From 177fbee9f5c38af03668c35775eeef0cfd40007a Mon Sep 17 00:00:00 2001 From: alexschuckert Date: Tue, 26 May 2026 08:21:09 +0100 Subject: [PATCH 01/23] feat(python-native): Rust shim for adaptive Pauli-Lindbladian time evolution Adds a LindbladSpec PyClass that exposes three primitives needed for direct Heisenberg-picture evolution of a generic Pauli Lindbladian (Hermitian Hamiltonian sum + Hermitian Pauli jumps) on an adaptive Pauli-string basis: - action(p): L*(p) for a single Pauli string - leakage(basis, coeffs): off-basis component of L*(Sum c_j p_j) - generator(basis): sparse generator matrix in COO form The hot path stores Pauli words as packed [u8; W] X/Z bit arrays and runs a single fused per-byte multiply that computes both r = h XOR p and the product phase in one pass. Active-site iteration (per-qubit inverted index of which H/jump terms touch each qubit) restricts the inner loop to non-trivially-acting terms; an action cache (DashMap, FxHash) memoises per-input contribution lists; rayon parallelises the basis loops. The numpy boundary takes uint8 code arrays (0=I 1=X 2=Z 3=Y) end-to-end, so the Python driver never builds per-row strings on the hot path. A thin Python wrapper (ppvm.Lindbladian) exposes both ndarray and string-keyed APIs for callers who don't need the ndarray fast path. End-to-end agreement with a pure-Python reference is within 1e-16 in max |Ck|. At L=51, kmax=1, dt=0.2, 20 steps, the shim runs in 17s vs 481s for the pure-Python adaptive driver (~28x), with the action cache and ndarray-native wrapper jointly responsible for the speedup over naive Rust. --- Cargo.lock | 66 +++ crates/ppvm-python-native/Cargo.toml | 4 + crates/ppvm-python-native/src/lib.rs | 5 + crates/ppvm-python-native/src/lindblad.rs | 616 ++++++++++++++++++++++ ppvm-python/src/ppvm/__init__.py | 1 + ppvm-python/src/ppvm/lindblad.py | 184 +++++++ 6 files changed, 876 insertions(+) create mode 100644 crates/ppvm-python-native/src/lindblad.rs create mode 100644 ppvm-python/src/ppvm/lindblad.py diff --git a/Cargo.lock b/Cargo.lock index ca746529b..9be389546 100644 --- a/Cargo.lock +++ b/Cargo.lock @@ -669,6 +669,16 @@ version = "0.4.28" source = "registry+https://github.com/rust-lang/crates.io-index" checksum = "34080505efa8e45a4b816c349525ebe327ceaa8559756f0356cba97ef3bf7432" +[[package]] +name = "matrixmultiply" +version = "0.3.10" +source = "registry+https://github.com/rust-lang/crates.io-index" +checksum = "a06de3016e9fae57a36fd14dba131fccf49f74b40b7fbdb472f96e361ec71a08" +dependencies = [ + "autocfg", + "rawpointer", +] + [[package]] name = "memchr" version = "2.7.6" @@ -684,6 +694,21 @@ dependencies = [ "autocfg", ] +[[package]] +name = "ndarray" +version = "0.17.2" +source = "registry+https://github.com/rust-lang/crates.io-index" +checksum = "520080814a7a6b4a6e9070823bb24b4531daac8c4627e08ba5de8c5ef2f2752d" +dependencies = [ + "matrixmultiply", + "num-complex", + "num-integer", + "num-traits", + "portable-atomic", + "portable-atomic-util", + "rawpointer", +] + [[package]] name = "num" version = "0.4.3" @@ -757,6 +782,22 @@ dependencies = [ "autocfg", ] +[[package]] +name = "numpy" +version = "0.27.1" +source = "registry+https://github.com/rust-lang/crates.io-index" +checksum = "7aac2e6a6e4468ffa092ad43c39b81c79196c2bb773b8db4085f695efe3bba17" +dependencies = [ + "libc", + "ndarray", + "num-complex", + "num-integer", + "num-traits", + "pyo3", + "pyo3-build-config", + "rustc-hash", +] + [[package]] name = "object" version = "0.37.3" @@ -831,6 +872,15 @@ version = "1.11.1" source = "registry+https://github.com/rust-lang/crates.io-index" checksum = "f84267b20a16ea918e43c6a88433c2d54fa145c92a811b5b047ccbe153674483" +[[package]] +name = "portable-atomic-util" +version = "0.2.7" +source = "registry+https://github.com/rust-lang/crates.io-index" +checksum = "c2a106d1259c23fac8e543272398ae0e3c0b8d33c88ed73d0cc71b0f1d902618" +dependencies = [ + "portable-atomic", +] + [[package]] name = "ppv-lite86" version = "0.2.21" @@ -856,12 +906,16 @@ name = "ppvm-python-native" version = "0.1.0" dependencies = [ "bnum", + "dashmap", + "fxhash", "num", + "numpy", "paste", "ppvm-runtime", "ppvm-stim", "ppvm-tableau", "pyo3", + "rayon", ] [[package]] @@ -1128,6 +1182,12 @@ dependencies = [ "rand_core 0.9.5", ] +[[package]] +name = "rawpointer" +version = "0.2.1" +source = "registry+https://github.com/rust-lang/crates.io-index" +checksum = "60a357793950651c4ed0f3f52338f53b2f809f32d83a07f72909fa13e4c6c1e3" + [[package]] name = "rayon" version = "1.11.0" @@ -1203,6 +1263,12 @@ version = "0.8.6" source = "registry+https://github.com/rust-lang/crates.io-index" checksum = "caf4aa5b0f434c91fe5c7f1ecb6a5ece2130b02ad2a590589dda5146df959001" +[[package]] +name = "rustc-hash" +version = "2.1.2" +source = "registry+https://github.com/rust-lang/crates.io-index" +checksum = "94300abf3f1ae2e2b8ffb7b58043de3d399c73fa6f4b73826402a5c457614dbe" + [[package]] name = "rustix" version = "1.1.2" diff --git a/crates/ppvm-python-native/Cargo.toml b/crates/ppvm-python-native/Cargo.toml index ce22f3de3..a4cf41084 100644 --- a/crates/ppvm-python-native/Cargo.toml +++ b/crates/ppvm-python-native/Cargo.toml @@ -10,9 +10,13 @@ crate-type = ["cdylib"] [dependencies] bnum = "0.13.0" +dashmap = "6.1.0" +fxhash = "0.2.1" num = "0.4.3" +numpy = "0.27" paste = "1.0.15" ppvm-runtime = { version = "0.1.0", path = "../ppvm-runtime" } ppvm-stim = { version = "0.1.0", path = "../ppvm-stim" } ppvm-tableau = { version = "0.1.0", path = "../ppvm-tableau" } pyo3 = { version = "0.27.0", features = ["multiple-pymethods"] } +rayon = "1.11" diff --git a/crates/ppvm-python-native/src/lib.rs b/crates/ppvm-python-native/src/lib.rs index 8924db9dc..9fd268994 100644 --- a/crates/ppvm-python-native/src/lib.rs +++ b/crates/ppvm-python-native/src/lib.rs @@ -5,6 +5,7 @@ use pyo3::prelude::*; pub mod interface; pub mod interface_tableau; +pub mod lindblad; pub mod stim_program; #[pymodule] @@ -148,4 +149,8 @@ pub mod ppvm_python_native { // Stim #[pymodule_export] pub use crate::stim_program::PyStimProgram; + + // Lindbladian time evolution shim + #[pymodule_export] + pub use crate::lindblad::LindbladSpec; } diff --git a/crates/ppvm-python-native/src/lindblad.rs b/crates/ppvm-python-native/src/lindblad.rs new file mode 100644 index 000000000..1a394c06d --- /dev/null +++ b/crates/ppvm-python-native/src/lindblad.rs @@ -0,0 +1,616 @@ +// SPDX-FileCopyrightText: 2026 The PPVM Authors +// SPDX-License-Identifier: Apache-2.0 + +//! Rust shim for direct Pauli-Lindbladian time evolution on an adaptive +//! Pauli-string basis. See `xy-experiments/main_k_adaptive.py` for the +//! Python driver that owns the linear algebra and basis adaptation. +//! +//! Given a Hermitian Pauli Hamiltonian `H = Σ c_i P_i` and Hermitian Pauli +//! jump operators `L_k` with rates `γ_k ≥ 0`, the adjoint Lindbladian acts +//! on an operator `p` (a single Pauli string) as +//! +//! ```text +//! L*(p) = i Σ_i c_i [P_i, p] + Σ_k γ_k (L_k p L_k − p). +//! ``` +//! +//! For Hermitian Pauli `P` and Hermitian Pauli `p`, the product `P · p` has +//! a phase in `{±1, ±i}`. Real phase ⇔ commute (no contribution to the +//! commutator); imaginary phase ⇔ anti-commute, in which case +//! `[P, p] = 2 P p` and `i · 2 P p ∈ {+2 r, −2 r}` where `r = P ⊕ p` (xz +//! bits XORed). Hermitian Pauli jumps give `L p L = ±p`: the anti-commuting +//! case contributes `−2 γ_k · p` (diagonal). +//! +//! The hot path bypasses the higher-level `PauliWord` / `PhasedPauliWord` +//! types because their `set()`/`rehash()` calls dominate when this code is +//! invoked O(10^5) times per evolution step. Each Pauli string is held as +//! a packed pair of bit arrays (`[u8; W]` for X-bits and `[u8; W]` for +//! Z-bits) and we run a single fused multiply that produces both the +//! product phase and the XOR'd output in one byte-level pass. + +use dashmap::DashMap; +use fxhash::{FxBuildHasher, FxHashMap}; +use numpy::{IntoPyArray, PyArray1, PyArray2, PyArrayMethods, PyReadonlyArray1, PyReadonlyArray2}; +use pyo3::{exceptions::PyValueError, prelude::*}; +use rayon::prelude::*; + +/// Bytes per X / Z bit array. 16 bytes = 128 bits, covers up to 128 qubits. +const W: usize = 16; + +/// Packed key: first `W` bytes are the X-bit array, next `W` bytes are the +/// Z-bit array. Equality and hashing are over the 32 raw bytes. +#[derive(Clone, Copy, PartialEq, Eq, Hash)] +struct Word { + x: [u8; W], + z: [u8; W], +} + +impl Word { + #[inline(always)] + fn zero() -> Self { + Self { + x: [0; W], + z: [0; W], + } + } +} + +/// Parsed Hamiltonian or jump term: the packed Pauli word and its real +/// coefficient (or rate, for a jump). +#[derive(Clone)] +struct Term { + word: Word, + coeff: f64, +} + +/// `(out_basis, out_coeffs)` — packed Pauli rows + their real coefficients. +type PyPauliMap<'py> = (Bound<'py, PyArray2>, Bound<'py, PyArray1>); +/// `(rows, cols, vals)` — COO triplets for a real sparse matrix. +type PyCoo<'py> = ( + Bound<'py, PyArray1>, + Bound<'py, PyArray1>, + Bound<'py, PyArray1>, +); + +/// Precompiled Lindbladian. Constructed once from string-form Hamiltonian +/// terms + jump operators; reused across many calls to `action`, +/// `leakage`, `generator`. +/// +/// `action_cache` memoises the per-input contribution list, the Rust +/// analogue of the `@lru_cache(None)` in the original Python driver. +/// Without it, every `leakage`/`generator` call re-derives the same +/// `L*(p)` from scratch for the same Pauli strings. +#[pyclass] +pub struct LindbladSpec { + n_qubits: usize, + h_terms: Vec, + j_terms: Vec, + /// `h_support[q]` = indices of Hamiltonian terms acting on qubit `q`. + h_support: Vec>, + /// `j_support[q]` = indices of jump operators acting on qubit `q`. + j_support: Vec>, + /// `action_cache[p]` = unscaled list of `(output_word, contribution)` + /// pairs from `L*(p)` excluding the input coefficient. Callers + /// multiply through by `scale` at the use site. + action_cache: DashMap, FxBuildHasher>, +} + +// ────────────────── codec helpers ────────────────── + +/// Set qubit `q` of `w` to the Pauli encoded by code `b ∈ {0,1,2,3}`. +/// 0 = I, 1 = X, 2 = Z, 3 = Y. (Bit layout: x = b & 1, z = (b >> 1) & 1.) +#[inline(always)] +fn set_code(w: &mut Word, q: usize, b: u8) { + let byte = q >> 3; + let mask = 1u8 << (q & 7); + if b & 1 != 0 { + w.x[byte] |= mask; + } + if b & 2 != 0 { + w.z[byte] |= mask; + } +} + +/// Inverse of `set_code`: read qubit `q` of `w` and return the Pauli code. +#[inline(always)] +fn get_code(w: &Word, q: usize) -> u8 { + let byte = q >> 3; + let mask = 1u8 << (q & 7); + let xb = ((w.x[byte] & mask) != 0) as u8; + let zb = ((w.z[byte] & mask) != 0) as u8; + xb | (zb << 1) +} + +/// Decode a row of `n_qubits` Pauli codes into a `Word`. +fn word_from_codes(codes: &[u8], n_qubits: usize) -> PyResult { + if codes.len() != n_qubits { + return Err(PyValueError::new_err(format!( + "Expected {n_qubits} Pauli codes per row, got {}", + codes.len() + ))); + } + let mut w = Word::zero(); + for (q, &b) in codes.iter().enumerate() { + if b > 3 { + return Err(PyValueError::new_err(format!( + "Pauli code must be 0 (I), 1 (X), 2 (Z), or 3 (Y); got {b}" + ))); + } + if b != 0 { + set_code(&mut w, q, b); + } + } + Ok(w) +} + +/// Write `w` into `out` as `n_qubits` Pauli codes (one byte each). +fn codes_from_word(w: &Word, n_qubits: usize, out: &mut [u8]) { + debug_assert_eq!(out.len(), n_qubits); + for (q, slot) in out.iter_mut().take(n_qubits).enumerate() { + *slot = get_code(w, q); + } +} + +/// Parse a string `"IXYZ..."` into a `Word` and the list of qubits where +/// the Pauli is non-identity (the term's support). +fn parse_term(s: &str, n_qubits: usize) -> PyResult<(Word, Vec)> { + let chars: Vec = s.chars().filter(|c| *c != '_').collect(); + if chars.len() != n_qubits { + return Err(PyValueError::new_err(format!( + "Pauli string \"{s}\" has length {} but n_qubits = {n_qubits}", + chars.len() + ))); + } + if n_qubits > 8 * W { + return Err(PyValueError::new_err(format!( + "LindbladSpec supports n_qubits ≤ {}; got {n_qubits}", + 8 * W + ))); + } + let mut word = Word::zero(); + let mut support: Vec = Vec::new(); + for (q, c) in chars.into_iter().enumerate() { + let code: u8 = match c { + 'I' => 0, + 'X' => 1, + 'Z' => 2, + 'Y' => 3, + other => { + return Err(PyValueError::new_err(format!( + "Invalid Pauli character '{other}' in \"{s}\"" + ))); + } + }; + if code != 0 { + set_code(&mut word, q, code); + support.push(q as u32); + } + } + Ok((word, support)) +} + +// ────────────────── algebra helpers ────────────────── + +/// `true` if Pauli words `a` and `b` anti-commute. +/// +/// Two Pauli strings anti-commute iff +/// `popcount(a.x & b.z) + popcount(a.z & b.x)` is odd. +#[inline(always)] +fn anti_commutes(a: &Word, b: &Word) -> bool { + let mut bits: u32 = 0; + for i in 0..W { + bits += (a.x[i] & b.z[i]).count_ones(); + bits += (a.z[i] & b.x[i]).count_ones(); + } + bits & 1 == 1 +} + +/// Fused product `h · p`: returns `(out, eps)` where `out.x = h.x ^ p.x`, +/// `out.z = h.z ^ p.z`, and +/// +/// - `eps = 0` if `h` and `p` commute (caller should skip — `[h,p] = 0`), +/// - `eps = -2.0` if `h·p` has phase `+i` (so `i·[h,p] = -2·out`), +/// - `eps = +2.0` if `h·p` has phase `-i` (so `i·[h,p] = +2·out`). +/// +/// Phase = `(2·sign_count + imag_count) mod 4`, where the per-byte XOR/AND +/// formulas are the same ones used by `PhasedPauliWord::mul_assign`. +#[inline(always)] +fn comm_product(h: &Word, p: &Word) -> (Word, f64) { + let mut out = Word::zero(); + let mut sign_count: u32 = 0; + let mut imag_count: u32 = 0; + for i in 0..W { + let a = h.x[i]; + let b = h.z[i]; + let c = p.x[i]; + let d = p.z[i]; + let sign = (a & b & c & !d) | (a & !b & !c & d) | (!a & b & c & d); + let imag = (a & !b & d) | (a & !c & d) | (!a & b & c) | (b & c & !d); + sign_count += sign.count_ones(); + imag_count += imag.count_ones(); + out.x[i] = a ^ c; + out.z[i] = b ^ d; + } + let phase = (2 * sign_count + imag_count) & 3; + let eps = match phase { + 1 => -2.0, + 3 => 2.0, + _ => 0.0, + }; + (out, eps) +} + +/// Union of `index[q]` for each `q ∈ p_support`, deduped. +#[inline] +fn candidate_terms(p_support: &[u32], index: &[Vec], scratch: &mut Vec) { + scratch.clear(); + for &q in p_support { + scratch.extend_from_slice(&index[q as usize]); + } + scratch.sort_unstable(); + scratch.dedup(); +} + +/// Find qubits where `p` is non-identity (the support of `p`). +#[inline] +fn word_support(p: &Word, n_qubits: usize, out: &mut Vec) { + out.clear(); + for q in 0..n_qubits { + let byte = q >> 3; + let mask = 1u8 << (q & 7); + if (p.x[byte] | p.z[byte]) & mask != 0 { + out.push(q as u32); + } + } +} + +/// Compute the unscaled list of `(output, coefficient)` pairs that +/// `L*(p)` would contribute, without the input coefficient. Used by +/// `cached_action` to populate the cache. The scratch buffers are +/// allocated by the caller so this is allocation-light per p. +fn compute_action_terms( + spec: &LindbladSpec, + p: &Word, + scratch_support: &mut Vec, + scratch_cands: &mut Vec, +) -> Vec<(Word, f64)> { + word_support(p, spec.n_qubits, scratch_support); + // Aggregate within a small local map; for typical action sizes the + // overhead of FxHashMap is dwarfed by the dedup it provides. + let mut local: FxHashMap = FxHashMap::default(); + + // Hamiltonian (off-diagonal) terms + candidate_terms(scratch_support, &spec.h_support, scratch_cands); + for &i in scratch_cands.iter() { + let h = &spec.h_terms[i as usize]; + let (r, eps) = comm_product(&h.word, p); + if eps != 0.0 { + *local.entry(r).or_insert(0.0) += h.coeff * eps; + } + } + + // Jump (diagonal) terms — single diagonal entry on `p`. + candidate_terms(scratch_support, &spec.j_support, scratch_cands); + let mut diag: f64 = 0.0; + for &k in scratch_cands.iter() { + let j = &spec.j_terms[k as usize]; + if anti_commutes(&j.word, p) { + diag += -2.0 * j.coeff; + } + } + if diag != 0.0 { + *local.entry(*p).or_insert(0.0) += diag; + } + + local.into_iter().collect() +} + +/// Accumulate `scale · L*(p)` into `out`, hitting the cache when warm. +fn accumulate_action( + spec: &LindbladSpec, + p: &Word, + scale: f64, + out: &mut FxHashMap, + scratch_support: &mut Vec, + scratch_cands: &mut Vec, +) { + if let Some(r) = spec.action_cache.get(p) { + for (w, c) in r.value().iter() { + *out.entry(*w).or_insert(0.0) += scale * c; + } + return; + } + // Compute, install in cache, and accumulate. + let terms = compute_action_terms(spec, p, scratch_support, scratch_cands); + for (w, c) in terms.iter() { + *out.entry(*w).or_insert(0.0) += scale * c; + } + // If a concurrent task raced and inserted first, the recomputed + // value is identical so the overwrite is harmless. + spec.action_cache.insert(*p, terms); +} + +/// Decode a `(N, n_qubits)` uint8 ndarray view into `N` packed `Word`s. +fn decode_basis(view: &numpy::ndarray::ArrayView2, n_qubits: usize) -> PyResult> { + let n_basis = view.shape()[0]; + let mut out: Vec = Vec::with_capacity(n_basis); + for i in 0..n_basis { + let row = view.row(i); + let mut w = Word::zero(); + for q in 0..n_qubits { + let b = row[q]; + if b > 3 { + return Err(PyValueError::new_err(format!( + "Pauli code must be 0-3; got {b} at row {i}, col {q}" + ))); + } + if b != 0 { + set_code(&mut w, q, b); + } + } + out.push(w); + } + Ok(out) +} + +// ────────────────── PyClass ────────────────── + +#[pymethods] +impl LindbladSpec { + #[new] + #[pyo3(signature = (n_qubits, h_terms, h_coeffs, jump_terms, jump_rates))] + fn new( + n_qubits: usize, + h_terms: Vec, + h_coeffs: Vec, + jump_terms: Vec, + jump_rates: Vec, + ) -> PyResult { + if n_qubits > 8 * W { + return Err(PyValueError::new_err(format!( + "LindbladSpec supports n_qubits ≤ {}; got {n_qubits}", + 8 * W + ))); + } + if h_terms.len() != h_coeffs.len() { + return Err(PyValueError::new_err( + "h_terms and h_coeffs must have the same length", + )); + } + if jump_terms.len() != jump_rates.len() { + return Err(PyValueError::new_err( + "jump_terms and jump_rates must have the same length", + )); + } + + let mut h: Vec = Vec::with_capacity(h_terms.len()); + let mut h_support_idx: Vec> = vec![Vec::new(); n_qubits]; + for (i, (s, c)) in h_terms.iter().zip(h_coeffs.iter()).enumerate() { + let (word, support) = parse_term(s, n_qubits)?; + for q in support { + h_support_idx[q as usize].push(i as u32); + } + h.push(Term { word, coeff: *c }); + } + + let mut j: Vec = Vec::with_capacity(jump_terms.len()); + let mut j_support_idx: Vec> = vec![Vec::new(); n_qubits]; + for (k, (s, g)) in jump_terms.iter().zip(jump_rates.iter()).enumerate() { + let (word, support) = parse_term(s, n_qubits)?; + for q in support { + j_support_idx[q as usize].push(k as u32); + } + j.push(Term { word, coeff: *g }); + } + + Ok(Self { + n_qubits, + h_terms: h, + j_terms: j, + h_support: h_support_idx, + j_support: j_support_idx, + action_cache: DashMap::with_hasher(FxBuildHasher::default()), + }) + } + + /// Drop all memoised `L*(p)` entries. Useful between independent + /// problems sharing the same spec but acting on disjoint Pauli sets. + fn clear_cache(&self) { + self.action_cache.clear(); + } + + #[getter] + fn cache_size(&self) -> usize { + self.action_cache.len() + } + + #[getter] + fn n_qubits(&self) -> usize { + self.n_qubits + } + + #[getter] + fn num_h_terms(&self) -> usize { + self.h_terms.len() + } + + #[getter] + fn num_jump_terms(&self) -> usize { + self.j_terms.len() + } + + /// Apply `L*` to a single Pauli string `p`. + fn action<'py>( + &self, + py: Python<'py>, + p: PyReadonlyArray1<'py, u8>, + ) -> PyResult> { + let p_slice = p.as_slice()?; + let p_word = word_from_codes(p_slice, self.n_qubits)?; + let mut out: FxHashMap = FxHashMap::default(); + let mut s1 = Vec::new(); + let mut s2 = Vec::new(); + accumulate_action(self, &p_word, 1.0, &mut out, &mut s1, &mut s2); + + let m = out.len(); + let n = self.n_qubits; + let mut basis = vec![0u8; m * n]; + let mut coeffs = vec![0f64; m]; + for (i, (w, c)) in out.into_iter().enumerate() { + codes_from_word(&w, n, &mut basis[i * n..(i + 1) * n]); + coeffs[i] = c; + } + let basis_arr = basis + .into_pyarray(py) + .reshape([m, n]) + .map_err(|e| PyValueError::new_err(format!("reshape failed: {e}")))?; + Ok((basis_arr, coeffs.into_pyarray(py))) + } + + /// Off-basis component of `L*( Σ_j coeffs[j] · basis[j] )`. + /// + /// `basis` is `(N, n_qubits)` uint8 Pauli codes; `coeffs` is length-N + /// float64. Returns `(out_basis, out_coeffs)` with output Paulis NOT + /// in `basis` (and not in `protected`, if given). + #[pyo3(signature = (basis, coeffs, protected = None))] + fn leakage<'py>( + &self, + py: Python<'py>, + basis: PyReadonlyArray2<'py, u8>, + coeffs: PyReadonlyArray1<'py, f64>, + protected: Option>, + ) -> PyResult> { + let basis_view = basis.as_array(); + let coeffs_view = coeffs.as_slice()?; + let (n_basis, n_q) = (basis_view.shape()[0], basis_view.shape()[1]); + if n_q != self.n_qubits { + return Err(PyValueError::new_err(format!( + "basis has {n_q} columns but spec.n_qubits = {}", + self.n_qubits + ))); + } + if coeffs_view.len() != n_basis { + return Err(PyValueError::new_err(format!( + "coeffs has length {} but basis has {n_basis} rows", + coeffs_view.len() + ))); + } + + let basis_words = decode_basis(&basis_view, self.n_qubits)?; + let in_basis: FxHashMap = basis_words.iter().map(|w| (*w, ())).collect(); + + let protected_set: FxHashMap = if let Some(ref prot) = protected { + let pv = prot.as_array(); + if pv.shape()[1] != self.n_qubits { + return Err(PyValueError::new_err(format!( + "protected has {} columns but spec.n_qubits = {}", + pv.shape()[1], + self.n_qubits + ))); + } + let words = decode_basis(&pv, self.n_qubits)?; + words.into_iter().map(|w| (w, ())).collect() + } else { + FxHashMap::default() + }; + + let local: Vec> = basis_words + .par_iter() + .zip(coeffs_view.par_iter()) + .map(|(p, &c)| { + let mut m: FxHashMap = FxHashMap::default(); + let mut s1 = Vec::new(); + let mut s2 = Vec::new(); + accumulate_action(self, p, c, &mut m, &mut s1, &mut s2); + m + }) + .collect(); + + let mut merged: FxHashMap = FxHashMap::default(); + for m in local { + for (k, v) in m { + if in_basis.contains_key(&k) || protected_set.contains_key(&k) { + continue; + } + *merged.entry(k).or_insert(0.0) += v; + } + } + + let m = merged.len(); + let n = self.n_qubits; + let mut out_basis = vec![0u8; m * n]; + let mut out_coeffs = vec![0f64; m]; + for (i, (w, c)) in merged.into_iter().enumerate() { + codes_from_word(&w, n, &mut out_basis[i * n..(i + 1) * n]); + out_coeffs[i] = c; + } + let basis_arr = out_basis + .into_pyarray(py) + .reshape([m, n]) + .map_err(|e| PyValueError::new_err(format!("reshape failed: {e}")))?; + Ok((basis_arr, out_coeffs.into_pyarray(py))) + } + + /// Sparse generator matrix in COO form: returns `(rows, cols, vals)` + /// that the caller wraps with scipy. + /// + /// Row index = output Pauli's position in `basis`; col index = input + /// Pauli's position. Output Paulis not in `basis` are silently + /// dropped (handled by `leakage`). + fn generator<'py>( + &self, + py: Python<'py>, + basis: PyReadonlyArray2<'py, u8>, + ) -> PyResult> { + let basis_view = basis.as_array(); + let n_q = basis_view.shape()[1]; + if n_q != self.n_qubits { + return Err(PyValueError::new_err(format!( + "basis has {n_q} columns but spec.n_qubits = {}", + self.n_qubits + ))); + } + + let basis_words = decode_basis(&basis_view, self.n_qubits)?; + let index: FxHashMap = basis_words + .iter() + .enumerate() + .map(|(i, w)| (*w, i as u32)) + .collect(); + + let local: Vec> = basis_words + .par_iter() + .enumerate() + .map(|(col, p)| { + let mut m: FxHashMap = FxHashMap::default(); + let mut s1 = Vec::new(); + let mut s2 = Vec::new(); + accumulate_action(self, p, 1.0, &mut m, &mut s1, &mut s2); + let mut out = Vec::with_capacity(m.len()); + for (w, v) in m { + if let Some(&row) = index.get(&w) { + out.push((row as u64, col as u64, v)); + } + } + out + }) + .collect(); + + let total: usize = local.iter().map(|v| v.len()).sum(); + let mut rows = Vec::with_capacity(total); + let mut cols = Vec::with_capacity(total); + let mut vals = Vec::with_capacity(total); + for trips in local { + for (r, c, v) in trips { + rows.push(r); + cols.push(c); + vals.push(v); + } + } + + Ok(( + rows.into_pyarray(py), + cols.into_pyarray(py), + vals.into_pyarray(py), + )) + } +} diff --git a/ppvm-python/src/ppvm/__init__.py b/ppvm-python/src/ppvm/__init__.py index f28072849..246531d1b 100644 --- a/ppvm-python/src/ppvm/__init__.py +++ b/ppvm-python/src/ppvm/__init__.py @@ -6,6 +6,7 @@ from .generalized_tableau import GeneralizedTableau as GeneralizedTableau from .generalized_tableau import MeasurementResult as MeasurementResult from .generalized_tableau import sample_stim as sample_stim +from .lindblad import Lindbladian as Lindbladian from .paulisum import LossyPauliSum as LossyPauliSum from .paulisum import PauliSum as PauliSum from .squin_interpreter.device import ( diff --git a/ppvm-python/src/ppvm/lindblad.py b/ppvm-python/src/ppvm/lindblad.py new file mode 100644 index 000000000..352c055b9 --- /dev/null +++ b/ppvm-python/src/ppvm/lindblad.py @@ -0,0 +1,184 @@ +# SPDX-FileCopyrightText: 2026 The PPVM Authors +# SPDX-License-Identifier: Apache-2.0 +"""Direct Pauli-Lindbladian time evolution on an adaptive Pauli-string basis. + +Given a Hermitian Pauli Hamiltonian H = Σ c_i P_i and Hermitian Pauli jump +operators L_k with rates γ_k ≥ 0, this module exposes three primitives +needed for adaptive Heisenberg-picture evolution: + +- ``action(p)`` / ``action_arr(p)``: L*(p) for one Pauli string p +- ``leakage(basis, coeffs)`` / ``leakage_arr(...)``: off-basis component of + L*(Σ c_j p_j), driving basis expansion +- ``generator(basis)``: scipy CSC matrix M such that L* restricted to + ``basis`` is ``M @ coeffs`` + +The ``*_arr`` variants pass Pauli strings as ``(N, n_qubits)`` ``uint8`` +arrays of Pauli codes (``0=I, 1=X, 2=Z, 3=Y``) and skip string +construction entirely — at ~10^5 basis rows per evolution step, per-row +``str.join`` dominates wall time. +""" + +from __future__ import annotations + +from collections.abc import Iterable, Sequence + +import numpy as np +import scipy.sparse as sp +from ppvm_python_native import LindbladSpec as _LindbladSpec + +_PAULI_CODE = {"I": 0, "X": 1, "Z": 2, "Y": 3} +# Lookup table mapping code -> ASCII byte for vectorised string output. +_CODE_TO_ASCII = np.array([ord("I"), ord("X"), ord("Z"), ord("Y")], dtype=np.uint8) + + +def string_to_codes(s: str, n_qubits: int) -> np.ndarray: + """Encode a Pauli string ``"IXYZ..."`` as a length-``n_qubits`` uint8 array.""" + if len(s) != n_qubits: + raise ValueError(f"Pauli string {s!r} has length {len(s)} != n_qubits {n_qubits}") + return np.array([_PAULI_CODE[c] for c in s], dtype=np.uint8) + + +def codes_to_string(codes: np.ndarray) -> str: + """Decode one length-``n_qubits`` row of Pauli codes back to a string.""" + return _CODE_TO_ASCII[codes].tobytes().decode("ascii") + + +def basis_to_codes(basis: Sequence[str], n_qubits: int) -> np.ndarray: + """Stack a sequence of Pauli strings into an ``(N, n_qubits)`` uint8 array.""" + arr = np.zeros((len(basis), n_qubits), dtype=np.uint8) + for i, s in enumerate(basis): + arr[i] = string_to_codes(s, n_qubits) + return arr + + +def codes_to_basis(arr: np.ndarray) -> list[str]: + """Inverse of :func:`basis_to_codes`. One call into C per row.""" + bytes_per_row = _CODE_TO_ASCII[arr].tobytes() + n = arr.shape[1] + return [bytes_per_row[i * n : (i + 1) * n].decode("ascii") for i in range(arr.shape[0])] + + +class Lindbladian: + """Pre-compiled adjoint Pauli-Lindbladian acting on Pauli strings. + + Parameters + ---------- + n_qubits: + Number of qubits. + h_terms: + Iterable of ``(pauli_string, coefficient)`` pairs for the + Hermitian Hamiltonian ``H = Σ c_i P_i``. Each ``pauli_string`` is + a length-``n_qubits`` ``str`` over ``"IXYZ"``. + jump_terms: + Iterable of ``(pauli_string, rate)`` pairs for the Hermitian Pauli + jump operators ``L_k`` with non-negative rates ``γ_k``. + """ + + def __init__( + self, + n_qubits: int, + h_terms: Iterable[tuple[str, float]], + jump_terms: Iterable[tuple[str, float]] = (), + ): + self.n_qubits = int(n_qubits) + h_strs: list[str] = [] + h_coeffs: list[float] = [] + for s, c in h_terms: + h_strs.append(s) + h_coeffs.append(float(c)) + j_strs: list[str] = [] + j_rates: list[float] = [] + for s, g in jump_terms: + j_strs.append(s) + j_rates.append(float(g)) + self._spec = _LindbladSpec(self.n_qubits, h_strs, h_coeffs, j_strs, j_rates) + + @property + def num_h_terms(self) -> int: + return self._spec.num_h_terms + + @property + def num_jump_terms(self) -> int: + return self._spec.num_jump_terms + + @property + def cache_size(self) -> int: + return self._spec.cache_size + + def clear_cache(self) -> None: + self._spec.clear_cache() + + # ── Pure-ndarray hot path ── + + def action_arr(self, p: np.ndarray) -> tuple[np.ndarray, np.ndarray]: + """Apply ``L*`` to a single Pauli string given as uint8 codes. + + Returns ``(out_basis, out_coeffs)``: a ``(M, n_qubits)`` uint8 + array and a length-``M`` float64 array. + """ + return self._spec.action(np.ascontiguousarray(p, dtype=np.uint8)) + + def leakage_arr( + self, + basis_arr: np.ndarray, + coeffs: np.ndarray, + protected_arr: np.ndarray | None = None, + ) -> tuple[np.ndarray, np.ndarray]: + """Off-basis component of ``L*( Σ_j coeffs[j] basis[j] )``. + + ``basis_arr``: ``(N, n_qubits)`` uint8. ``coeffs``: length-N float64. + ``protected_arr``: optional ``(K, n_qubits)`` uint8 of Pauli strings + that must NEVER appear in the leakage output. + + Returns ``(out_basis, out_coeffs)`` packed the same way as + :meth:`action_arr`. + """ + n = self.n_qubits + if protected_arr is None: + protected_arr = np.zeros((0, n), dtype=np.uint8) + return self._spec.leakage( + np.ascontiguousarray(basis_arr, dtype=np.uint8), + np.ascontiguousarray(coeffs, dtype=np.float64), + np.ascontiguousarray(protected_arr, dtype=np.uint8), + ) + + def generator_arr(self, basis_arr: np.ndarray) -> sp.csc_matrix: + """Sparse generator matrix in CSC form, basis given as uint8 codes.""" + n_basis = basis_arr.shape[0] + rows, cols, vals = self._spec.generator(np.ascontiguousarray(basis_arr, dtype=np.uint8)) + return sp.coo_matrix((vals, (rows, cols)), shape=(n_basis, n_basis)).tocsc() + + # ── String-keyed convenience API (slower; for tests / display) ── + + def action(self, p: str) -> dict[str, float]: + """Apply ``L*`` to a single Pauli string ``p`` (string-keyed dict).""" + codes = string_to_codes(p, self.n_qubits) + out_basis, out_coeffs = self._spec.action(codes) + keys = codes_to_basis(out_basis) + return {k: float(v) for k, v in zip(keys, out_coeffs) if v != 0.0} + + def leakage( + self, + basis: Sequence[str], + coeffs: np.ndarray, + protected: Sequence[str] | None = None, + ) -> dict[str, float]: + """Off-basis leakage as a ``dict[str, float]`` (slower API).""" + n = self.n_qubits + basis_arr = basis_to_codes(basis, n) + protected_arr = ( + basis_to_codes(list(protected), n) if protected else np.zeros((0, n), dtype=np.uint8) + ) + out_basis, out_coeffs = self._spec.leakage( + basis_arr, + np.ascontiguousarray(coeffs, dtype=np.float64), + protected_arr, + ) + keys = codes_to_basis(out_basis) + return {k: float(v) for k, v in zip(keys, out_coeffs) if v != 0.0} + + def generator(self, basis: Sequence[str]) -> sp.csc_matrix: + """Sparse generator matrix in CSC form, basis given as strings.""" + n = self.n_qubits + basis_arr = basis_to_codes(basis, n) + return self.generator_arr(basis_arr) From 962ba18909b2fefcb5faf3128735c06ac1cdaf89 Mon Sep 17 00:00:00 2001 From: alexschuckert Date: Wed, 27 May 2026 21:11:23 +0100 Subject: [PATCH 02/23] feat(python): adaptive Lindbladian demo, shim tests, lazy SciPy - demo/lindblad_adaptive.py: adaptive Pauli-Lindbladian time evolution on a leakage-grown Pauli-string basis (all-to-all XY + single-site Z dephasing), with an optional predictor-corrector (lifts the dt-error from O(dt^2) to O(dt^3)) and a discarded-weight a-posteriori error monitor. Exercises ppvm.Lindbladian (action / leakage / generator) end to end. - test/test_lindblad.py: cross-check action / leakage / generator / the protected set against an independent dense Pauli-multiplication-table reference, on XY+Z-dephasing and TFIM+X-dephasing Lindbladians. - Declare numpy as a runtime dependency (the shim wrapper uses it) and import SciPy lazily inside generator()/generator_arr(); `import ppvm` and the action/leakage primitives no longer require SciPy -- only the sparse-matrix convenience does. --- ppvm-python/demo/lindblad_adaptive.py | 260 ++++++++++++++++++++++++++ ppvm-python/pyproject.toml | 1 + ppvm-python/src/ppvm/lindblad.py | 13 +- ppvm-python/test/test_lindblad.py | 209 +++++++++++++++++++++ ppvm-python/uv.lock | 2 + 5 files changed, 483 insertions(+), 2 deletions(-) create mode 100644 ppvm-python/demo/lindblad_adaptive.py create mode 100644 ppvm-python/test/test_lindblad.py diff --git a/ppvm-python/demo/lindblad_adaptive.py b/ppvm-python/demo/lindblad_adaptive.py new file mode 100644 index 000000000..9c2f040fc --- /dev/null +++ b/ppvm-python/demo/lindblad_adaptive.py @@ -0,0 +1,260 @@ +# SPDX-FileCopyrightText: 2026 The PPVM Authors +# SPDX-License-Identifier: Apache-2.0 +"""Adaptive Pauli-Lindbladian time evolution on a growing Pauli-string basis. + +Demonstrates ``ppvm.Lindbladian``: direct Heisenberg-picture evolution of a +transport observable under a generic Pauli-Lindbladian -- here an all-to-all +XY model (Kac-normalised 1/r^alpha) with single-site Z dephasing -- *without* +Trotterisation. The observable is kept as a sum over a finite set of Pauli +strings (the "basis"), and each step: + + 1. measures the leakage (1 - P_B) L*(O) out of the current basis B; + 2. adds the leakage strings above ``add_tol`` to B; + 3. advances the coefficient vector by exp(dt * M), where + M = P_B L* P_B is the Lindbladian restricted to B + (scipy.sparse.linalg.expm_multiply on the sparse generator); + 4. prunes coefficients below ``drop_tol`` (a protected set -- the target + observable's own support -- is never dropped). + +The matrix exponential is exact in dt within the basis, so there is no +Trotter splitting error; the only approximation is the finite basis, whose +adequacy is monitored by the cumulative discarded weight. + +``--predictor_corrector 1`` additionally enriches B with the strings the +predictor step flows into and redoes the step, lifting the adaptive- +integration error from O(dt^2) to O(dt^3) at the cost of one extra matrix +exponential per step. + +The observable is the single-Z Fourier mode O_k = sum_j cos(k x_j) Z_j; its +decay C_k(t) = / is the (infinite-temperature) +spin transport coefficient at momentum k. + +Run, e.g.:: + + python lindblad_adaptive.py --L 12 --kmax 2 --steps 20 --dt 0.1 + python lindblad_adaptive.py --L 12 --kmax 2 --predictor_corrector 1 +""" + +from argparse import ArgumentParser + +import numpy as np +from scipy.sparse.linalg import expm_multiply + +from ppvm import Lindbladian + +CONSTANTS = dict( + L=8, alpha=3.0, gamma=0.1, dt=0.05, steps=20, kmax=3, + add_tol=1e-8, drop_tol=1e-10, max_pauli_weight=0, + max_basis=0, predictor_corrector=0, out="", +) +p = ArgumentParser(description=__doc__.splitlines()[0]) +for key, val in CONSTANTS.items(): + p.add_argument(f"--{key}", type=type(val), default=val) +c = p.parse_args() +if c.max_pauli_weight == 0: + c.max_pauli_weight = c.L + +pairs = [(a, b, min(b - a, c.L - b + a)) for a in range(c.L) for b in range(a + 1, c.L)] +kac = sum(1 / r**c.alpha for _, _, r in pairs) / c.L +pairs = [(a, b, 1 / kac / r**c.alpha) for a, b, r in pairs] +times = np.arange(c.steps + 1) * c.dt +n = np.arange(1, c.kmax + 1) +k_modes = 2 * np.pi * n / c.L +x = (np.arange(c.L) - c.L // 2 + c.L // 2) % c.L - c.L // 2 + + +def zterm_codes(j): + """Z on site j as a length-L array of Pauli codes (0=I, 1=X, 2=Z, 3=Y).""" + row = np.zeros(c.L, dtype=np.uint8) + row[j] = 2 # Z + return row + + +def build_hamiltonian_and_jumps(): + """All-to-all XY Hamiltonian H = sum_{a c.drop_tol: + target_rows.append(zterm_codes(j)) + target_coeffs.append(coef) + basis_arr = np.array(target_rows, dtype=np.uint8) + coeff = np.array(target_coeffs, dtype=float) + target_arr = basis_arr.copy() + target_coeff_arr = coeff.copy() + protected_arr = basis_arr.copy() # never dropped, never emitted as leakage + protected_keys = {row.tobytes() for row in protected_arr} + index = {row.tobytes(): i for i, row in enumerate(basis_arr)} + Ck0[m] = float(np.dot(coeff, coeff)) + norm_target = np.sqrt(Ck0[m]) + + L_op.clear_cache() # action cache is per-k since each k starts a fresh basis + + for nt in range(c.steps + 1): + ck_t = 0.0 + for trow, tc in zip(target_arr, target_coeff_arr): + idx = index.get(trow.tobytes()) + if idx is not None: + ck_t += coeff[idx] * tc + Ck[nt, m] = ck_t / Ck0[m] + n_basis[nt, m] = len(basis_arr) + max_weight[nt, m] = int(weights_of(basis_arr).max()) + if nt == c.steps: + break + + # Leakage out of the basis; the part below add_tol is irrecoverably + # discarded this step (rate_before), the rest is added to the basis. + leak_basis, leak_coeffs = L_op.leakage_arr(basis_arr, coeff, protected_arr) + if len(leak_coeffs): + lw = weights_of(leak_basis) + add_mask = (np.abs(leak_coeffs) > c.add_tol) & (lw <= c.max_pauli_weight) + rate_before = float(np.linalg.norm(leak_coeffs[~add_mask])) + if add_mask.any(): + cand = leak_basis[add_mask] + cand_abs = np.abs(leak_coeffs[add_mask]) + cand = cand[np.argsort(cand_abs)[::-1]] + cand = cand[dedup_against(cand, index)] + if c.max_basis: + cand = cand[: max(c.max_basis - len(basis_arr), 0)] + if len(cand): + n0 = len(basis_arr) + basis_arr = np.vstack([basis_arr, cand]) + coeff = np.r_[coeff, np.zeros(len(cand))] + for i, row in enumerate(cand): + index[row.tobytes()] = n0 + i + else: + rate_before = 0.0 + + # Predictor: advance the restricted generator (exact in dt). + coeff_t = coeff.copy() + coeff = expm_multiply(c.dt * L_op.generator_arr(basis_arr), coeff) + + if c.predictor_corrector: + # Enrich with the predictor's second-hop strings and redo the step + # from the time-t state on the enriched basis (dt^2 -> dt^3). + lb2, lc2 = L_op.leakage_arr(basis_arr, coeff, protected_arr) + if len(lc2): + w2 = weights_of(lb2) + am2 = (np.abs(lc2) > c.add_tol) & (w2 <= c.max_pauli_weight) + if am2.any(): + cand2 = lb2[am2] + cand2 = cand2[dedup_against(cand2, index)] + if c.max_basis: + cand2 = cand2[: max(c.max_basis - len(basis_arr), 0)] + if len(cand2): + n0 = len(basis_arr) + basis_arr = np.vstack([basis_arr, cand2]) + coeff_t = np.r_[coeff_t, np.zeros(len(cand2))] + for i, row in enumerate(cand2): + index[row.tobytes()] = n0 + i + coeff = expm_multiply( + c.dt * L_op.generator_arr(basis_arr), coeff_t + ) + + w_pre = float(np.dot(coeff, coeff)) + _, leak_after = L_op.leakage_arr(basis_arr, coeff, protected_arr) + rate_after = float(np.linalg.norm(leak_after)) if len(leak_after) else 0.0 + + keep = np.array( + [(row.tobytes() in protected_keys) or (abs(v) >= c.drop_tol) + for row, v in zip(basis_arr, coeff)] + ) + basis_arr, coeff, index, protected_keys = compress( + basis_arr, coeff, protected_keys, keep + ) + basis_arr, coeff, index, protected_keys, _ = cap_basis( + basis_arr, coeff, index, protected_keys + ) + # Pruning/capping only remove entries, so the discarded l2 weight is + # sqrt(||c||^2_pre - ||c||^2_post). + dropped_w = np.sqrt(max(w_pre - float(np.dot(coeff, coeff)), 0.0)) + d_lead = c.dt * rate_before + dropped_w + d_total = 0.5 * c.dt * (rate_before + rate_after) + dropped_w + discarded_cum[nt + 1, m] = discarded_cum[nt, m] + d_lead / norm_target + discarded_cum_total[nt + 1, m] = ( + discarded_cum_total[nt, m] + d_total / norm_target + ) + +print(f"L={c.L} gamma={c.gamma} alpha={c.alpha} dt={c.dt} steps={c.steps} " + f"predictor_corrector={c.predictor_corrector}") +for m, kk in enumerate(k_modes): + print(f"\nk = 2*pi*{n[m]}/{c.L} = {kk:.4f}") + print(f" {'t':>6} {'C_k(t)':>10} {'n_basis':>8} {'max_wt':>7} {'err_est':>10}") + for nt in range(c.steps + 1): + print(f" {times[nt]:>6.2f} {Ck[nt, m]:>10.6f} {n_basis[nt, m]:>8d} " + f"{max_weight[nt, m]:>7d} {discarded_cum_total[nt, m]:>10.2e}") + +if c.out: + np.savez( + c.out, times=times, k=k_modes, Ck=Ck, Ck0=Ck0, n_basis=n_basis, + max_weight=max_weight, discarded_cum=discarded_cum, + discarded_cum_total=discarded_cum_total, + ) + print(f"\nsaved -> {c.out}") diff --git a/ppvm-python/pyproject.toml b/ppvm-python/pyproject.toml index ee6a96369..e76a3e00e 100644 --- a/ppvm-python/pyproject.toml +++ b/ppvm-python/pyproject.toml @@ -10,6 +10,7 @@ requires-python = ">=3.10" dependencies = [ "bloqade-circuit>=0.14.1", "kirin>=0.0.15", + "numpy>=1.26", "ppvm-python-native", ] diff --git a/ppvm-python/src/ppvm/lindblad.py b/ppvm-python/src/ppvm/lindblad.py index 352c055b9..1197a5be6 100644 --- a/ppvm-python/src/ppvm/lindblad.py +++ b/ppvm-python/src/ppvm/lindblad.py @@ -21,11 +21,14 @@ from __future__ import annotations from collections.abc import Iterable, Sequence +from typing import TYPE_CHECKING import numpy as np -import scipy.sparse as sp from ppvm_python_native import LindbladSpec as _LindbladSpec +if TYPE_CHECKING: + import scipy.sparse as sp + _PAULI_CODE = {"I": 0, "X": 1, "Z": 2, "Y": 3} # Lookup table mapping code -> ASCII byte for vectorised string output. _CODE_TO_ASCII = np.array([ord("I"), ord("X"), ord("Z"), ord("Y")], dtype=np.uint8) @@ -143,7 +146,13 @@ def leakage_arr( ) def generator_arr(self, basis_arr: np.ndarray) -> sp.csc_matrix: - """Sparse generator matrix in CSC form, basis given as uint8 codes.""" + """Sparse generator matrix in CSC form, basis given as uint8 codes. + + Requires SciPy (imported lazily): only the sparse-matrix convenience + needs it; the ``action``/``leakage`` primitives do not. + """ + import scipy.sparse as sp + n_basis = basis_arr.shape[0] rows, cols, vals = self._spec.generator(np.ascontiguousarray(basis_arr, dtype=np.uint8)) return sp.coo_matrix((vals, (rows, cols)), shape=(n_basis, n_basis)).tocsc() diff --git a/ppvm-python/test/test_lindblad.py b/ppvm-python/test/test_lindblad.py new file mode 100644 index 000000000..c96dab239 --- /dev/null +++ b/ppvm-python/test/test_lindblad.py @@ -0,0 +1,209 @@ +# SPDX-FileCopyrightText: 2026 The PPVM Authors +# SPDX-License-Identifier: Apache-2.0 +"""Cross-checks for the adjoint Pauli-Lindbladian shim (``ppvm.Lindbladian``). + +Each test compares the Rust shim's ``action`` / ``leakage`` / ``generator`` +against an independent, dense reference built from the single-qubit Pauli +multiplication table, on a few representative Lindbladians (XY + Z dephasing, +TFIM + X dephasing). +""" + +from __future__ import annotations + +import numpy as np +import scipy.sparse.linalg as spla + +from ppvm import Lindbladian + +# --- independent reference via the dense Pauli multiplication table --------- +I, X, Y, Z = range(4) # noqa: E741 (I is standard Pauli notation here) +MUL = { + (I, I): (1, I), + (I, X): (1, X), + (I, Y): (1, Y), + (I, Z): (1, Z), + (X, I): (1, X), + (X, X): (1, I), + (X, Y): (1j, Z), + (X, Z): (-1j, Y), + (Y, I): (1, Y), + (Y, X): (-1j, Z), + (Y, Y): (1, I), + (Y, Z): (1j, X), + (Z, I): (1, Z), + (Z, X): (1j, Y), + (Z, Y): (-1j, X), + (Z, Z): (1, I), +} +CODE = {I: "I", X: "X", Y: "Y", Z: "Z"} +ICODE = {"I": I, "X": X, "Y": Y, "Z": Z} + + +def _str_to_tuple(s): + return tuple(ICODE[ch] for ch in s) + + +def _tuple_to_str(t): + return "".join(CODE[ch] for ch in t) + + +def _mul_pauli(p, q): + """Return (phase, p·q) for two Pauli strings given as code tuples.""" + phase = 1 + r = list(p) + for i, (pi, qi) in enumerate(zip(p, q)): + ph, rr = MUL[(pi, qi)] + phase *= ph + r[i] = rr + return phase, tuple(r) + + +def _reference_action(p_str, h_terms, jump_terms): + """L*(p) = i[H, p] + sum_k gamma_k (L_k p L_k - p), term by term.""" + p = _str_to_tuple(p_str) + out: dict = {} + for h_str, coeff_h in h_terms: + h = _str_to_tuple(h_str) + ph_pp, pp = _mul_pauli(h, p) + ph_pq, _ = _mul_pauli(p, h) + # i[H, p] = i (Hp - pH) = i (ph_pp - ph_pq) r ; real for Hermitian H, p. + coeff = (1j * coeff_h * (ph_pp - ph_pq)).real + if coeff: + out[pp] = out.get(pp, 0.0) + coeff + for j_str, gamma in jump_terms: + j = _str_to_tuple(j_str) + ph_pp, _ = _mul_pauli(j, p) + # Hermitian Pauli L, p: Lp has imaginary phase iff they anti-commute, + # and then L p L = -p, contributing -2 gamma p. + if abs(ph_pp.imag) > 0.5: + out[p] = out.get(p, 0.0) + (-2.0 * gamma) + return {kk: v for kk, v in out.items() if v} + + +def _to_str_dict(d): + return {_tuple_to_str(kk): v for kk, v in d.items()} + + +def _xy_dephasing(L, alpha, gamma): + pairs = [ + (a, b, 1.0 / min(b - a, L - b + a) ** alpha) for a in range(L) for b in range(a + 1, L) + ] + kac = sum(j for _, _, j in pairs) / L + pairs = [(a, b, j / kac) for a, b, j in pairs] + h_terms = [] + for a, b, j in pairs: + for q in "XY": + term = ["I"] * L + term[a] = term[b] = q + h_terms.append(("".join(term), j)) + jump_terms = [] + for i in range(L): + term = ["I"] * L + term[i] = "Z" + jump_terms.append(("".join(term), gamma)) + return h_terms, jump_terms + + +def _tfim_xdeph(L, J, h, gamma): + h_terms = [] + for i in range(L - 1): + term = ["I"] * L + term[i] = term[i + 1] = "Z" + h_terms.append(("".join(term), J)) + for i in range(L): + term = ["I"] * L + term[i] = "X" + h_terms.append(("".join(term), h)) + jump_terms = [] + for i in range(L): + term = ["I"] * L + term[i] = "X" + jump_terms.append(("".join(term), gamma)) + return h_terms, jump_terms + + +def _random_pauli_str(rng, L): + chars = ["I"] * L + positions = rng.choice(L, size=int(rng.integers(1, L + 1)), replace=False) + for q in positions: + chars[q] = rng.choice(["X", "Y", "Z"]) + return "".join(chars) + + +def _assert_action_matches(L_op, h_terms, jump_terms, strings): + for p in strings: + got = L_op.action(p) + want = _to_str_dict(_reference_action(p, h_terms, jump_terms)) + for kk in set(got) | set(want): + assert abs(got.get(kk, 0.0) - want.get(kk, 0.0)) < 1e-12, ( + f"action mismatch at p={p!r} k={kk!r}: " + f"shim={got.get(kk, 0.0)} ref={want.get(kk, 0.0)}" + ) + + +def test_action_xy_dephasing(): + L = 8 + h_terms, jump_terms = _xy_dephasing(L, alpha=1.0, gamma=0.3) + L_op = Lindbladian(L, h_terms, jump_terms) + rng = np.random.default_rng(42) + strings = ["I" * L] + strings += ["I" * i + "Z" + "I" * (L - i - 1) for i in range(L)] + strings += [_random_pauli_str(rng, L) for _ in range(20)] + _assert_action_matches(L_op, h_terms, jump_terms, strings) + + +def test_action_tfim_xdephasing(): + L = 6 + h_terms, jump_terms = _tfim_xdeph(L, J=0.7, h=0.4, gamma=0.2) + L_op = Lindbladian(L, h_terms, jump_terms) + rng = np.random.default_rng(7) + strings = [_random_pauli_str(rng, L) for _ in range(30)] + _assert_action_matches(L_op, h_terms, jump_terms, strings) + + +def test_generator_leakage_and_expm(): + L = 5 + dt = 0.1 + h_terms, jump_terms = _xy_dephasing(L, alpha=1.0, gamma=0.4) + L_op = Lindbladian(L, h_terms, jump_terms) + basis = ["I" * i + "Z" + "I" * (L - i - 1) for i in range(L)] + basis += ["YIYII", "IYIYI", "ZZIII"] + coeffs = np.array([0.5, -0.3, 0.2, 0.4, -0.1, 0.6, 0.2, 0.1]) + + M_shim = L_op.generator(basis).toarray() + M_ref = np.zeros((len(basis), len(basis))) + index = {p: i for i, p in enumerate(basis)} + for col, p in enumerate(basis): + for r_tuple, v in _reference_action(p, h_terms, jump_terms).items(): + r = _tuple_to_str(r_tuple) + if r in index: + M_ref[index[r], col] += v + assert np.max(np.abs(M_shim - M_ref)) < 1e-12 + + shim_leak = L_op.leakage(basis, coeffs) + ref_leak: dict = {} + for p, cf in zip(basis, coeffs): + for r_tuple, v in _reference_action(p, h_terms, jump_terms).items(): + r = _tuple_to_str(r_tuple) + if r not in index: + ref_leak[r] = ref_leak.get(r, 0.0) + v * cf + ref_leak = {kk: v for kk, v in ref_leak.items() if v} + for kk in set(shim_leak) | set(ref_leak): + assert abs(shim_leak.get(kk, 0.0) - ref_leak.get(kk, 0.0)) < 1e-12 + + c_shim = spla.expm_multiply(dt * L_op.generator(basis), coeffs) + c_ref = spla.expm_multiply(dt * M_ref, coeffs) + assert np.allclose(c_shim, c_ref, atol=1e-13) + + +def test_protected_strings_suppressed(): + L = 4 + h_terms, jump_terms = _xy_dephasing(L, alpha=1.0, gamma=0.0) + L_op = Lindbladian(L, h_terms, jump_terms) + basis = ["ZIII"] + coeffs = np.array([1.0]) + leak = L_op.leakage(basis, coeffs) + assert leak, "expected some leakage" + protected_key = next(iter(leak)) + leak2 = L_op.leakage(basis, coeffs, protected=[protected_key]) + assert protected_key not in leak2 diff --git a/ppvm-python/uv.lock b/ppvm-python/uv.lock index a940c7037..4e16c4ba4 100644 --- a/ppvm-python/uv.lock +++ b/ppvm-python/uv.lock @@ -3045,6 +3045,7 @@ source = { editable = "." } dependencies = [ { name = "bloqade-circuit" }, { name = "kirin" }, + { name = "numpy" }, { name = "ppvm-python-native" }, ] @@ -3069,6 +3070,7 @@ doc = [ requires-dist = [ { name = "bloqade-circuit", specifier = ">=0.14.1" }, { name = "kirin", specifier = ">=0.0.15" }, + { name = "numpy", specifier = ">=1.26" }, { name = "ppvm-python-native", directory = "../crates/ppvm-python-native" }, ] From 1a7d0540981b20cc5c3f4d8eef7203a2fff47798 Mon Sep 17 00:00:00 2001 From: alexschuckert Date: Fri, 29 May 2026 11:26:43 +0100 Subject: [PATCH 03/23] feat(lindblad): extract ppvm-lindblad crate, non-Hermitian jumps, pure-Rust PC step MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit Split the adjoint Pauli-Lindbladian algorithm out of `ppvm-python-native` into a standalone `ppvm-lindblad` crate backed by `PauliWord<[u64; 2]>` from `ppvm-runtime`, and extend it with: - Non-Hermitian Pauli-sum jumps via `JumpInput` / `JumpKind::{HermitianPauli, General}`. The general path implements the full GKSL sandwich `Σ_{a,b} λ_a* λ_b P_a O P_b - 1/2 {L†L, O}` with the `L†L` Pauli expansion precomputed at construction. Same fast diagonal path for the common Hermitian-Pauli jump case. - Pure-Rust matrix-exponential action `expm_multiply` implementing Al-Mohy & Higham (2011) Algorithm 3.2: degree-`m` Horner-form Taylor with scaling-and-squaring, `(m, s)` from a precomputed `θ_m` table, optional early termination. Backed by a minimal CSR matrix type with serial and rayon-parallel SpMV (parallel above a configurable nnz threshold). - `LindbladSpec::pc_step` runs the entire predictor-corrector step in Rust (first-hop leakage expansion → predictor expm → second-hop leakage expansion → corrector expm), so the Python driver no longer needs scipy for the inner loop. - `pc_step_timed` returns a per-phase microsecond breakdown (leakage1/expand1/gencsr1/expm1/...) for profiling parallel scaling. - `num_threads: Option` parameter wraps the entire PC step in a freshly-built rayon `pool.install`, isolating the requested core count for benchmarking. - Performance: parallel-scatter CSR build (skips `from_triplets`'s sequential count/scatter); `rayon::map_init` thread-local scratch (hashmap + scratch vectors reused across rayon tasks instead of per-task allocations); hash-only `in_basis`/`protected_set` membership tables (`FxHashMap` instead of `` shrinks the working set ~6× and keeps it in L2/L3 past basis 10⁶). At L=51, long-range XY α=1, γ=1, T=1 (basis grows to 577K), 20 PC steps runs end-to-end in ~512 s wall on 4 threads — down from ~734 s pre-optimisation (1.43× faster). Co-Authored-By: Claude Opus 4.7 --- Cargo.lock | 13 + Cargo.toml | 1 + crates/ppvm-lindblad/Cargo.toml | 15 + crates/ppvm-lindblad/examples/spmv_scaling.rs | 65 + crates/ppvm-lindblad/src/expm.rs | 405 ++++++ crates/ppvm-lindblad/src/lib.rs | 1184 +++++++++++++++++ crates/ppvm-python-native/Cargo.toml | 1 + crates/ppvm-python-native/src/lindblad.rs | 737 ++++------ 8 files changed, 1919 insertions(+), 502 deletions(-) create mode 100644 crates/ppvm-lindblad/Cargo.toml create mode 100644 crates/ppvm-lindblad/examples/spmv_scaling.rs create mode 100644 crates/ppvm-lindblad/src/expm.rs create mode 100644 crates/ppvm-lindblad/src/lib.rs diff --git a/Cargo.lock b/Cargo.lock index 9be389546..0dc935027 100644 --- a/Cargo.lock +++ b/Cargo.lock @@ -901,6 +901,18 @@ dependencies = [ "ppvm-tableau", ] +[[package]] +name = "ppvm-lindblad" +version = "0.1.0" +dependencies = [ + "approx", + "dashmap", + "fxhash", + "num", + "ppvm-runtime", + "rayon", +] + [[package]] name = "ppvm-python-native" version = "0.1.0" @@ -911,6 +923,7 @@ dependencies = [ "num", "numpy", "paste", + "ppvm-lindblad", "ppvm-runtime", "ppvm-stim", "ppvm-tableau", diff --git a/Cargo.toml b/Cargo.toml index e319ce0e7..dc4a85acb 100644 --- a/Cargo.toml +++ b/Cargo.toml @@ -14,6 +14,7 @@ ppvm-sym = { version = "0.1.0", path = "crates/ppvm-sym" } members = [ "crates/ppvm-runtime", "crates/ppvm-sym", + "crates/ppvm-lindblad", "crates/ppvm-python-native", "crates/ppvm-tableau", "crates/ppvm-stim", "crates/stim-parser", diff --git a/crates/ppvm-lindblad/Cargo.toml b/crates/ppvm-lindblad/Cargo.toml new file mode 100644 index 000000000..0c06c0eaa --- /dev/null +++ b/crates/ppvm-lindblad/Cargo.toml @@ -0,0 +1,15 @@ +[package] +name = "ppvm-lindblad" +version = "0.1.0" +edition = "2024" +description = "Direct Heisenberg-picture Lindbladian evolution on an adaptive Pauli-string basis." + +[dependencies] +dashmap = "6.1.0" +fxhash = "0.2.1" +num = "0.4.3" +ppvm-runtime = { version = "0.1.0", path = "../ppvm-runtime" } +rayon = "1.11" + +[dev-dependencies] +approx = "0.5.1" diff --git a/crates/ppvm-lindblad/examples/spmv_scaling.rs b/crates/ppvm-lindblad/examples/spmv_scaling.rs new file mode 100644 index 000000000..4abe67588 --- /dev/null +++ b/crates/ppvm-lindblad/examples/spmv_scaling.rs @@ -0,0 +1,65 @@ +// SPDX-FileCopyrightText: 2026 The PPVM Authors +// SPDX-License-Identifier: Apache-2.0 + +//! Tiny SpMV scaling check: builds a tridiagonal CSR matrix of a target +//! `nnz`, times `spmv_parallel` repeatedly inside rayon pools of varying +//! thread counts, and prints the wall time and speedup. Useful to confirm +//! the SpMV path itself scales before debugging higher-level paths. + +use ppvm_lindblad::CsrMatrix; +use std::time::Instant; + +fn build_tridiagonal(n: usize) -> CsrMatrix { + let mut trips = Vec::with_capacity(3 * n); + for i in 0..n { + trips.push((i, i, -2.0)); + if i > 0 { + trips.push((i, i - 1, 1.0)); + } + if i + 1 < n { + trips.push((i, i + 1, 1.0)); + } + } + CsrMatrix::from_triplets(n, &trips) +} + +fn main() { + let n: usize = 100_000; + let m = build_tridiagonal(n); + let x: Vec = (0..n).map(|i| (i as f64).sin()).collect(); + let mut y = vec![0f64; n]; + let n_iters = 1000; + println!( + "n = {n}, nnz = {}, {n_iters} SpMVs per measurement", + m.nnz() + ); + println!(); + println!("{:>8} {:>14} {:>10}", "threads", "wall (ms)", "speedup"); + println!("{}", "-".repeat(36)); + + let mut baseline_ms: Option = None; + for nt in [1usize, 2, 3, 4, 6, 8, 10] { + let pool = rayon::ThreadPoolBuilder::new() + .num_threads(nt) + .build() + .unwrap(); + // warm up + pool.install(|| { + for _ in 0..50 { + m.spmv_parallel(&x, &mut y); + } + }); + let t0 = Instant::now(); + pool.install(|| { + for _ in 0..n_iters { + m.spmv_parallel(&x, &mut y); + } + }); + let wall_ms = t0.elapsed().as_secs_f64() * 1000.0; + let speedup = baseline_ms.unwrap_or(wall_ms) / wall_ms; + if baseline_ms.is_none() { + baseline_ms = Some(wall_ms); + } + println!("{nt:>8} {wall_ms:>14.1} {speedup:>9.2}x"); + } +} diff --git a/crates/ppvm-lindblad/src/expm.rs b/crates/ppvm-lindblad/src/expm.rs new file mode 100644 index 000000000..d84edb262 --- /dev/null +++ b/crates/ppvm-lindblad/src/expm.rs @@ -0,0 +1,405 @@ +// SPDX-FileCopyrightText: 2026 The PPVM Authors +// SPDX-License-Identifier: Apache-2.0 + +//! Action of the matrix exponential, `y = exp(t·A)·b`, for real sparse `A`. +//! +//! Implements Al-Mohy & Higham (2011), Algorithm 3.2: a Horner-form +//! degree-`m` Taylor polynomial evaluated `s` times (scaling-and-squaring), +//! with `(m, s)` chosen from a precomputed table that minimises total SpMV +//! count subject to a double-precision truncation bound. +//! +//! The hot path is repeated sparse-matrix × dense-vector products. SpMV is +//! parallelised over rows with `rayon` when the matrix has more than +//! [`ExpmOpts::parallel_threshold`] nonzeros; below that, the task-spawn +//! overhead beats the cache-friendliness of the serial loop, so we stay +//! single-threaded. Both branches share the same CSR storage and produce +//! bit-identical output. + +use rayon::prelude::*; + +/// `θ_m` table from Al-Mohy & Higham (2011), Table A.3, for double +/// precision (unit roundoff `u = 2^{-53}`). +/// +/// `θ_m` bounds `‖A‖₁` such that the degree-`m` Taylor polynomial +/// approximates `exp(A)` to within `u`. We pick `(m, s)` with +/// `s ≥ ⌈‖tA‖₁ / θ_m⌉` and minimise `m·s` (total SpMV count). +const THETA: &[(u32, f64)] = &[ + (1, 2.29e-16), + (2, 2.58e-8), + (3, 1.39e-5), + (4, 3.40e-4), + (5, 2.40e-3), + (6, 9.07e-3), + (7, 2.38e-2), + (8, 5.00e-2), + (9, 8.96e-2), + (10, 1.44e-1), + (11, 2.14e-1), + (12, 3.00e-1), + (13, 4.00e-1), + (14, 5.14e-1), + (15, 6.41e-1), + (16, 7.81e-1), + (17, 9.31e-1), + (18, 1.09), + (19, 1.26), + (20, 1.44), + (21, 1.62), + (22, 1.82), + (23, 2.01), + (24, 2.22), + (25, 2.43), + (26, 2.64), + (27, 2.86), + (28, 3.08), + (29, 3.31), + (30, 3.54), +]; + +/// Compressed Sparse Row matrix (square, `n × n`). +#[derive(Clone, Debug)] +pub struct CsrMatrix { + pub n: usize, + /// Length `n+1`; row `i` spans `[row_ptr[i], row_ptr[i+1])` in + /// `col_idx` and `values`. + pub row_ptr: Vec, + pub col_idx: Vec, + pub values: Vec, +} + +impl CsrMatrix { + /// Number of structural nonzeros. + pub fn nnz(&self) -> usize { + self.values.len() + } + + /// Build CSR from a list of `(row, col, value)` triplets. Duplicate + /// triplets at the same `(row, col)` are summed. + pub fn from_triplets(n: usize, triplets: &[(usize, usize, f64)]) -> Self { + let mut counts = vec![0usize; n]; + for &(r, _, _) in triplets { + debug_assert!(r < n, "row index {r} out of range"); + counts[r] += 1; + } + let mut row_ptr = vec![0usize; n + 1]; + for i in 0..n { + row_ptr[i + 1] = row_ptr[i] + counts[i]; + } + let mut col_idx = vec![0u32; triplets.len()]; + let mut values = vec![0f64; triplets.len()]; + let mut offset = vec![0usize; n]; + for &(r, c, v) in triplets { + debug_assert!(c < n, "col index {c} out of range"); + let pos = row_ptr[r] + offset[r]; + col_idx[pos] = c as u32; + values[pos] = v; + offset[r] += 1; + } + Self { + n, + row_ptr, + col_idx, + values, + } + } + + /// Matrix 1-norm: `max_j Σ_i |A_{ij}|` (max column sum of absolute + /// values). Used to pick the Taylor parameters `(m, s)`. + pub fn one_norm(&self) -> f64 { + if self.n == 0 { + return 0.0; + } + let mut col_sums = vec![0f64; self.n]; + for k in 0..self.values.len() { + col_sums[self.col_idx[k] as usize] += self.values[k].abs(); + } + col_sums.into_iter().fold(0f64, f64::max) + } + + /// `y ← A · x` (serial). + pub fn spmv_serial(&self, x: &[f64], y: &mut [f64]) { + debug_assert_eq!(x.len(), self.n); + debug_assert_eq!(y.len(), self.n); + for (i, yi) in y.iter_mut().enumerate() { + let mut sum = 0.0; + for k in self.row_ptr[i]..self.row_ptr[i + 1] { + sum += self.values[k] * x[self.col_idx[k] as usize]; + } + *yi = sum; + } + } + + /// `y ← A · x` (rayon-parallel over rows). + pub fn spmv_parallel(&self, x: &[f64], y: &mut [f64]) { + debug_assert_eq!(x.len(), self.n); + debug_assert_eq!(y.len(), self.n); + y.par_iter_mut().enumerate().for_each(|(i, yi)| { + let mut sum = 0.0; + for k in self.row_ptr[i]..self.row_ptr[i + 1] { + sum += self.values[k] * x[self.col_idx[k] as usize]; + } + *yi = sum; + }); + } + + /// Dispatches to [`Self::spmv_parallel`] when `nnz ≥ parallel_threshold`, + /// else [`Self::spmv_serial`]. + #[inline] + pub fn spmv(&self, x: &[f64], y: &mut [f64], parallel_threshold: usize) { + if self.nnz() >= parallel_threshold { + self.spmv_parallel(x, y); + } else { + self.spmv_serial(x, y); + } + } +} + +/// Options for [`expm_multiply`]. +#[derive(Clone, Copy, Debug)] +pub struct ExpmOpts { + /// Stop the inner Horner loop once successive Taylor terms drop below + /// `tol · ‖F‖`. Default `1e-12`. + pub tol: f64, + /// Threshold (in matrix `nnz`) above which SpMV is parallelised. Below + /// this rayon's task overhead beats cache-friendly serial. Default + /// `50_000`. + pub parallel_threshold: usize, +} + +impl Default for ExpmOpts { + fn default() -> Self { + Self { + tol: 1e-12, + parallel_threshold: 50_000, + } + } +} + +/// Pick `(m, s)` minimising `s·m` subject to `s ≥ ⌈t_norm / θ_m⌉, s ≥ 1`. +/// Restricted to `m ≤ 30`; for larger norms `s` simply grows linearly. +fn select_ms(t_norm: f64) -> (u32, u32) { + if t_norm <= 0.0 { + return (1, 1); + } + let mut best_m = 1u32; + let mut best_s = 1u32; + let mut best_cost = u64::MAX; + for &(m, theta) in THETA { + let s_f = (t_norm / theta).ceil(); + let s = if s_f >= 1.0 { s_f as u32 } else { 1 }; + let cost = (m as u64) * (s as u64); + if cost < best_cost { + best_cost = cost; + best_m = m; + best_s = s; + } + } + (best_m, best_s) +} + +#[inline] +fn inf_norm(v: &[f64]) -> f64 { + v.iter().fold(0f64, |acc, &x| acc.max(x.abs())) +} + +/// Compute `exp(t · A) · b` for a real square sparse matrix `A` in CSR +/// form. Allocates a fresh `Vec` of length `A.n`. +/// +/// The algorithm is Al-Mohy & Higham (2011) Algorithm 3.2: pick +/// `(m, s)` from the precomputed `θ_m` table to minimise SpMV count, +/// then iteratively apply a degree-`m` Horner-form Taylor polynomial +/// `s` times. Inside each Horner sweep we terminate early once two +/// successive Taylor terms have norm below `opts.tol · ‖F‖`. +pub fn expm_multiply(a: &CsrMatrix, t: f64, b: &[f64], opts: ExpmOpts) -> Vec { + assert_eq!( + a.n, + b.len(), + "matrix size {} mismatches vector length {}", + a.n, + b.len() + ); + let n = a.n; + if n == 0 { + return Vec::new(); + } + + let t_a_one_norm = t.abs() * a.one_norm(); + let (m_star, s) = select_ms(t_a_one_norm); + let scale = t / s as f64; + + let mut f = b.to_vec(); + let mut bk = b.to_vec(); + let mut work = vec![0f64; n]; + + for _ in 0..s { + let mut c1 = inf_norm(&bk); + for i in 1..=m_star { + // bk ← (scale / i) · A · bk + a.spmv(&bk, &mut work, opts.parallel_threshold); + let factor = scale / i as f64; + for j in 0..n { + bk[j] = factor * work[j]; + } + // f ← f + bk + for j in 0..n { + f[j] += bk[j]; + } + // Early termination: two small successive Taylor terms. + let c2 = inf_norm(&bk); + let f_norm = inf_norm(&f).max(f64::MIN_POSITIVE); + if c1 + c2 <= opts.tol * f_norm { + break; + } + c1 = c2; + } + // Outer step: `f` becomes the input for the next scaling power. + bk.copy_from_slice(&f); + } + + f +} + +#[cfg(test)] +mod tests { + use super::*; + use approx::assert_abs_diff_eq; + + fn diag(vals: &[f64]) -> CsrMatrix { + let trips: Vec<_> = vals.iter().enumerate().map(|(i, &v)| (i, i, v)).collect(); + CsrMatrix::from_triplets(vals.len(), &trips) + } + + #[test] + fn spmv_correctness() { + // [[1, 0, 2], + // [0, 3, 0], + // [4, 0, 5]] + let m = CsrMatrix::from_triplets( + 3, + &[ + (0, 0, 1.0), + (0, 2, 2.0), + (1, 1, 3.0), + (2, 0, 4.0), + (2, 2, 5.0), + ], + ); + let x = vec![1.0, 1.0, 1.0]; + let mut y = vec![0.0; 3]; + m.spmv_serial(&x, &mut y); + assert_eq!(y, vec![3.0, 3.0, 9.0]); + let mut y_par = vec![0.0; 3]; + m.spmv_parallel(&x, &mut y_par); + assert_eq!(y_par, vec![3.0, 3.0, 9.0]); + } + + #[test] + fn one_norm() { + // 1-norm = max column abs-sum. Above: col0=5, col1=3, col2=7 → 7. + let m = CsrMatrix::from_triplets( + 3, + &[ + (0, 0, 1.0), + (0, 2, 2.0), + (1, 1, 3.0), + (2, 0, 4.0), + (2, 2, 5.0), + ], + ); + assert_abs_diff_eq!(m.one_norm(), 7.0); + } + + #[test] + fn expm_zero_t_identity() { + let m = diag(&[1.5, -2.0, 0.7]); + let b = vec![1.0, 2.0, 3.0]; + let r = expm_multiply(&m, 0.0, &b, ExpmOpts::default()); + for i in 0..3 { + assert_abs_diff_eq!(r[i], b[i], epsilon = 1e-14); + } + } + + #[test] + fn expm_diagonal_closed_form() { + // diag matrix → exp(t·A)·b is elementwise exp(t·a_i) * b_i. + let m = diag(&[1.5, -2.0, 0.7]); + let b = vec![1.0, 1.0, 1.0]; + let t = 0.5; + let r = expm_multiply(&m, t, &b, ExpmOpts::default()); + for (i, &a_i) in [1.5, -2.0, 0.7].iter().enumerate() { + assert_abs_diff_eq!(r[i], (t * a_i).exp(), epsilon = 1e-12); + } + } + + #[test] + fn expm_skew_rotation() { + // A = [[0, 1], [-1, 0]]: exp(tA) is rotation by t. + // exp(t·A)·(1, 0)^T = (cos t, -sin t)^T. + let m = CsrMatrix::from_triplets(2, &[(0, 1, 1.0), (1, 0, -1.0)]); + let b = vec![1.0, 0.0]; + let t = 0.7; + let r = expm_multiply(&m, t, &b, ExpmOpts::default()); + assert_abs_diff_eq!(r[0], t.cos(), epsilon = 1e-12); + assert_abs_diff_eq!(r[1], -t.sin(), epsilon = 1e-12); + } + + #[test] + fn expm_serial_matches_parallel() { + // Same algorithm both paths; force one with a high threshold and + // one with zero. Results must be bit-identical (no floating + // reordering across rows since each row's reduction is sequential). + let trips: Vec<_> = (0..50) + .flat_map(|i| { + let i: usize = i; + let prev = if i > 0 { Some((i, i - 1, 0.3)) } else { None }; + let next = if i + 1 < 50 { + Some((i, i + 1, 0.5)) + } else { + None + }; + [Some((i, i, -0.4 - 0.01 * i as f64)), prev, next] + .into_iter() + .flatten() + }) + .collect(); + let m = CsrMatrix::from_triplets(50, &trips); + let b: Vec = (0..50).map(|i| 1.0 / (i + 1) as f64).collect(); + let r_serial = expm_multiply( + &m, + 0.3, + &b, + ExpmOpts { + tol: 1e-14, + parallel_threshold: usize::MAX, + }, + ); + let r_parallel = expm_multiply( + &m, + 0.3, + &b, + ExpmOpts { + tol: 1e-14, + parallel_threshold: 0, + }, + ); + for (a, b) in r_serial.iter().zip(r_parallel.iter()) { + assert_eq!(a, b, "serial and parallel SpMV diverged"); + } + } + + #[test] + fn ms_selection_sane() { + // tiny norm → small m, s = 1 + let (m, s) = select_ms(1e-9); + assert!(m <= 5, "expected small m for tiny norm, got m={m}"); + assert_eq!(s, 1); + + // moderate norm → m·s should be ~10-50 + let (m, s) = select_ms(1.0); + assert!((m * s) <= 50, "moderate norm cost too high: m={m} s={s}"); + + // large norm → s grows + let (_m, s) = select_ms(100.0); + assert!(s >= 20, "large norm should require many steps, got s={s}"); + } +} diff --git a/crates/ppvm-lindblad/src/lib.rs b/crates/ppvm-lindblad/src/lib.rs new file mode 100644 index 000000000..cfd3a85fc --- /dev/null +++ b/crates/ppvm-lindblad/src/lib.rs @@ -0,0 +1,1184 @@ +// SPDX-FileCopyrightText: 2026 The PPVM Authors +// SPDX-License-Identifier: Apache-2.0 + +//! Direct Heisenberg-picture Lindbladian evolution on an adaptive +//! Pauli-string basis. +//! +//! For a Hermitian Pauli Hamiltonian `H = Σ c_i P_i` and jump operators +//! `L_k = Σ_a λ_{k,a} P_{k,a}` (each a Hermitian-Pauli linear combination +//! with possibly complex coefficients) with rates `γ_k ≥ 0`, the adjoint +//! Lindbladian acts on a single Pauli string `p` as +//! +//! ```text +//! L*(p) = i [H, p] + Σ_k γ_k ( L_k† p L_k − 1/2 {L_k† L_k, p} ). +//! ``` +//! +//! Two jump shapes are supported with separate code paths: +//! +//! - **Hermitian Pauli** (`L = P`, `λ ∈ ℝ`): the dissipator collapses to a +//! diagonal `-2γ` on Pauli strings that anti-commute with `P`. Same fast +//! path used by every dephasing-style model. +//! +//! - **General** (complex `λ_a`, e.g. `σ± = (X ± iY)/2`): the dissipator +//! becomes a double sum `Σ_{a,b} λ_a* λ_b P_a p P_b` plus a Pauli- +//! linear-combination anti-commutator with `L†L`, which is precomputed +//! once at construction. Intermediate coefficients are complex; the +//! result is real because `L*` preserves Hermiticity, so we cast back +//! to `f64` at the boundary (with a debug-only check that `|Im|` is at +//! FP noise). +//! +//! Pauli strings are stored as [`ppvm_runtime::word::PauliWord`] backed by +//! `[u64; 2]` (≤128 qubits) with cached hashes for fast HashMap lookup. The +//! hot-path commutator/product loops bypass the higher-level word API and +//! operate directly on raw `u64` chunks for speed. + +use dashmap::DashMap; +use fxhash::{FxBuildHasher, FxHashMap}; +use num::Complex; +use ppvm_runtime::traits::PauliWordTrait; +use ppvm_runtime::word::PauliWord; +use rayon::prelude::*; +use std::fmt; +use std::time::Instant; + +pub mod expm; +pub use expm::{CsrMatrix, ExpmOpts, expm_multiply}; + +/// Words pack up to 128 qubits. +const W_U64: usize = 2; + +/// Maximum number of qubits supported by [`Word`] (= `8 · W_U64 · sizeof(u64)`). +pub const MAX_QUBITS: usize = 64 * W_U64; + +/// The Pauli-word storage type used throughout this crate. +/// +/// `[u64; 2]` covers up to 128 qubits; the `FxBuildHasher` matches the +/// hash used by the `FxHashMap` keys we wrap with; `REHASH=true` means +/// `set()` keeps the cached hash in sync. +pub type Word = PauliWord<[u64; W_U64], FxBuildHasher, true>; + +/// Errors raised when constructing a [`LindbladSpec`]. +#[derive(Debug, Clone)] +pub enum Error { + TooManyQubits { + got: usize, + }, + LengthMismatch { + what: &'static str, + a: usize, + b: usize, + }, + InvalidPauliCode { + code: u8, + }, + InvalidPauliChar { + c: char, + }, + WrongLength { + expected: usize, + got: usize, + }, + NegativeRate { + index: usize, + rate: f64, + }, + EmptyLincomb { + index: usize, + }, + Internal(String), +} + +impl fmt::Display for Error { + fn fmt(&self, f: &mut fmt::Formatter<'_>) -> fmt::Result { + match self { + Error::TooManyQubits { got } => { + write!( + f, + "LindbladSpec supports n_qubits ≤ {MAX_QUBITS}; got {got}" + ) + } + Error::LengthMismatch { what, a, b } => { + write!(f, "{what}: expected matching lengths, got {a} and {b}") + } + Error::InvalidPauliCode { code } => write!( + f, + "Pauli code must be 0 (I), 1 (X), 2 (Z), or 3 (Y); got {code}" + ), + Error::InvalidPauliChar { c } => { + write!(f, "invalid Pauli character '{c}'; expected I, X, Y, or Z") + } + Error::WrongLength { expected, got } => { + write!(f, "Pauli string has length {got} but n_qubits = {expected}") + } + Error::NegativeRate { index, rate } => { + write!(f, "jump rate must be non-negative; got γ_{index} = {rate}") + } + Error::EmptyLincomb { index } => { + write!( + f, + "jump {index}: lincomb must contain at least one Pauli term" + ) + } + Error::Internal(msg) => write!(f, "internal error: {msg}"), + } + } +} + +impl std::error::Error for Error {} + +/// `Send + Sync` wrapper around `*mut T` for parallel scatter writes from +/// rayon tasks into pre-allocated arrays. Caller must guarantee that the +/// writes target disjoint indices. +/// +/// The field is intentionally private so closures that use [`Self::write`] +/// capture the whole struct (which is `Send + Sync`) rather than the +/// inner `*mut T` (which is not) — Rust 2021's disjoint-field capture +/// would otherwise peel the wrapper. +#[derive(Clone, Copy)] +struct SendPtr(*mut T); +unsafe impl Send for SendPtr {} +unsafe impl Sync for SendPtr {} + +impl SendPtr { + /// SAFETY: caller guarantees `offset` is in bounds and that no other + /// thread writes to the same offset. + #[inline(always)] + unsafe fn write(self, offset: usize, value: T) { + unsafe { self.0.add(offset).write(value) } + } +} + +/// Per-phase timing breakdown (microseconds) returned by +/// [`LindbladSpec::pc_step_timed`]. +#[derive(Default, Clone, Copy, Debug)] +pub struct PcStepTimings { + pub leakage1_us: u64, + pub expand1_us: u64, + pub gencsr1_us: u64, + pub expm1_us: u64, + pub leakage2_us: u64, + pub expand2_us: u64, + pub gencsr2_us: u64, + pub expm2_us: u64, +} + +impl PcStepTimings { + pub fn total_us(&self) -> u64 { + self.leakage1_us + + self.expand1_us + + self.gencsr1_us + + self.expm1_us + + self.leakage2_us + + self.expand2_us + + self.gencsr2_us + + self.expm2_us + } +} + +// ────────────────── codec helpers ────────────────── + +/// Build a [`Word`] from a length-`n_qubits` slice of Pauli codes +/// (`0=I, 1=X, 2=Z, 3=Y`). Sets all bits and rehashes once. +pub fn word_from_codes(codes: &[u8]) -> Result { + let n_qubits = codes.len(); + if n_qubits > MAX_QUBITS { + return Err(Error::TooManyQubits { got: n_qubits }); + } + let mut w = Word::new(n_qubits); + for (q, &b) in codes.iter().enumerate() { + if b > 3 { + return Err(Error::InvalidPauliCode { code: b }); + } + if b & 1 != 0 { + w.xbits.set(q, true); + } + if b & 2 != 0 { + w.zbits.set(q, true); + } + } + w.rehash(); + Ok(w) +} + +/// Inverse of [`word_from_codes`]: write `n_qubits` Pauli codes into `out`. +pub fn codes_from_word(w: &Word, out: &mut [u8]) { + debug_assert_eq!(out.len(), w.n_qubits()); + for (q, slot) in out.iter_mut().enumerate() { + let xb = w.xbits[q] as u8; + let zb = w.zbits[q] as u8; + *slot = xb | (zb << 1); + } +} + +/// Parse a `"IXYZ..."` string into a [`Word`] together with the list of +/// qubits where the Pauli is non-identity (the term's support). +pub fn parse_pauli_string(s: &str, n_qubits: usize) -> Result<(Word, Vec), Error> { + if n_qubits > MAX_QUBITS { + return Err(Error::TooManyQubits { got: n_qubits }); + } + let chars: Vec = s.chars().filter(|c| *c != '_').collect(); + if chars.len() != n_qubits { + return Err(Error::WrongLength { + expected: n_qubits, + got: chars.len(), + }); + } + let mut w = Word::new(n_qubits); + let mut support = Vec::new(); + for (q, c) in chars.into_iter().enumerate() { + match c { + 'I' => {} + 'X' => { + w.xbits.set(q, true); + support.push(q as u32); + } + 'Z' => { + w.zbits.set(q, true); + support.push(q as u32); + } + 'Y' => { + w.xbits.set(q, true); + w.zbits.set(q, true); + support.push(q as u32); + } + other => return Err(Error::InvalidPauliChar { c: other }), + } + } + w.rehash(); + Ok((w, support)) +} + +/// Compute the support (non-identity qubits) of `w`. +fn word_support(w: &Word, out: &mut Vec) { + out.clear(); + for q in 0..w.n_qubits() { + if w.xbits[q] || w.zbits[q] { + out.push(q as u32); + } + } +} + +// ────────────────── Pauli algebra ────────────────── +// +// Phase encoding: `Pauli product P·Q = ω · R` where `ω = i^phase` and +// `phase ∈ {0,1,2,3}` ↔ `ω ∈ {1, i, -1, -i}`. The per-byte XOR/AND +// formulas are the same ones used by `PhasedPauliWord::mul_assign` in +// `ppvm-runtime`. + +#[inline(always)] +fn phase_factor(phase: u8) -> Complex { + match phase & 3 { + 0 => Complex::new(1.0, 0.0), + 1 => Complex::new(0.0, 1.0), + 2 => Complex::new(-1.0, 0.0), + _ => Complex::new(0.0, -1.0), + } +} + +/// `true` if Pauli words `a` and `b` anti-commute. +/// +/// Two Pauli strings anti-commute iff +/// `popcount(a.x & b.z) + popcount(a.z & b.x)` is odd. +#[inline(always)] +fn anti_commutes(a: &Word, b: &Word) -> bool { + let mut bits: u32 = 0; + for i in 0..W_U64 { + bits += (a.xbits.data[i] & b.zbits.data[i]).count_ones(); + bits += (a.zbits.data[i] & b.xbits.data[i]).count_ones(); + } + bits & 1 == 1 +} + +/// Fused product `h · p`: returns `(out, eps)` where `out = h ⊕ p` and +/// +/// - `eps = 0` if `h` and `p` commute (caller should skip — `[h,p] = 0`), +/// - `eps = -2.0` if `h·p` has phase `+i` (so `i·[h,p] = -2·out`), +/// - `eps = +2.0` if `h·p` has phase `-i` (so `i·[h,p] = +2·out`). +#[inline(always)] +fn comm_product(h: &Word, p: &Word) -> (Word, f64) { + let mut out = Word::new(h.n_qubits()); + let mut sign_count: u32 = 0; + let mut imag_count: u32 = 0; + for i in 0..W_U64 { + let a = h.xbits.data[i]; + let b = h.zbits.data[i]; + let c = p.xbits.data[i]; + let d = p.zbits.data[i]; + let sign = (a & b & c & !d) | (a & !b & !c & d) | (!a & b & c & d); + let imag = (a & !b & d) | (a & !c & d) | (!a & b & c) | (b & c & !d); + sign_count += sign.count_ones(); + imag_count += imag.count_ones(); + out.xbits.data[i] = a ^ c; + out.zbits.data[i] = b ^ d; + } + out.rehash(); + let phase = (2 * sign_count + imag_count) & 3; + let eps = match phase { + 1 => -2.0, + 3 => 2.0, + _ => 0.0, + }; + (out, eps) +} + +/// Full Pauli product `p · q`: returns `(out, phase)` where the product +/// is `ω · out` with `ω = i^phase`. +#[inline(always)] +fn pauli_mul(p: &Word, q: &Word) -> (Word, u8) { + let mut out = Word::new(p.n_qubits()); + let mut sign_count: u32 = 0; + let mut imag_count: u32 = 0; + for i in 0..W_U64 { + let a = p.xbits.data[i]; + let b = p.zbits.data[i]; + let c = q.xbits.data[i]; + let d = q.zbits.data[i]; + let sign = (a & b & c & !d) | (a & !b & !c & d) | (!a & b & c & d); + let imag = (a & !b & d) | (a & !c & d) | (!a & b & c) | (b & c & !d); + sign_count += sign.count_ones(); + imag_count += imag.count_ones(); + out.xbits.data[i] = a ^ c; + out.zbits.data[i] = b ^ d; + } + out.rehash(); + (out, ((2 * sign_count + imag_count) & 3) as u8) +} + +// ────────────────── Spec types ────────────────── + +/// Parsed Hamiltonian term. +#[derive(Clone)] +struct HTerm { + word: Word, + coeff: f64, +} + +/// One Pauli term in a complex linear combination (a single summand of +/// `L = Σ_a λ_a P_a` or of the precomputed `L†L`). +#[derive(Clone)] +struct PauliTerm { + word: Word, + coeff: Complex, +} + +/// One jump operator `L_k` with rate `γ_k`. The `HermitianPauli` variant +/// is a fast path; `General` handles arbitrary complex Pauli sums. +#[derive(Clone)] +enum JumpKind { + HermitianPauli { + word: Word, + rate: f64, + }, + General { + terms: Vec, // L = Σ_a λ_a P_a + dagger_dagger: Vec, // L†L = Σ_c μ_c P_c (μ_c ∈ ℝ) + rate: f64, + }, +} + +/// Expand `L†L = (Σ_a λ_a P_a)† (Σ_b λ_b P_b) = Σ_{a,b} λ_a* λ_b P_a P_b` +/// as a Pauli linear combination, dropping FP-noise zeros. Coefficients are +/// real because `L†L` is Hermitian; we keep them complex for arithmetic +/// uniformity. +fn precompute_ldagger_l(terms: &[PauliTerm]) -> Vec { + let zero = Complex::new(0.0, 0.0); + let mut acc: FxHashMap> = FxHashMap::default(); + for a in terms { + for b in terms { + let (word, phase) = pauli_mul(&a.word, &b.word); + let coeff = a.coeff.conj() * b.coeff * phase_factor(phase); + *acc.entry(word).or_insert(zero) += coeff; + } + } + acc.into_iter() + .filter(|(_, c)| c.norm() > 1e-14) + .map(|(word, coeff)| PauliTerm { word, coeff }) + .collect() +} + +/// Precompiled Lindbladian. Constructed once from string-form Hamiltonian +/// terms + jump operators; reused across many calls to [`Self::action`], +/// [`Self::leakage`], [`Self::generator`]. +/// +/// `action_cache` memoises the per-input contribution list — without it, +/// every call re-derives the same `L*(p)` from scratch for the same input. +pub struct LindbladSpec { + n_qubits: usize, + h_terms: Vec, + j_kinds: Vec, + /// `h_support[q]` = indices of Hamiltonian terms acting on qubit `q`. + h_support: Vec>, + /// `j_support[q]` = indices of jumps whose support contains qubit `q`. + j_support: Vec>, + action_cache: DashMap, FxBuildHasher>, +} + +/// User-facing description of one jump operator: a complex Pauli linear +/// combination together with its rate. +#[derive(Clone, Debug)] +pub struct JumpInput { + /// `(pauli_string, λ)` pairs forming `L_k = Σ_a λ_a P_a`. + pub lincomb: Vec<(String, Complex)>, + /// Non-negative GKSL rate `γ_k`. + pub rate: f64, +} + +impl LindbladSpec { + /// Construct a Lindbladian spec from Hamiltonian terms and jump operators. + /// + /// `h_terms` are `(pauli_string, coefficient)` pairs forming the Hermitian + /// Hamiltonian. Each jump operator is a complex Pauli linear combination; + /// a length-1 jump with imaginary part `0` is routed to the Hermitian-Pauli + /// fast path (with rate scaled by the squared real coefficient). + pub fn new( + n_qubits: usize, + h_terms: &[(String, f64)], + jumps: &[JumpInput], + ) -> Result { + if n_qubits > MAX_QUBITS { + return Err(Error::TooManyQubits { got: n_qubits }); + } + + let mut h_parsed: Vec = Vec::with_capacity(h_terms.len()); + let mut h_support_idx: Vec> = vec![Vec::new(); n_qubits]; + for (i, (s, c)) in h_terms.iter().enumerate() { + let (word, support) = parse_pauli_string(s, n_qubits)?; + for q in support { + h_support_idx[q as usize].push(i as u32); + } + h_parsed.push(HTerm { word, coeff: *c }); + } + + let mut j_kinds: Vec = Vec::with_capacity(jumps.len()); + let mut j_support_idx: Vec> = vec![Vec::new(); n_qubits]; + for (k, jump) in jumps.iter().enumerate() { + if jump.rate < 0.0 { + return Err(Error::NegativeRate { + index: k, + rate: jump.rate, + }); + } + if jump.lincomb.is_empty() { + return Err(Error::EmptyLincomb { index: k }); + } + + // Fast path: single-term, purely real → Hermitian Pauli. + if jump.lincomb.len() == 1 && jump.lincomb[0].1.im == 0.0 { + let (s, c) = &jump.lincomb[0]; + let (word, support) = parse_pauli_string(s, n_qubits)?; + for q in support { + j_support_idx[q as usize].push(k as u32); + } + j_kinds.push(JumpKind::HermitianPauli { + word, + rate: jump.rate * c.re * c.re, + }); + continue; + } + + // General path: parse all terms, precompute L†L, record union support. + let mut terms: Vec = Vec::with_capacity(jump.lincomb.len()); + let mut union_support: std::collections::BTreeSet = + std::collections::BTreeSet::new(); + for (s, c) in &jump.lincomb { + let (word, support) = parse_pauli_string(s, n_qubits)?; + for q in &support { + union_support.insert(*q); + } + terms.push(PauliTerm { word, coeff: *c }); + } + for q in union_support { + j_support_idx[q as usize].push(k as u32); + } + let dagger_dagger = precompute_ldagger_l(&terms); + j_kinds.push(JumpKind::General { + terms, + dagger_dagger, + rate: jump.rate, + }); + } + + Ok(Self { + n_qubits, + h_terms: h_parsed, + j_kinds, + h_support: h_support_idx, + j_support: j_support_idx, + action_cache: DashMap::with_hasher(FxBuildHasher::default()), + }) + } + + /// Drop all memoised `L*(p)` entries. + pub fn clear_cache(&self) { + self.action_cache.clear(); + } + + pub fn cache_size(&self) -> usize { + self.action_cache.len() + } + + pub fn n_qubits(&self) -> usize { + self.n_qubits + } + + pub fn num_h_terms(&self) -> usize { + self.h_terms.len() + } + + pub fn num_jump_terms(&self) -> usize { + self.j_kinds.len() + } + + /// Apply `L*` to a single Pauli string `p`. Returns the output Pauli + /// strings and their real coefficients (zero entries omitted). + pub fn action(&self, p: &Word) -> Vec<(Word, f64)> { + let mut out: FxHashMap = FxHashMap::default(); + let mut s1 = Vec::new(); + let mut s2 = Vec::new(); + self.accumulate_action(p, 1.0, &mut out, &mut s1, &mut s2); + out.into_iter().filter(|(_, c)| *c != 0.0).collect() + } + + /// Off-basis component of `L*( Σ_j coeffs[j] · basis[j] )`. Output + /// strings that lie in `basis` or in `protected` are dropped. + pub fn leakage( + &self, + basis: &[Word], + coeffs: &[f64], + protected: &[Word], + ) -> Result, Error> { + if basis.len() != coeffs.len() { + return Err(Error::LengthMismatch { + what: "basis and coeffs", + a: basis.len(), + b: coeffs.len(), + }); + } + // Hash-only membership tables: storing 8-byte `u64` keys instead + // of 48-byte Words shrinks the in-basis structure ~6×, keeping it + // in L3 (and often L2) at basis sizes where the full-Word version + // would spill to DRAM. Each query then costs ~30 ns instead of + // ~500 ns. False-positive risk from a 64-bit hash collision is + // ≈ N/2⁶⁴ per lookup (e.g. ≈ 3·10⁻¹⁴ at N = 5·10⁵); the worst-case + // cost is occasionally dropping a single leakage entry that should + // have been kept, which is negligible against `tau_add` and other + // approximations. + let in_basis: FxHashMap = basis.iter().map(|w| (word_hash(w), ())).collect(); + let protected_set: FxHashMap = + protected.iter().map(|w| (word_hash(w), ())).collect(); + + // `map_init` gives each rayon worker a thread-local scratch tuple + // that lives for the duration of the par_iter. We reuse the + // hashmap + scratch vectors across all basis elements processed + // by the same thread — the previous per-task allocations were a + // real cost at large basis sizes. + let local: Vec> = basis + .par_iter() + .zip(coeffs.par_iter()) + .map_init( + || { + ( + Vec::::with_capacity(self.n_qubits), + Vec::::with_capacity(128), + FxHashMap::>::with_capacity_and_hasher( + 128, + FxBuildHasher::default(), + ), + ) + }, + |(s1, s2, lm), (p, &c)| { + if let Some(r) = self.action_cache.get(p) { + let terms = r.value(); + let mut out = Vec::with_capacity(terms.len()); + for (w, v) in terms.iter() { + let h = word_hash(w); + if !in_basis.contains_key(&h) && !protected_set.contains_key(&h) { + out.push((w.clone(), c * *v)); + } + } + out + } else { + let terms = self.compute_action_terms(p, s1, s2, lm); + let mut out = Vec::with_capacity(terms.len()); + for (w, v) in terms.iter() { + let h = word_hash(w); + if !in_basis.contains_key(&h) && !protected_set.contains_key(&h) { + out.push((w.clone(), c * *v)); + } + } + self.action_cache.insert(p.clone(), terms); + out + } + }, + ) + .collect(); + + let mut merged: FxHashMap = FxHashMap::default(); + for v in local { + for (k, val) in v { + *merged.entry(k).or_insert(0.0) += val; + } + } + Ok(merged.into_iter().filter(|(_, c)| *c != 0.0).collect()) + } + + /// Sparse generator matrix in COO form: returns `(row, col, val)` + /// triplets. Row = output Pauli's position in `basis`; col = input + /// Pauli's position. Output Paulis not in `basis` are silently dropped. + pub fn generator(&self, basis: &[Word]) -> Vec<(usize, usize, f64)> { + let index: FxHashMap = basis + .iter() + .enumerate() + .map(|(i, w)| (w.clone(), i as u32)) + .collect(); + + // The cached `L*(p)` is already a deduplicated `Vec<(Word, f64)>`, + // so we can iterate it directly without going through a per-task + // `FxHashMap` accumulator (which was the previous hot spot). + let local: Vec> = basis + .par_iter() + .enumerate() + .map_init( + || { + ( + Vec::::with_capacity(self.n_qubits), + Vec::::with_capacity(128), + FxHashMap::>::with_capacity_and_hasher( + 128, + FxBuildHasher::default(), + ), + ) + }, + |(s1, s2, lm), (col, p)| { + let mut out: Vec<(usize, usize, f64)>; + if let Some(r) = self.action_cache.get(p) { + let terms = r.value(); + out = Vec::with_capacity(terms.len()); + for (w, v) in terms.iter() { + if let Some(&row) = index.get(w) { + out.push((row as usize, col, *v)); + } + } + } else { + let terms = self.compute_action_terms(p, s1, s2, lm); + out = Vec::with_capacity(terms.len()); + for (w, v) in terms.iter() { + if let Some(&row) = index.get(w) { + out.push((row as usize, col, *v)); + } + } + self.action_cache.insert(p.clone(), terms); + } + out + }, + ) + .collect(); + + // Pre-allocate the flat output to avoid sequential push reallocation. + let total: usize = local.iter().map(|v| v.len()).sum(); + let mut flat = Vec::with_capacity(total); + for v in local { + flat.extend(v); + } + flat + } + + /// Build the generator restricted to `basis` directly in CSR form, + /// skipping the intermediate `(row, col, val)` triplet materialisation. + /// + /// Algorithm: each task computes its column's contributions and writes + /// them into a thread-local `(col_idx, values)` buffer plus a per-row + /// count. Counts are then prefix-summed across threads into the final + /// CSR `row_ptr`, and a second parallel pass scatters each task's data + /// into the right CSR positions. This avoids both the + /// `Vec>` → `Vec<...>` flatten *and* the sequential + /// `from_triplets` count-and-scatter that dominated the original + /// `generator_csr` (~40% of PC-step wall time). + pub fn generator_csr(&self, basis: &[Word]) -> CsrMatrix { + let n = basis.len(); + if n == 0 { + return CsrMatrix { + n: 0, + row_ptr: vec![0], + col_idx: Vec::new(), + values: Vec::new(), + }; + } + + let index: FxHashMap = basis + .iter() + .enumerate() + .map(|(i, w)| (w.clone(), i as u32)) + .collect(); + + // Phase 1: per-column, collect `(row, value)` pairs (already + // filtered to in-basis), in parallel with thread-local scratch. + let cols: Vec> = basis + .par_iter() + .map_init( + || { + ( + Vec::::with_capacity(self.n_qubits), + Vec::::with_capacity(128), + FxHashMap::>::with_capacity_and_hasher( + 128, + FxBuildHasher::default(), + ), + ) + }, + |(s1, s2, lm), p| { + let mut out: Vec<(u32, f64)>; + if let Some(r) = self.action_cache.get(p) { + let terms = r.value(); + out = Vec::with_capacity(terms.len()); + for (w, v) in terms.iter() { + if let Some(&row) = index.get(w) { + out.push((row, *v)); + } + } + } else { + let terms = self.compute_action_terms(p, s1, s2, lm); + out = Vec::with_capacity(terms.len()); + for (w, v) in terms.iter() { + if let Some(&row) = index.get(w) { + out.push((row, *v)); + } + } + self.action_cache.insert(p.clone(), terms); + } + out + }, + ) + .collect(); + + // Phase 2: per-row counts. Each task scans its column and bumps + // an atomic per-row counter; total cost is `O(nnz / threads)`. + use std::sync::atomic::{AtomicU32, Ordering}; + let row_counts: Vec = (0..n).map(|_| AtomicU32::new(0)).collect(); + cols.par_iter().for_each(|col_data| { + for &(row, _) in col_data.iter() { + row_counts[row as usize].fetch_add(1, Ordering::Relaxed); + } + }); + + // Phase 3: prefix-sum the counts into `row_ptr`. Sequential but + // tiny (`O(n)`). + let mut row_ptr = vec![0usize; n + 1]; + for i in 0..n { + let c = row_counts[i].load(Ordering::Relaxed) as usize; + row_ptr[i + 1] = row_ptr[i] + c; + } + let nnz = row_ptr[n]; + + // Phase 4: scatter. Reuse `row_counts` as a per-row write offset + // (atomic fetch-and-add); each task writes its column's entries + // into the row's allocated slot. The increments target distinct + // rows mostly, and even when they collide, atomics on `Relaxed` + // are cheap on modern x86 / ARM. + for c in row_counts.iter() { + c.store(0, Ordering::Relaxed); + } + // We need parallel writes into shared `col_idx` and `values`. + // Safety: each `(row, slot)` pair is unique by construction (every + // (row, col) appears at most once per column, and atomic increment + // gives a unique slot per (row, write) event). We use raw-pointer + // writes inside `unsafe` to express this without RwLock overhead. + let mut col_idx = vec![0u32; nnz]; + let mut values = vec![0f64; nnz]; + let col_idx_ptr = SendPtr(col_idx.as_mut_ptr()); + let values_ptr = SendPtr(values.as_mut_ptr()); + let row_ptr_ref: &[usize] = &row_ptr; + let row_counts_ref: &[AtomicU32] = &row_counts; + // `move` on the closure forces whole-struct capture of `SendPtr` + // (rust 2021 edition does field-level capture by default, which + // would peel the inner `*mut T` and leak the !Sync). All captures + // are Copy (SendPtr) or `&` (refs), so `Fn` is still satisfied. + cols.par_iter() + .enumerate() + .for_each(move |(col, col_data)| { + for &(row, v) in col_data.iter() { + let slot_offset = row_counts_ref[row as usize].fetch_add(1, Ordering::Relaxed); + let pos = row_ptr_ref[row as usize] + slot_offset as usize; + // SAFETY: each `pos` is unique (atomic gives a unique slot + // per (row, write event)) and `pos < nnz` (counter bounded + // by precomputed row count). + unsafe { + col_idx_ptr.write(pos, col as u32); + values_ptr.write(pos, v); + } + } + }); + + CsrMatrix { + n, + row_ptr, + col_idx, + values, + } + } + + /// Predictor-corrector adaptive step. + /// + /// Mutates `basis` (may grow) and `coeffs` in place to reflect the + /// state at time `t + dt`. The step is: + /// + /// 1. **First-hop expansion**: compute leakage from the current state + /// and append any leakage Pauli with `|coeff| > tau_add` to the + /// basis (with starting coefficient 0). + /// 2. **Predictor**: apply `exp(dt · M)` to `coeffs` on the enlarged + /// basis, yielding a predicted state. + /// 3. **Second-hop expansion**: compute leakage from the *predicted* + /// state and append any further leakage strings — these are the + /// second-hop Paulis the predictor flowed into but did not yet have + /// in basis. + /// 4. **Corrector**: redo `exp(dt · M)` on the doubly-enlarged basis + /// starting from the saved pre-step coefficients. + /// + /// Lifts the per-step truncation error from `O(dt²)` (single-hop) to + /// `O(dt³)`. Strings in `protected` are never added to the basis as + /// leakage targets — typically the observable's support, which the + /// caller wants tracked exactly. + /// + /// `num_threads`, when set, runs the entire step inside a freshly built + /// rayon thread pool of that size — useful for benchmarking parallel + /// scaling. When `None`, the global rayon pool is used. + #[allow(clippy::too_many_arguments)] + pub fn pc_step( + &self, + basis: &mut Vec, + coeffs: &mut Vec, + dt: f64, + tau_add: f64, + protected: &[Word], + opts: ExpmOpts, + num_threads: Option, + ) -> Result<(), Error> { + if let Some(n) = num_threads { + let pool = rayon::ThreadPoolBuilder::new() + .num_threads(n) + .build() + .map_err(|e| Error::Internal(format!("rayon pool build: {e}")))?; + pool.install(|| self.pc_step_inner(basis, coeffs, dt, tau_add, protected, opts)) + } else { + self.pc_step_inner(basis, coeffs, dt, tau_add, protected, opts) + } + } + + /// Same as [`Self::pc_step`] but also returns a per-phase timing + /// breakdown (microseconds), for profiling parallel scaling and hot + /// spots. Output: `(leakage1, expand1, gencsr1, expm1, leakage2, + /// expand2, gencsr2, expm2)`. + #[allow(clippy::too_many_arguments)] + pub fn pc_step_timed( + &self, + basis: &mut Vec, + coeffs: &mut Vec, + dt: f64, + tau_add: f64, + protected: &[Word], + opts: ExpmOpts, + num_threads: Option, + ) -> Result { + if let Some(n) = num_threads { + let pool = rayon::ThreadPoolBuilder::new() + .num_threads(n) + .build() + .map_err(|e| Error::Internal(format!("rayon pool build: {e}")))?; + pool.install(|| self.pc_step_inner_timed(basis, coeffs, dt, tau_add, protected, opts)) + } else { + self.pc_step_inner_timed(basis, coeffs, dt, tau_add, protected, opts) + } + } + + fn pc_step_inner_timed( + &self, + basis: &mut Vec, + coeffs: &mut Vec, + dt: f64, + tau_add: f64, + protected: &[Word], + opts: ExpmOpts, + ) -> Result { + let mut t = PcStepTimings::default(); + + let t0 = Instant::now(); + let leak = self.leakage(basis, coeffs, protected)?; + t.leakage1_us = t0.elapsed().as_micros() as u64; + + let t0 = Instant::now(); + for (w, v) in leak { + if v.abs() > tau_add { + basis.push(w); + coeffs.push(0.0); + } + } + t.expand1_us = t0.elapsed().as_micros() as u64; + + let coeffs_pre = coeffs.clone(); + + let t0 = Instant::now(); + let csr = self.generator_csr(basis); + t.gencsr1_us = t0.elapsed().as_micros() as u64; + + let t0 = Instant::now(); + let coeffs_predict = expm_multiply(&csr, dt, coeffs, opts); + t.expm1_us = t0.elapsed().as_micros() as u64; + + let t0 = Instant::now(); + let leak2 = self.leakage(basis, &coeffs_predict, protected)?; + t.leakage2_us = t0.elapsed().as_micros() as u64; + + let t0 = Instant::now(); + let mut coeffs_pre_padded = coeffs_pre; + for (w, v) in leak2 { + if v.abs() > tau_add { + basis.push(w); + coeffs_pre_padded.push(0.0); + } + } + t.expand2_us = t0.elapsed().as_micros() as u64; + + let t0 = Instant::now(); + let csr = self.generator_csr(basis); + t.gencsr2_us = t0.elapsed().as_micros() as u64; + + let t0 = Instant::now(); + *coeffs = expm_multiply(&csr, dt, &coeffs_pre_padded, opts); + t.expm2_us = t0.elapsed().as_micros() as u64; + + Ok(t) + } + + fn pc_step_inner( + &self, + basis: &mut Vec, + coeffs: &mut Vec, + dt: f64, + tau_add: f64, + protected: &[Word], + opts: ExpmOpts, + ) -> Result<(), Error> { + // 1. First-hop expansion. + let leak = self.leakage(basis, coeffs, protected)?; + for (w, v) in leak { + if v.abs() > tau_add { + basis.push(w); + coeffs.push(0.0); + } + } + // 2. Predictor. + let coeffs_pre = coeffs.clone(); + let csr = self.generator_csr(basis); + let coeffs_predict = expm_multiply(&csr, dt, coeffs, opts); + // 3. Second-hop expansion from the predicted state. + let leak2 = self.leakage(basis, &coeffs_predict, protected)?; + let mut coeffs_pre_padded = coeffs_pre; + for (w, v) in leak2 { + if v.abs() > tau_add { + basis.push(w); + coeffs_pre_padded.push(0.0); + } + } + // 4. Corrector: redo from pre-step state on the doubly-enlarged basis. + let csr = self.generator_csr(basis); + *coeffs = expm_multiply(&csr, dt, &coeffs_pre_padded, opts); + Ok(()) + } + + /// Compute the unscaled list of `(output, coefficient)` pairs that + /// `L*(p)` contributes (without the input coefficient). + fn compute_action_terms( + &self, + p: &Word, + scratch_support: &mut Vec, + scratch_cands: &mut Vec, + scratch_local: &mut FxHashMap>, + ) -> Vec<(Word, f64)> { + word_support(p, scratch_support); + let zero = Complex::new(0.0, 0.0); + scratch_local.clear(); + let local = scratch_local; + + // ── i [H, p] ───────────────────────────────────────────────── + candidate_terms(scratch_support, &self.h_support, scratch_cands); + for &i in scratch_cands.iter() { + let h = &self.h_terms[i as usize]; + let (r, eps) = comm_product(&h.word, p); + if eps != 0.0 { + *local.entry(r).or_insert(zero) += Complex::new(h.coeff * eps, 0.0); + } + } + + // ── dissipator ─────────────────────────────────────────────── + candidate_terms(scratch_support, &self.j_support, scratch_cands); + for &k in scratch_cands.iter() { + match &self.j_kinds[k as usize] { + JumpKind::HermitianPauli { word, rate } => { + if anti_commutes(word, p) { + *local.entry(p.clone()).or_insert(zero) += Complex::new(-2.0 * *rate, 0.0); + } + } + JumpKind::General { + terms, + dagger_dagger, + rate, + } => { + let rate_c = Complex::new(*rate, 0.0); + // Sandwich: γ Σ_{a,b} λ_a* λ_b P_a p P_b. + for a in terms { + let (r_ap, phi1) = pauli_mul(&a.word, p); + for b in terms { + let (s, phi2) = pauli_mul(&r_ap, &b.word); + let coeff = + a.coeff.conj() * b.coeff * phase_factor(phi1 + phi2) * rate_c; + *local.entry(s).or_insert(zero) += coeff; + } + } + // -1/2 γ {L†L, p}. For Hermitian Pauli P_c and Pauli p, + // {P_c, p} = 2·sign·R if they commute (P_c·p = sign·R), + // = 0 if they anti-commute. + for c_term in dagger_dagger { + let (r, phase) = pauli_mul(&c_term.word, p); + if phase & 1 == 0 { + let sign = if phase == 0 { 1.0 } else { -1.0 }; + let coeff = -c_term.coeff * rate_c * Complex::new(sign, 0.0); + *local.entry(r).or_insert(zero) += coeff; + } + } + } + } + } + + // L* preserves Hermiticity; imaginary parts must cancel to FP noise. + // `drain()` empties `scratch_local` so its allocation can be reused + // by the next call on the same thread (`Vec` keeps capacity). + local + .drain() + .filter_map(|(w, c)| { + debug_assert!( + c.im.abs() < 1e-9, + "L*(p) produced non-real coefficient {c}; bug in dissipator" + ); + if c.re == 0.0 { None } else { Some((w, c.re)) } + }) + .collect() + } + + /// Accumulate `scale · L*(p)` into `out`, hitting the cache when warm. + fn accumulate_action( + &self, + p: &Word, + scale: f64, + out: &mut FxHashMap, + scratch_support: &mut Vec, + scratch_cands: &mut Vec, + ) { + if let Some(r) = self.action_cache.get(p) { + for (w, c) in r.value().iter() { + *out.entry(w.clone()).or_insert(0.0) += scale * c; + } + return; + } + let mut scratch_local = FxHashMap::default(); + let terms = + self.compute_action_terms(p, scratch_support, scratch_cands, &mut scratch_local); + for (w, c) in terms.iter() { + *out.entry(w.clone()).or_insert(0.0) += scale * c; + } + self.action_cache.insert(p.clone(), terms); + } +} + +/// Compact 64-bit hash of a [`Word`], used as the key in cache-friendly +/// membership tables. +/// +/// `PauliWord::hash` writes its cached `u64` into the supplied `Hasher`; +/// running it through `FxHasher` once mixes the bits enough that the +/// resulting `u64` is well-distributed when stored as a key in a downstream +/// `FxHashMap` (whose outer hash function then needs only a cheap multiply +/// on a `u64` key). The whole call is ~2-5 ns and never touches `Word`'s +/// 32-byte payload, which is the entire point: an `FxHashMap` +/// over the basis has a working set ~6× smaller than `FxHashMap` +/// and stays in L2/L3 well past basis 10⁶. +#[inline(always)] +fn word_hash(w: &Word) -> u64 { + use std::hash::{Hash, Hasher}; + let mut h = fxhash::FxHasher::default(); + w.hash(&mut h); + h.finish() +} + +/// Union of `index[q]` for each `q ∈ p_support`, deduped. +#[inline] +fn candidate_terms(p_support: &[u32], index: &[Vec], scratch: &mut Vec) { + scratch.clear(); + for &q in p_support { + scratch.extend_from_slice(&index[q as usize]); + } + scratch.sort_unstable(); + scratch.dedup(); +} + +#[cfg(test)] +mod tests { + use super::*; + + fn jump_hpauli(s: &str, rate: f64) -> JumpInput { + JumpInput { + lincomb: vec![(s.to_string(), Complex::new(1.0, 0.0))], + rate, + } + } + + #[test] + fn z_dephasing_action_on_x() { + // L = Z on a single qubit; L*(X) = γ(ZXZ - X) = γ(-X - X) = -2γ X. + let spec = LindbladSpec::new( + 1, + &[("X".to_string(), 0.0)], // no Hamiltonian + &[jump_hpauli("Z", 0.5)], + ) + .unwrap(); + let (x, _) = parse_pauli_string("X", 1).unwrap(); + let terms = spec.action(&x); + assert_eq!(terms.len(), 1); + assert!((terms[0].1 - (-1.0)).abs() < 1e-12); // -2·0.5 = -1 + } + + #[test] + fn amplitude_damping_action_on_z() { + // Single-qubit σ⁻ jump: L*(Z) = -γ(I + Z). With γ=1 we expect + // I coefficient = -1, Z coefficient = -1. + let sigma_minus = JumpInput { + lincomb: vec![ + ("X".to_string(), Complex::new(0.5, 0.0)), + ("Y".to_string(), Complex::new(0.0, -0.5)), + ], + rate: 1.0, + }; + let spec = LindbladSpec::new(1, &[], &[sigma_minus]).unwrap(); + let (z, _) = parse_pauli_string("Z", 1).unwrap(); + let terms = spec.action(&z); + let (i_word, _) = parse_pauli_string("I", 1).unwrap(); + let mut i_coeff = 0.0; + let mut z_coeff = 0.0; + for (w, c) in &terms { + if w == &i_word { + i_coeff = *c; + } else if w == &z { + z_coeff = *c; + } + } + assert!((i_coeff - (-1.0)).abs() < 1e-10, "I coeff = {i_coeff}"); + assert!((z_coeff - (-1.0)).abs() < 1e-10, "Z coeff = {z_coeff}"); + } + + #[test] + fn word_codec_roundtrip() { + let codes = [0u8, 1, 2, 3, 1, 0, 3, 2]; + let w = word_from_codes(&codes).unwrap(); + let mut out = vec![0u8; codes.len()]; + codes_from_word(&w, &mut out); + assert_eq!(out.as_slice(), &codes); + } +} diff --git a/crates/ppvm-python-native/Cargo.toml b/crates/ppvm-python-native/Cargo.toml index a4cf41084..01987b189 100644 --- a/crates/ppvm-python-native/Cargo.toml +++ b/crates/ppvm-python-native/Cargo.toml @@ -15,6 +15,7 @@ fxhash = "0.2.1" num = "0.4.3" numpy = "0.27" paste = "1.0.15" +ppvm-lindblad = { version = "0.1.0", path = "../ppvm-lindblad" } ppvm-runtime = { version = "0.1.0", path = "../ppvm-runtime" } ppvm-stim = { version = "0.1.0", path = "../ppvm-stim" } ppvm-tableau = { version = "0.1.0", path = "../ppvm-tableau" } diff --git a/crates/ppvm-python-native/src/lindblad.rs b/crates/ppvm-python-native/src/lindblad.rs index 1a394c06d..6807845ef 100644 --- a/crates/ppvm-python-native/src/lindblad.rs +++ b/crates/ppvm-python-native/src/lindblad.rs @@ -1,441 +1,144 @@ // SPDX-FileCopyrightText: 2026 The PPVM Authors // SPDX-License-Identifier: Apache-2.0 -//! Rust shim for direct Pauli-Lindbladian time evolution on an adaptive -//! Pauli-string basis. See `xy-experiments/main_k_adaptive.py` for the -//! Python driver that owns the linear algebra and basis adaptation. +//! PyO3 wrapper around [`ppvm_lindblad::LindbladSpec`]. //! -//! Given a Hermitian Pauli Hamiltonian `H = Σ c_i P_i` and Hermitian Pauli -//! jump operators `L_k` with rates `γ_k ≥ 0`, the adjoint Lindbladian acts -//! on an operator `p` (a single Pauli string) as -//! -//! ```text -//! L*(p) = i Σ_i c_i [P_i, p] + Σ_k γ_k (L_k p L_k − p). -//! ``` -//! -//! For Hermitian Pauli `P` and Hermitian Pauli `p`, the product `P · p` has -//! a phase in `{±1, ±i}`. Real phase ⇔ commute (no contribution to the -//! commutator); imaginary phase ⇔ anti-commute, in which case -//! `[P, p] = 2 P p` and `i · 2 P p ∈ {+2 r, −2 r}` where `r = P ⊕ p` (xz -//! bits XORed). Hermitian Pauli jumps give `L p L = ±p`: the anti-commuting -//! case contributes `−2 γ_k · p` (diagonal). -//! -//! The hot path bypasses the higher-level `PauliWord` / `PhasedPauliWord` -//! types because their `set()`/`rehash()` calls dominate when this code is -//! invoked O(10^5) times per evolution step. Each Pauli string is held as -//! a packed pair of bit arrays (`[u8; W]` for X-bits and `[u8; W]` for -//! Z-bits) and we run a single fused multiply that produces both the -//! product phase and the XOR'd output in one byte-level pass. - -use dashmap::DashMap; -use fxhash::{FxBuildHasher, FxHashMap}; +//! All algorithmic work — Pauli arithmetic, active-site iteration, cache +//! management, and the dissipator branches (Hermitian Pauli fast path vs +//! general complex Pauli sum) — lives in the [`ppvm_lindblad`] crate. This +//! module is responsible only for the Python boundary: decoding the +//! `(N, n_qubits)` numpy uint8 arrays into [`ppvm_lindblad::Word`] vectors, +//! and re-encoding outputs back into numpy. + +use num::Complex; use numpy::{IntoPyArray, PyArray1, PyArray2, PyArrayMethods, PyReadonlyArray1, PyReadonlyArray2}; +use ppvm_lindblad::{ + ExpmOpts, JumpInput, LindbladSpec as CoreSpec, Word, codes_from_word, word_from_codes, +}; use pyo3::{exceptions::PyValueError, prelude::*}; -use rayon::prelude::*; - -/// Bytes per X / Z bit array. 16 bytes = 128 bits, covers up to 128 qubits. -const W: usize = 16; - -/// Packed key: first `W` bytes are the X-bit array, next `W` bytes are the -/// Z-bit array. Equality and hashing are over the 32 raw bytes. -#[derive(Clone, Copy, PartialEq, Eq, Hash)] -struct Word { - x: [u8; W], - z: [u8; W], -} - -impl Word { - #[inline(always)] - fn zero() -> Self { - Self { - x: [0; W], - z: [0; W], - } - } -} -/// Parsed Hamiltonian or jump term: the packed Pauli word and its real -/// coefficient (or rate, for a jump). -#[derive(Clone)] -struct Term { - word: Word, - coeff: f64, -} - -/// `(out_basis, out_coeffs)` — packed Pauli rows + their real coefficients. type PyPauliMap<'py> = (Bound<'py, PyArray2>, Bound<'py, PyArray1>); -/// `(rows, cols, vals)` — COO triplets for a real sparse matrix. type PyCoo<'py> = ( Bound<'py, PyArray1>, Bound<'py, PyArray1>, Bound<'py, PyArray1>, ); -/// Precompiled Lindbladian. Constructed once from string-form Hamiltonian -/// terms + jump operators; reused across many calls to `action`, -/// `leakage`, `generator`. -/// -/// `action_cache` memoises the per-input contribution list, the Rust -/// analogue of the `@lru_cache(None)` in the original Python driver. -/// Without it, every `leakage`/`generator` call re-derives the same -/// `L*(p)` from scratch for the same Pauli strings. -#[pyclass] -pub struct LindbladSpec { - n_qubits: usize, - h_terms: Vec, - j_terms: Vec, - /// `h_support[q]` = indices of Hamiltonian terms acting on qubit `q`. - h_support: Vec>, - /// `j_support[q]` = indices of jump operators acting on qubit `q`. - j_support: Vec>, - /// `action_cache[p]` = unscaled list of `(output_word, contribution)` - /// pairs from `L*(p)` excluding the input coefficient. Callers - /// multiply through by `scale` at the use site. - action_cache: DashMap, FxBuildHasher>, -} - -// ────────────────── codec helpers ────────────────── - -/// Set qubit `q` of `w` to the Pauli encoded by code `b ∈ {0,1,2,3}`. -/// 0 = I, 1 = X, 2 = Z, 3 = Y. (Bit layout: x = b & 1, z = (b >> 1) & 1.) -#[inline(always)] -fn set_code(w: &mut Word, q: usize, b: u8) { - let byte = q >> 3; - let mask = 1u8 << (q & 7); - if b & 1 != 0 { - w.x[byte] |= mask; - } - if b & 2 != 0 { - w.z[byte] |= mask; - } -} - -/// Inverse of `set_code`: read qubit `q` of `w` and return the Pauli code. -#[inline(always)] -fn get_code(w: &Word, q: usize) -> u8 { - let byte = q >> 3; - let mask = 1u8 << (q & 7); - let xb = ((w.x[byte] & mask) != 0) as u8; - let zb = ((w.z[byte] & mask) != 0) as u8; - xb | (zb << 1) -} - -/// Decode a row of `n_qubits` Pauli codes into a `Word`. -fn word_from_codes(codes: &[u8], n_qubits: usize) -> PyResult { - if codes.len() != n_qubits { - return Err(PyValueError::new_err(format!( - "Expected {n_qubits} Pauli codes per row, got {}", - codes.len() - ))); - } - let mut w = Word::zero(); - for (q, &b) in codes.iter().enumerate() { - if b > 3 { - return Err(PyValueError::new_err(format!( - "Pauli code must be 0 (I), 1 (X), 2 (Z), or 3 (Y); got {b}" - ))); - } - if b != 0 { - set_code(&mut w, q, b); - } - } - Ok(w) -} - -/// Write `w` into `out` as `n_qubits` Pauli codes (one byte each). -fn codes_from_word(w: &Word, n_qubits: usize, out: &mut [u8]) { - debug_assert_eq!(out.len(), n_qubits); - for (q, slot) in out.iter_mut().take(n_qubits).enumerate() { - *slot = get_code(w, q); - } +fn map_err(e: ppvm_lindblad::Error) -> PyErr { + PyValueError::new_err(e.to_string()) } -/// Parse a string `"IXYZ..."` into a `Word` and the list of qubits where -/// the Pauli is non-identity (the term's support). -fn parse_term(s: &str, n_qubits: usize) -> PyResult<(Word, Vec)> { - let chars: Vec = s.chars().filter(|c| *c != '_').collect(); - if chars.len() != n_qubits { - return Err(PyValueError::new_err(format!( - "Pauli string \"{s}\" has length {} but n_qubits = {n_qubits}", - chars.len() - ))); - } - if n_qubits > 8 * W { +/// Decode a `(N, n_qubits)` uint8 ndarray view into `N` packed [`Word`]s. +fn decode_basis(view: &numpy::ndarray::ArrayView2, n_qubits: usize) -> PyResult> { + let n_basis = view.shape()[0]; + let n_cols = view.shape()[1]; + if n_cols != n_qubits { return Err(PyValueError::new_err(format!( - "LindbladSpec supports n_qubits ≤ {}; got {n_qubits}", - 8 * W + "basis has {n_cols} columns but spec.n_qubits = {n_qubits}" ))); } - let mut word = Word::zero(); - let mut support: Vec = Vec::new(); - for (q, c) in chars.into_iter().enumerate() { - let code: u8 = match c { - 'I' => 0, - 'X' => 1, - 'Z' => 2, - 'Y' => 3, - other => { - return Err(PyValueError::new_err(format!( - "Invalid Pauli character '{other}' in \"{s}\"" - ))); - } - }; - if code != 0 { - set_code(&mut word, q, code); - support.push(q as u32); - } - } - Ok((word, support)) -} - -// ────────────────── algebra helpers ────────────────── - -/// `true` if Pauli words `a` and `b` anti-commute. -/// -/// Two Pauli strings anti-commute iff -/// `popcount(a.x & b.z) + popcount(a.z & b.x)` is odd. -#[inline(always)] -fn anti_commutes(a: &Word, b: &Word) -> bool { - let mut bits: u32 = 0; - for i in 0..W { - bits += (a.x[i] & b.z[i]).count_ones(); - bits += (a.z[i] & b.x[i]).count_ones(); - } - bits & 1 == 1 -} - -/// Fused product `h · p`: returns `(out, eps)` where `out.x = h.x ^ p.x`, -/// `out.z = h.z ^ p.z`, and -/// -/// - `eps = 0` if `h` and `p` commute (caller should skip — `[h,p] = 0`), -/// - `eps = -2.0` if `h·p` has phase `+i` (so `i·[h,p] = -2·out`), -/// - `eps = +2.0` if `h·p` has phase `-i` (so `i·[h,p] = +2·out`). -/// -/// Phase = `(2·sign_count + imag_count) mod 4`, where the per-byte XOR/AND -/// formulas are the same ones used by `PhasedPauliWord::mul_assign`. -#[inline(always)] -fn comm_product(h: &Word, p: &Word) -> (Word, f64) { - let mut out = Word::zero(); - let mut sign_count: u32 = 0; - let mut imag_count: u32 = 0; - for i in 0..W { - let a = h.x[i]; - let b = h.z[i]; - let c = p.x[i]; - let d = p.z[i]; - let sign = (a & b & c & !d) | (a & !b & !c & d) | (!a & b & c & d); - let imag = (a & !b & d) | (a & !c & d) | (!a & b & c) | (b & c & !d); - sign_count += sign.count_ones(); - imag_count += imag.count_ones(); - out.x[i] = a ^ c; - out.z[i] = b ^ d; - } - let phase = (2 * sign_count + imag_count) & 3; - let eps = match phase { - 1 => -2.0, - 3 => 2.0, - _ => 0.0, - }; - (out, eps) -} - -/// Union of `index[q]` for each `q ∈ p_support`, deduped. -#[inline] -fn candidate_terms(p_support: &[u32], index: &[Vec], scratch: &mut Vec) { - scratch.clear(); - for &q in p_support { - scratch.extend_from_slice(&index[q as usize]); - } - scratch.sort_unstable(); - scratch.dedup(); -} - -/// Find qubits where `p` is non-identity (the support of `p`). -#[inline] -fn word_support(p: &Word, n_qubits: usize, out: &mut Vec) { - out.clear(); - for q in 0..n_qubits { - let byte = q >> 3; - let mask = 1u8 << (q & 7); - if (p.x[byte] | p.z[byte]) & mask != 0 { - out.push(q as u32); - } - } -} - -/// Compute the unscaled list of `(output, coefficient)` pairs that -/// `L*(p)` would contribute, without the input coefficient. Used by -/// `cached_action` to populate the cache. The scratch buffers are -/// allocated by the caller so this is allocation-light per p. -fn compute_action_terms( - spec: &LindbladSpec, - p: &Word, - scratch_support: &mut Vec, - scratch_cands: &mut Vec, -) -> Vec<(Word, f64)> { - word_support(p, spec.n_qubits, scratch_support); - // Aggregate within a small local map; for typical action sizes the - // overhead of FxHashMap is dwarfed by the dedup it provides. - let mut local: FxHashMap = FxHashMap::default(); - - // Hamiltonian (off-diagonal) terms - candidate_terms(scratch_support, &spec.h_support, scratch_cands); - for &i in scratch_cands.iter() { - let h = &spec.h_terms[i as usize]; - let (r, eps) = comm_product(&h.word, p); - if eps != 0.0 { - *local.entry(r).or_insert(0.0) += h.coeff * eps; - } - } - - // Jump (diagonal) terms — single diagonal entry on `p`. - candidate_terms(scratch_support, &spec.j_support, scratch_cands); - let mut diag: f64 = 0.0; - for &k in scratch_cands.iter() { - let j = &spec.j_terms[k as usize]; - if anti_commutes(&j.word, p) { - diag += -2.0 * j.coeff; + let mut out = Vec::with_capacity(n_basis); + let mut row_buf = vec![0u8; n_qubits]; + for i in 0..n_basis { + let row = view.row(i); + for (q, slot) in row_buf.iter_mut().enumerate() { + *slot = row[q]; } + out.push(word_from_codes(&row_buf).map_err(map_err)?); } - if diag != 0.0 { - *local.entry(*p).or_insert(0.0) += diag; - } - - local.into_iter().collect() + Ok(out) } -/// Accumulate `scale · L*(p)` into `out`, hitting the cache when warm. -fn accumulate_action( - spec: &LindbladSpec, - p: &Word, - scale: f64, - out: &mut FxHashMap, - scratch_support: &mut Vec, - scratch_cands: &mut Vec, -) { - if let Some(r) = spec.action_cache.get(p) { - for (w, c) in r.value().iter() { - *out.entry(*w).or_insert(0.0) += scale * c; - } - return; - } - // Compute, install in cache, and accumulate. - let terms = compute_action_terms(spec, p, scratch_support, scratch_cands); - for (w, c) in terms.iter() { - *out.entry(*w).or_insert(0.0) += scale * c; +/// Pack `Vec<(Word, f64)>` into the standard PyO3 return shape. +fn pack_pauli_map<'py>( + py: Python<'py>, + pairs: Vec<(Word, f64)>, + n_qubits: usize, +) -> PyResult> { + let m = pairs.len(); + let mut basis = vec![0u8; m * n_qubits]; + let mut coeffs = vec![0f64; m]; + for (i, (w, c)) in pairs.into_iter().enumerate() { + codes_from_word(&w, &mut basis[i * n_qubits..(i + 1) * n_qubits]); + coeffs[i] = c; } - // If a concurrent task raced and inserted first, the recomputed - // value is identical so the overwrite is harmless. - spec.action_cache.insert(*p, terms); + let basis_arr = basis + .into_pyarray(py) + .reshape([m, n_qubits]) + .map_err(|e| PyValueError::new_err(format!("reshape failed: {e}")))?; + Ok((basis_arr, coeffs.into_pyarray(py))) } -/// Decode a `(N, n_qubits)` uint8 ndarray view into `N` packed `Word`s. -fn decode_basis(view: &numpy::ndarray::ArrayView2, n_qubits: usize) -> PyResult> { - let n_basis = view.shape()[0]; - let mut out: Vec = Vec::with_capacity(n_basis); - for i in 0..n_basis { - let row = view.row(i); - let mut w = Word::zero(); - for q in 0..n_qubits { - let b = row[q]; - if b > 3 { - return Err(PyValueError::new_err(format!( - "Pauli code must be 0-3; got {b} at row {i}, col {q}" - ))); - } - if b != 0 { - set_code(&mut w, q, b); - } - } - out.push(w); - } - Ok(out) +/// PyO3 facade exposing the Lindbladian shim to Python. +#[pyclass] +pub struct LindbladSpec { + inner: CoreSpec, } -// ────────────────── PyClass ────────────────── - #[pymethods] impl LindbladSpec { + /// Construct a Lindbladian spec from Hamiltonian terms and jump operators. + /// + /// `jump_lincombs[k]` is a list of `(pauli_string, real, imag)` triples + /// encoding `L_k = Σ_a (re + i·im) P_a`. A length-1 jump with `im == 0` + /// is routed to the Hermitian-Pauli fast path (with rate scaled by `re²`). #[new] - #[pyo3(signature = (n_qubits, h_terms, h_coeffs, jump_terms, jump_rates))] + #[pyo3(signature = (n_qubits, h_terms, h_coeffs, jump_lincombs, jump_rates))] fn new( n_qubits: usize, h_terms: Vec, h_coeffs: Vec, - jump_terms: Vec, + jump_lincombs: Vec>, jump_rates: Vec, ) -> PyResult { - if n_qubits > 8 * W { - return Err(PyValueError::new_err(format!( - "LindbladSpec supports n_qubits ≤ {}; got {n_qubits}", - 8 * W - ))); - } if h_terms.len() != h_coeffs.len() { return Err(PyValueError::new_err( "h_terms and h_coeffs must have the same length", )); } - if jump_terms.len() != jump_rates.len() { + if jump_lincombs.len() != jump_rates.len() { return Err(PyValueError::new_err( - "jump_terms and jump_rates must have the same length", + "jump_lincombs and jump_rates must have the same length", )); } - - let mut h: Vec = Vec::with_capacity(h_terms.len()); - let mut h_support_idx: Vec> = vec![Vec::new(); n_qubits]; - for (i, (s, c)) in h_terms.iter().zip(h_coeffs.iter()).enumerate() { - let (word, support) = parse_term(s, n_qubits)?; - for q in support { - h_support_idx[q as usize].push(i as u32); - } - h.push(Term { word, coeff: *c }); - } - - let mut j: Vec = Vec::with_capacity(jump_terms.len()); - let mut j_support_idx: Vec> = vec![Vec::new(); n_qubits]; - for (k, (s, g)) in jump_terms.iter().zip(jump_rates.iter()).enumerate() { - let (word, support) = parse_term(s, n_qubits)?; - for q in support { - j_support_idx[q as usize].push(k as u32); - } - j.push(Term { word, coeff: *g }); - } - - Ok(Self { - n_qubits, - h_terms: h, - j_terms: j, - h_support: h_support_idx, - j_support: j_support_idx, - action_cache: DashMap::with_hasher(FxBuildHasher::default()), - }) + let h: Vec<(String, f64)> = h_terms.into_iter().zip(h_coeffs).collect(); + let jumps: Vec = jump_lincombs + .into_iter() + .zip(jump_rates) + .map(|(lincomb, rate)| JumpInput { + lincomb: lincomb + .into_iter() + .map(|(s, re, im)| (s, Complex::new(re, im))) + .collect(), + rate, + }) + .collect(); + let inner = CoreSpec::new(n_qubits, &h, &jumps).map_err(map_err)?; + Ok(Self { inner }) } - /// Drop all memoised `L*(p)` entries. Useful between independent - /// problems sharing the same spec but acting on disjoint Pauli sets. fn clear_cache(&self) { - self.action_cache.clear(); + self.inner.clear_cache(); } #[getter] fn cache_size(&self) -> usize { - self.action_cache.len() + self.inner.cache_size() } #[getter] fn n_qubits(&self) -> usize { - self.n_qubits + self.inner.n_qubits() } #[getter] fn num_h_terms(&self) -> usize { - self.h_terms.len() + self.inner.num_h_terms() } #[getter] fn num_jump_terms(&self) -> usize { - self.j_terms.len() + self.inner.num_jump_terms() } /// Apply `L*` to a single Pauli string `p`. @@ -445,32 +148,12 @@ impl LindbladSpec { p: PyReadonlyArray1<'py, u8>, ) -> PyResult> { let p_slice = p.as_slice()?; - let p_word = word_from_codes(p_slice, self.n_qubits)?; - let mut out: FxHashMap = FxHashMap::default(); - let mut s1 = Vec::new(); - let mut s2 = Vec::new(); - accumulate_action(self, &p_word, 1.0, &mut out, &mut s1, &mut s2); - - let m = out.len(); - let n = self.n_qubits; - let mut basis = vec![0u8; m * n]; - let mut coeffs = vec![0f64; m]; - for (i, (w, c)) in out.into_iter().enumerate() { - codes_from_word(&w, n, &mut basis[i * n..(i + 1) * n]); - coeffs[i] = c; - } - let basis_arr = basis - .into_pyarray(py) - .reshape([m, n]) - .map_err(|e| PyValueError::new_err(format!("reshape failed: {e}")))?; - Ok((basis_arr, coeffs.into_pyarray(py))) + let p_word = word_from_codes(p_slice).map_err(map_err)?; + let pairs = self.inner.action(&p_word); + pack_pauli_map(py, pairs, self.inner.n_qubits()) } /// Off-basis component of `L*( Σ_j coeffs[j] · basis[j] )`. - /// - /// `basis` is `(N, n_qubits)` uint8 Pauli codes; `coeffs` is length-N - /// float64. Returns `(out_basis, out_coeffs)` with output Paulis NOT - /// in `basis` (and not in `protected`, if given). #[pyo3(signature = (basis, coeffs, protected = None))] fn leakage<'py>( &self, @@ -479,134 +162,184 @@ impl LindbladSpec { coeffs: PyReadonlyArray1<'py, f64>, protected: Option>, ) -> PyResult> { + let n_q = self.inner.n_qubits(); let basis_view = basis.as_array(); - let coeffs_view = coeffs.as_slice()?; - let (n_basis, n_q) = (basis_view.shape()[0], basis_view.shape()[1]); - if n_q != self.n_qubits { - return Err(PyValueError::new_err(format!( - "basis has {n_q} columns but spec.n_qubits = {}", - self.n_qubits - ))); - } - if coeffs_view.len() != n_basis { + let basis_words = decode_basis(&basis_view, n_q)?; + let coeffs_slice = coeffs.as_slice()?; + if coeffs_slice.len() != basis_words.len() { return Err(PyValueError::new_err(format!( - "coeffs has length {} but basis has {n_basis} rows", - coeffs_view.len() + "coeffs has length {} but basis has {} rows", + coeffs_slice.len(), + basis_words.len() ))); } - - let basis_words = decode_basis(&basis_view, self.n_qubits)?; - let in_basis: FxHashMap = basis_words.iter().map(|w| (*w, ())).collect(); - - let protected_set: FxHashMap = if let Some(ref prot) = protected { + let protected_words: Vec = if let Some(ref prot) = protected { let pv = prot.as_array(); - if pv.shape()[1] != self.n_qubits { - return Err(PyValueError::new_err(format!( - "protected has {} columns but spec.n_qubits = {}", - pv.shape()[1], - self.n_qubits - ))); - } - let words = decode_basis(&pv, self.n_qubits)?; - words.into_iter().map(|w| (w, ())).collect() + decode_basis(&pv, n_q)? } else { - FxHashMap::default() + Vec::new() }; - - let local: Vec> = basis_words - .par_iter() - .zip(coeffs_view.par_iter()) - .map(|(p, &c)| { - let mut m: FxHashMap = FxHashMap::default(); - let mut s1 = Vec::new(); - let mut s2 = Vec::new(); - accumulate_action(self, p, c, &mut m, &mut s1, &mut s2); - m - }) - .collect(); - - let mut merged: FxHashMap = FxHashMap::default(); - for m in local { - for (k, v) in m { - if in_basis.contains_key(&k) || protected_set.contains_key(&k) { - continue; - } - *merged.entry(k).or_insert(0.0) += v; - } - } - - let m = merged.len(); - let n = self.n_qubits; - let mut out_basis = vec![0u8; m * n]; - let mut out_coeffs = vec![0f64; m]; - for (i, (w, c)) in merged.into_iter().enumerate() { - codes_from_word(&w, n, &mut out_basis[i * n..(i + 1) * n]); - out_coeffs[i] = c; - } - let basis_arr = out_basis - .into_pyarray(py) - .reshape([m, n]) - .map_err(|e| PyValueError::new_err(format!("reshape failed: {e}")))?; - Ok((basis_arr, out_coeffs.into_pyarray(py))) + let pairs = self + .inner + .leakage(&basis_words, coeffs_slice, &protected_words) + .map_err(map_err)?; + pack_pauli_map(py, pairs, n_q) } - /// Sparse generator matrix in COO form: returns `(rows, cols, vals)` - /// that the caller wraps with scipy. + /// One predictor-corrector adaptive step. /// - /// Row index = output Pauli's position in `basis`; col index = input - /// Pauli's position. Output Paulis not in `basis` are silently - /// dropped (handled by `leakage`). - fn generator<'py>( + /// Internally: expand basis with first-hop leakage, predictor step + /// (`exp(dt·M)`), expand again with second-hop leakage from the + /// predicted state, then redo the step from the pre-step coefficients + /// on the doubly-enlarged basis. The matrix exponential is computed in + /// Rust via Al-Mohy & Higham scaling-and-squaring; no scipy required. + /// + /// Returns `(new_basis, new_coeffs)`. + #[pyo3(signature = ( + basis, coeffs, dt, tau_add, + protected = None, + expm_tol = 1e-12, + parallel_threshold = 50_000, + num_threads = None, + ))] + #[allow(clippy::too_many_arguments)] + fn pc_step<'py>( &self, py: Python<'py>, basis: PyReadonlyArray2<'py, u8>, - ) -> PyResult> { + coeffs: PyReadonlyArray1<'py, f64>, + dt: f64, + tau_add: f64, + protected: Option>, + expm_tol: f64, + parallel_threshold: usize, + num_threads: Option, + ) -> PyResult> { + let n_q = self.inner.n_qubits(); let basis_view = basis.as_array(); - let n_q = basis_view.shape()[1]; - if n_q != self.n_qubits { + let mut basis_words = decode_basis(&basis_view, n_q)?; + let mut coeffs_vec = coeffs.as_slice()?.to_vec(); + if coeffs_vec.len() != basis_words.len() { return Err(PyValueError::new_err(format!( - "basis has {n_q} columns but spec.n_qubits = {}", - self.n_qubits + "coeffs has length {} but basis has {} rows", + coeffs_vec.len(), + basis_words.len() ))); } + let protected_words: Vec = if let Some(ref p) = protected { + decode_basis(&p.as_array(), n_q)? + } else { + Vec::new() + }; + let opts = ExpmOpts { + tol: expm_tol, + parallel_threshold, + }; + self.inner + .pc_step( + &mut basis_words, + &mut coeffs_vec, + dt, + tau_add, + &protected_words, + opts, + num_threads, + ) + .map_err(map_err)?; + + // Pack output. Basis may have grown; coeffs has the same new length. + let pairs: Vec<(Word, f64)> = basis_words.into_iter().zip(coeffs_vec).collect(); + pack_pauli_map(py, pairs, n_q) + } - let basis_words = decode_basis(&basis_view, self.n_qubits)?; - let index: FxHashMap = basis_words - .iter() - .enumerate() - .map(|(i, w)| (*w, i as u32)) - .collect(); - - let local: Vec> = basis_words - .par_iter() - .enumerate() - .map(|(col, p)| { - let mut m: FxHashMap = FxHashMap::default(); - let mut s1 = Vec::new(); - let mut s2 = Vec::new(); - accumulate_action(self, p, 1.0, &mut m, &mut s1, &mut s2); - let mut out = Vec::with_capacity(m.len()); - for (w, v) in m { - if let Some(&row) = index.get(&w) { - out.push((row as u64, col as u64, v)); - } - } - out - }) - .collect(); + /// Same as [`Self::pc_step`] but also returns a dict mapping phase + /// name → microseconds spent in that phase, for profiling. + #[pyo3(signature = ( + basis, coeffs, dt, tau_add, + protected = None, + expm_tol = 1e-12, + parallel_threshold = 50_000, + num_threads = None, + ))] + #[allow(clippy::too_many_arguments)] + fn pc_step_timed<'py>( + &self, + py: Python<'py>, + basis: PyReadonlyArray2<'py, u8>, + coeffs: PyReadonlyArray1<'py, f64>, + dt: f64, + tau_add: f64, + protected: Option>, + expm_tol: f64, + parallel_threshold: usize, + num_threads: Option, + ) -> PyResult<(PyPauliMap<'py>, Bound<'py, pyo3::types::PyDict>)> { + let n_q = self.inner.n_qubits(); + let basis_view = basis.as_array(); + let mut basis_words = decode_basis(&basis_view, n_q)?; + let mut coeffs_vec = coeffs.as_slice()?.to_vec(); + if coeffs_vec.len() != basis_words.len() { + return Err(PyValueError::new_err(format!( + "coeffs has length {} but basis has {} rows", + coeffs_vec.len(), + basis_words.len() + ))); + } + let protected_words: Vec = if let Some(ref p) = protected { + decode_basis(&p.as_array(), n_q)? + } else { + Vec::new() + }; + let opts = ExpmOpts { + tol: expm_tol, + parallel_threshold, + }; + let timings = self + .inner + .pc_step_timed( + &mut basis_words, + &mut coeffs_vec, + dt, + tau_add, + &protected_words, + opts, + num_threads, + ) + .map_err(map_err)?; + + let pairs: Vec<(Word, f64)> = basis_words.into_iter().zip(coeffs_vec).collect(); + let map = pack_pauli_map(py, pairs, n_q)?; + let d = pyo3::types::PyDict::new(py); + d.set_item("leakage1_us", timings.leakage1_us)?; + d.set_item("expand1_us", timings.expand1_us)?; + d.set_item("gencsr1_us", timings.gencsr1_us)?; + d.set_item("expm1_us", timings.expm1_us)?; + d.set_item("leakage2_us", timings.leakage2_us)?; + d.set_item("expand2_us", timings.expand2_us)?; + d.set_item("gencsr2_us", timings.gencsr2_us)?; + d.set_item("expm2_us", timings.expm2_us)?; + Ok((map, d)) + } - let total: usize = local.iter().map(|v| v.len()).sum(); + /// Sparse generator matrix in COO form: `(rows, cols, vals)`. + fn generator<'py>( + &self, + py: Python<'py>, + basis: PyReadonlyArray2<'py, u8>, + ) -> PyResult> { + let n_q = self.inner.n_qubits(); + let basis_view = basis.as_array(); + let basis_words = decode_basis(&basis_view, n_q)?; + let triplets = self.inner.generator(&basis_words); + let total = triplets.len(); let mut rows = Vec::with_capacity(total); let mut cols = Vec::with_capacity(total); let mut vals = Vec::with_capacity(total); - for trips in local { - for (r, c, v) in trips { - rows.push(r); - cols.push(c); - vals.push(v); - } + for (r, c, v) in triplets { + rows.push(r as u64); + cols.push(c as u64); + vals.push(v); } - Ok(( rows.into_pyarray(py), cols.into_pyarray(py), From ea294e3916e57a009134f9ca9758224b419cf8de Mon Sep 17 00:00:00 2001 From: alexschuckert Date: Fri, 29 May 2026 11:27:27 +0100 Subject: [PATCH 04/23] feat(python): Lindbladian pc_step, sigma_plus/minus jumps, convergence tests, scaling demo MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit Wrapper updates and tests for the new `ppvm-lindblad` crate. API additions on `Lindbladian`: - `pc_step` / `pc_step_arr`: thin Python wrappers around the pure-Rust predictor-corrector step. Expose `parallel_threshold`, `num_threads`, and `expm_tol` knobs for benchmarking parallel scaling without re-importing scipy. - Accept jumps as either a Pauli string (Hermitian-Pauli fast path) or a complex Pauli linear combination `Iterable[(str, complex)]` for non-Hermitian dissipators. - `sigma_plus(site, n_qubits)` and `sigma_minus(site, n_qubits)` helpers produce the `(X ± iY)/2` Pauli sums for amplitude damping / thermal excitation. Re-exported from the top-level `ppvm` package. Tests: - Amplitude damping (`test_amplitude_damping_action`, `test_amplitude_damping_generator_and_leakage`) and thermal σ± mix (`test_thermal_excitation_damping_action`) cross-checked against a dense Liouvillian super-operator reference. - Adaptive shim convergence vs the closed Jordan-Wigner bilinear ODE for NN-XY + Z-dephasing on OBC (`test_adaptive_converges_to_nn_xy_z_dephasing_bilinear`). - Predictor-corrector raises the dt-scaling from quadratic to cubic (`test_predictor_corrector_lifts_dt_scaling_to_cubic`). - Pure-Rust pc_step matches scipy-based PC at FP precision (`test_pc_step_rust_matches_scipy_pc`) and exhibits the same cubic dt-scaling against the bilinear reference (`test_pc_step_rust_dt_scaling_is_cubic`). - Length-1 real lincomb routes to the Hermitian fast path (`test_lincomb_single_term_matches_hermitian_fast_path`). Demo: - `demo/lindblad_pc_scaling.py`: end-to-end wall-time scaling sweep with `--max-cores`, `--model {nn,long-range}`, `--alpha`, `--gamma`, `--tau` CLI for HPC nodes. Reports first-step + steady-state ms per thread count with the entire PC step pinned to a per-call rayon pool. Co-Authored-By: Claude Opus 4.7 --- ppvm-python/demo/lindblad_pc_scaling.py | 184 +++++++++ ppvm-python/src/ppvm/__init__.py | 2 + ppvm-python/src/ppvm/lindblad.py | 161 +++++++- ppvm-python/test/test_lindblad.py | 516 +++++++++++++++++++++++- 4 files changed, 850 insertions(+), 13 deletions(-) create mode 100644 ppvm-python/demo/lindblad_pc_scaling.py diff --git a/ppvm-python/demo/lindblad_pc_scaling.py b/ppvm-python/demo/lindblad_pc_scaling.py new file mode 100644 index 000000000..45927aaec --- /dev/null +++ b/ppvm-python/demo/lindblad_pc_scaling.py @@ -0,0 +1,184 @@ +# SPDX-FileCopyrightText: 2026 The PPVM Authors +# SPDX-License-Identifier: Apache-2.0 +"""End-to-end wall-time scaling of the pure-Rust predictor-corrector step +with rayon thread count. + +The entire ``pc_step`` body (both leakage calls, the generator build, and +both ``expm_multiply`` calls) is wrapped in a rayon pool of the requested +size — leakage and generator parallelise over basis elements, the matrix +exponential parallelises over SpMV rows. So the speedup numbers reflect +overall PC throughput, not just SpMV. + +Usage:: + + python lindblad_pc_scaling.py --L 51 --steps 20 --max-cores 16 + +For HPC: ``--max-cores`` is the upper bound of the thread sweep, so on a +32-core node you'd pass ``--max-cores 32`` (or any subset). +""" + +from __future__ import annotations + +import argparse +import importlib.util as _ilu +import sys as _sys +import time +from pathlib import Path as _Path +from statistics import median + +import numpy as np + +# Bypass the `ppvm` package __init__ to avoid a pre-existing stim/bloqade +# version mismatch in the dev env. Pull the bare submodule path directly. +_spec = _ilu.spec_from_file_location( + "_ppvm_lindblad", + _Path(__file__).resolve().parent.parent / "src" / "ppvm" / "lindblad.py", +) +_mod = _ilu.module_from_spec(_spec) +_sys.modules["_ppvm_lindblad"] = _mod +_spec.loader.exec_module(_mod) +Lindbladian = _mod.Lindbladian + + +def build_nn_xy_dephasing(L: int, J: float, gamma: float): + h_terms = [] + for i in range(L - 1): + a, b = i, i + 1 + xs = ["I"] * L + xs[a] = xs[b] = "X" + ys = ["I"] * L + ys[a] = ys[b] = "Y" + h_terms += [("".join(xs), J), ("".join(ys), J)] + jump_terms = [("I" * j + "Z" + "I" * (L - j - 1), gamma) for j in range(L)] + return h_terms, jump_terms + + +def build_long_range_xy_dephasing(L: int, J: float, alpha: float, gamma: float): + """All-to-all XY with 1/r^α couplings (matches the lindblad_adaptive + demo). Operator weight grows much faster than NN because every bond + activates every step, giving a basis size that meaningfully exercises + parallel scaling.""" + pairs = [ + (a, b, 1.0 / min(b - a, L - b + a) ** alpha) + for a in range(L) + for b in range(a + 1, L) + ] + kac = sum(j for _, _, j in pairs) / L + pairs = [(a, b, j / kac) for a, b, j in pairs] + h_terms = [] + for a, b, j in pairs: + for q in "XY": + term = ["I"] * L + term[a] = term[b] = q + h_terms.append(("".join(term), J * j)) + jump_terms = [("I" * j + "Z" + "I" * (L - j - 1), gamma) for j in range(L)] + return h_terms, jump_terms + + +def run_pc_steps(L_op, L, site0, dt, n_steps, tau_add, num_threads): + z_strings = ["I" * j + "Z" + "I" * (L - j - 1) for j in range(L)] + basis = [z_strings[site0]] + coeffs = np.array([1.0]) + protected = [z_strings[site0]] + times = [] + for _ in range(n_steps): + t0 = time.perf_counter() + basis, coeffs = L_op.pc_step( + basis, + coeffs, + dt, + tau_add, + protected=protected, + parallel_threshold=0, + num_threads=num_threads, + ) + times.append(time.perf_counter() - t0) + return times, len(basis) + + +def main(): + parser = argparse.ArgumentParser(description=__doc__.split("\n\n")[0]) + parser.add_argument("--L", type=int, default=51, help="number of qubits") + parser.add_argument("--steps", type=int, default=20, help="PC steps per measurement") + parser.add_argument("--dt", type=float, default=0.05, help="time step") + parser.add_argument("--J", type=float, default=1.0, help="XY exchange") + parser.add_argument("--gamma", type=float, default=1.0, help="Z dephasing rate") + parser.add_argument( + "--model", + choices=("nn", "long-range"), + default="long-range", + help="NN XY or all-to-all 1/r^alpha XY (default: long-range)", + ) + parser.add_argument( + "--alpha", type=float, default=1.0, help="power-law exponent for long-range model" + ) + parser.add_argument( + "--tau", type=float, default=1e-8, help="leakage threshold for basis expansion" + ) + parser.add_argument( + "--max-cores", type=int, default=4, help="upper bound of the thread sweep" + ) + parser.add_argument( + "--warmup-steps", + type=int, + default=4, + help="PC steps to discard before timing (lets the basis settle)", + ) + args = parser.parse_args() + + L = args.L + site0 = L // 2 + if args.model == "nn": + h_terms, jump_terms = build_nn_xy_dephasing(L, args.J, args.gamma) + else: + h_terms, jump_terms = build_long_range_xy_dephasing( + L, args.J, args.alpha, args.gamma + ) + L_op = Lindbladian(L, h_terms, jump_terms) + + # Warmup: pre-build pools at each thread count and amortise one-time setup. + print(f"Warmup (L={L}, {args.warmup_steps} steps per pool size)...") + for n in range(1, args.max_cores + 1): + run_pc_steps(L_op, L, site0, args.dt, args.warmup_steps, args.tau, n) + L_op.clear_cache() + + print() + model_str = ( + "NN XY (OBC)" if args.model == "nn" else f"long-range XY alpha={args.alpha}" + ) + print( + f"{model_str} + Z-dephasing L={L} J={args.J} gamma={args.gamma} " + f"dt={args.dt} tau={args.tau:g}" + ) + print( + f"{args.steps} PC steps per measurement, parallel_threshold=0 " + f"(force parallel SpMV); rayon pool wraps the entire PC step " + f"(leakage + generator + expm)." + ) + print() + header = ( + f"{'threads':>8s} {'first-step (ms)':>16s} {'steady (ms)':>12s} " + f"{'speedup':>9s} {'|basis|':>8s}" + ) + print(header) + print("-" * len(header)) + + baseline = None + for n in range(1, args.max_cores + 1): + L_op.clear_cache() + times, basis_size = run_pc_steps( + L_op, L, site0, args.dt, args.steps, args.tau, n + ) + first = times[0] * 1000.0 + steady = median(times[1:]) * 1000.0 + if baseline is None: + baseline = steady + speedup = baseline / steady + print( + f"{n:>8d} {first:>16.1f} {steady:>12.2f} {speedup:>8.2f}x " + f"{basis_size:>8d}" + ) + + +if __name__ == "__main__": + main() diff --git a/ppvm-python/src/ppvm/__init__.py b/ppvm-python/src/ppvm/__init__.py index 246531d1b..57beb9420 100644 --- a/ppvm-python/src/ppvm/__init__.py +++ b/ppvm-python/src/ppvm/__init__.py @@ -7,6 +7,8 @@ from .generalized_tableau import MeasurementResult as MeasurementResult from .generalized_tableau import sample_stim as sample_stim from .lindblad import Lindbladian as Lindbladian +from .lindblad import sigma_minus as sigma_minus +from .lindblad import sigma_plus as sigma_plus from .paulisum import LossyPauliSum as LossyPauliSum from .paulisum import PauliSum as PauliSum from .squin_interpreter.device import ( diff --git a/ppvm-python/src/ppvm/lindblad.py b/ppvm-python/src/ppvm/lindblad.py index 1197a5be6..00e5f6a60 100644 --- a/ppvm-python/src/ppvm/lindblad.py +++ b/ppvm-python/src/ppvm/lindblad.py @@ -2,9 +2,10 @@ # SPDX-License-Identifier: Apache-2.0 """Direct Pauli-Lindbladian time evolution on an adaptive Pauli-string basis. -Given a Hermitian Pauli Hamiltonian H = Σ c_i P_i and Hermitian Pauli jump -operators L_k with rates γ_k ≥ 0, this module exposes three primitives -needed for adaptive Heisenberg-picture evolution: +Given a Hermitian Pauli Hamiltonian H = Σ c_i P_i and jump operators +L_k = Σ_a λ_{k,a} P_{k,a} (each a complex linear combination of Pauli +strings) with rates γ_k ≥ 0, this module exposes three primitives needed +for adaptive Heisenberg-picture evolution: - ``action(p)`` / ``action_arr(p)``: L*(p) for one Pauli string p - ``leakage(basis, coeffs)`` / ``leakage_arr(...)``: off-basis component of @@ -16,12 +17,23 @@ arrays of Pauli codes (``0=I, 1=X, 2=Z, 3=Y``) and skip string construction entirely — at ~10^5 basis rows per evolution step, per-row ``str.join`` dominates wall time. + +Each jump term can be either: + +- a single Hermitian Pauli (`("ZZII", γ)`), routed to a fast diagonal path, + or +- a complex Pauli sum (`([("XIII", 0.5+0j), ("YIII", 0+0.5j)], γ)`) to + describe e.g. amplitude-damping (`σ⁻`) and excitation (`σ⁺`) operators. + +For the general case the shim evaluates +``γ ( L† p L − ½ {L†L, p} )`` directly; the L†L Pauli expansion is +precomputed once at construction. """ from __future__ import annotations from collections.abc import Iterable, Sequence -from typing import TYPE_CHECKING +from typing import TYPE_CHECKING, Union import numpy as np from ppvm_python_native import LindbladSpec as _LindbladSpec @@ -33,6 +45,11 @@ # Lookup table mapping code -> ASCII byte for vectorised string output. _CODE_TO_ASCII = np.array([ord("I"), ord("X"), ord("Z"), ord("Y")], dtype=np.uint8) +# A jump operator is either a Hermitian Pauli (single string) or a complex +# linear combination of Pauli strings. +PauliLincomb = Iterable[tuple[str, complex]] +JumpSpec = Union[tuple[str, float], tuple[PauliLincomb, float]] + def string_to_codes(s: str, n_qubits: int) -> np.ndarray: """Encode a Pauli string ``"IXYZ..."`` as a length-``n_qubits`` uint8 array.""" @@ -61,6 +78,43 @@ def codes_to_basis(arr: np.ndarray) -> list[str]: return [bytes_per_row[i * n : (i + 1) * n].decode("ascii") for i in range(arr.shape[0])] +def sigma_plus(site: int, n_qubits: int) -> list[tuple[str, complex]]: + """``σ⁺_q = (X_q + i Y_q) / 2``. Use as a Lindblad jump for excitation.""" + if not 0 <= site < n_qubits: + raise ValueError(f"site {site} out of range for n_qubits={n_qubits}") + x_str = "I" * site + "X" + "I" * (n_qubits - site - 1) + y_str = "I" * site + "Y" + "I" * (n_qubits - site - 1) + return [(x_str, 0.5 + 0.0j), (y_str, 0.0 + 0.5j)] + + +def sigma_minus(site: int, n_qubits: int) -> list[tuple[str, complex]]: + """``σ⁻_q = (X_q − i Y_q) / 2``. Use as a Lindblad jump for amplitude damping.""" + if not 0 <= site < n_qubits: + raise ValueError(f"site {site} out of range for n_qubits={n_qubits}") + x_str = "I" * site + "X" + "I" * (n_qubits - site - 1) + y_str = "I" * site + "Y" + "I" * (n_qubits - site - 1) + return [(x_str, 0.5 + 0.0j), (y_str, 0.0 - 0.5j)] + + +def _normalize_jump(jump_op: object) -> list[tuple[str, float, float]]: + """Convert a user-supplied jump operator to ``[(pauli_str, re, im), ...]``. + + Accepts either a single Pauli string (treated as a Hermitian-Pauli jump + with coefficient 1) or an iterable of ``(pauli_str, complex_coeff)`` + pairs. + """ + if isinstance(jump_op, str): + return [(jump_op, 1.0, 0.0)] + out: list[tuple[str, float, float]] = [] + for term in jump_op: + s, c = term + cc = complex(c) + out.append((str(s), float(cc.real), float(cc.imag))) + if not out: + raise ValueError("jump operator lincomb must contain at least one Pauli term") + return out + + class Lindbladian: """Pre-compiled adjoint Pauli-Lindbladian acting on Pauli strings. @@ -73,15 +127,31 @@ class Lindbladian: Hermitian Hamiltonian ``H = Σ c_i P_i``. Each ``pauli_string`` is a length-``n_qubits`` ``str`` over ``"IXYZ"``. jump_terms: - Iterable of ``(pauli_string, rate)`` pairs for the Hermitian Pauli - jump operators ``L_k`` with non-negative rates ``γ_k``. + Iterable of ``(jump_op, rate)`` pairs. ``jump_op`` is either a + Pauli string ``"XYZI..."`` (treated as a Hermitian-Pauli jump + with coefficient 1, hitting the fast path) or an iterable of + ``(pauli_string, complex_coeff)`` pairs for a general complex + Pauli linear combination such as :func:`sigma_plus` or + :func:`sigma_minus`. ``rate`` is the non-negative GKSL rate + ``γ_k``. + + Examples + -------- + Dephasing (Hermitian Pauli): + + >>> Lindbladian(2, [("XX", 1.0)], [("ZI", 0.3), ("IZ", 0.3)]) + + Amplitude damping on site 0 (non-Hermitian): + + >>> jumps = [(sigma_minus(0, 2), 0.5)] + >>> Lindbladian(2, [("XX", 1.0)], jumps) """ def __init__( self, n_qubits: int, h_terms: Iterable[tuple[str, float]], - jump_terms: Iterable[tuple[str, float]] = (), + jump_terms: Iterable[tuple[object, float]] = (), ): self.n_qubits = int(n_qubits) h_strs: list[str] = [] @@ -89,12 +159,12 @@ def __init__( for s, c in h_terms: h_strs.append(s) h_coeffs.append(float(c)) - j_strs: list[str] = [] + j_lincombs: list[list[tuple[str, float, float]]] = [] j_rates: list[float] = [] - for s, g in jump_terms: - j_strs.append(s) - j_rates.append(float(g)) - self._spec = _LindbladSpec(self.n_qubits, h_strs, h_coeffs, j_strs, j_rates) + for jump_op, rate in jump_terms: + j_lincombs.append(_normalize_jump(jump_op)) + j_rates.append(float(rate)) + self._spec = _LindbladSpec(self.n_qubits, h_strs, h_coeffs, j_lincombs, j_rates) @property def num_h_terms(self) -> int: @@ -145,6 +215,73 @@ def leakage_arr( np.ascontiguousarray(protected_arr, dtype=np.uint8), ) + def pc_step_arr( + self, + basis_arr: np.ndarray, + coeffs: np.ndarray, + dt: float, + tau_add: float, + protected_arr: np.ndarray | None = None, + expm_tol: float = 1e-12, + parallel_threshold: int = 50_000, + num_threads: int | None = None, + ) -> tuple[np.ndarray, np.ndarray]: + """One predictor-corrector adaptive step. + + All work — leakage expansion, matrix-exponential step, second-hop + re-expansion, corrector — runs in Rust; SciPy is not required. + The matrix exponential uses Al-Mohy & Higham scaling-and-squaring + with rayon-parallel SpMV when the restricted generator has more + than ``parallel_threshold`` nonzeros. + + ``num_threads``, when set, pins this call to a freshly-built rayon + pool of that size — useful for benchmarking parallel scaling. + + Returns ``(new_basis_arr, new_coeffs)``; the basis may have grown. + """ + n = self.n_qubits + if protected_arr is None: + protected_arr = np.zeros((0, n), dtype=np.uint8) + return self._spec.pc_step( + np.ascontiguousarray(basis_arr, dtype=np.uint8), + np.ascontiguousarray(coeffs, dtype=np.float64), + float(dt), + float(tau_add), + np.ascontiguousarray(protected_arr, dtype=np.uint8), + float(expm_tol), + int(parallel_threshold), + None if num_threads is None else int(num_threads), + ) + + def pc_step( + self, + basis: Sequence[str], + coeffs: np.ndarray, + dt: float, + tau_add: float, + protected: Sequence[str] | None = None, + expm_tol: float = 1e-12, + parallel_threshold: int = 50_000, + num_threads: int | None = None, + ) -> tuple[list[str], np.ndarray]: + """String-keyed variant of :meth:`pc_step_arr`.""" + n = self.n_qubits + basis_arr = basis_to_codes(basis, n) + protected_arr = ( + basis_to_codes(list(protected), n) if protected else np.zeros((0, n), dtype=np.uint8) + ) + new_basis_arr, new_coeffs = self.pc_step_arr( + basis_arr, + coeffs, + dt, + tau_add, + protected_arr, + expm_tol, + parallel_threshold, + num_threads, + ) + return codes_to_basis(new_basis_arr), new_coeffs + def generator_arr(self, basis_arr: np.ndarray) -> sp.csc_matrix: """Sparse generator matrix in CSC form, basis given as uint8 codes. diff --git a/ppvm-python/test/test_lindblad.py b/ppvm-python/test/test_lindblad.py index c96dab239..5f2c7fe88 100644 --- a/ppvm-python/test/test_lindblad.py +++ b/ppvm-python/test/test_lindblad.py @@ -13,7 +13,7 @@ import numpy as np import scipy.sparse.linalg as spla -from ppvm import Lindbladian +from ppvm import Lindbladian, sigma_minus, sigma_plus # --- independent reference via the dense Pauli multiplication table --------- I, X, Y, Z = range(4) # noqa: E741 (I is standard Pauli notation here) @@ -207,3 +207,517 @@ def test_protected_strings_suppressed(): protected_key = next(iter(leak)) leak2 = L_op.leakage(basis, coeffs, protected=[protected_key]) assert protected_key not in leak2 + + +# --- non-Hermitian dissipators: dense Liouvillian reference ----------------- +# +# The dense reference builds full 2^L × 2^L matrices for H and the jumps and +# evaluates L*(p) = i[H, p] + Σ_k γ_k (L_k† p L_k − ½ {L_k† L_k, p}) directly, +# then expands the result in the Pauli basis. Restricted to L ≤ 3 it costs +# 4^L · 8^L FLOPs (a few ms) but it makes no assumption about the shape of +# L_k, so it doubles as a correctness check for the general dissipator path +# in the Rust shim. + +_DENSE_PAULI = { + "I": np.eye(2, dtype=complex), + "X": np.array([[0, 1], [1, 0]], dtype=complex), + "Y": np.array([[0, -1j], [1j, 0]], dtype=complex), + "Z": np.array([[1, 0], [0, -1]], dtype=complex), +} + + +def _pauli_mat(s): + """Dense matrix for Pauli string ``s`` (leftmost char = leftmost factor).""" + M = np.array([[1.0]], dtype=complex) + for c in s: + M = np.kron(M, _DENSE_PAULI[c]) + return M + + +def _all_strings(L): + if L == 0: + return [""] + sub = _all_strings(L - 1) + return [c + s for c in "IXYZ" for s in sub] + + +def _dense_action(H, jumps, p_str, L): + """L*(p) computed densely, returned as a real Pauli-coefficient dict.""" + p_mat = _pauli_mat(p_str) + # np.errstate quiets spurious "divide by zero" warnings emitted by + # macOS Accelerate when complex @ contains exact zeros. + with np.errstate(divide="ignore", invalid="ignore", over="ignore"): + out_mat = 1j * (H @ p_mat - p_mat @ H) + for Lop, gamma in jumps: + Ld = Lop.conj().T + out_mat += gamma * ( + Ld @ p_mat @ Lop - 0.5 * (Ld @ Lop @ p_mat + p_mat @ Ld @ Lop) + ) + d = 2**L + out = {} + for q_str in _all_strings(L): + coef = np.trace(_pauli_mat(q_str) @ out_mat) / d + assert abs(coef.imag) < 1e-9, f"non-real coefficient for {q_str}: {coef}" + if abs(coef.real) > 1e-12: + out[q_str] = coef.real + return out + + +def _embed_op(op_1q, site, L): + """Embed a single-qubit dense operator at ``site`` of an L-qubit register.""" + eye = _DENSE_PAULI["I"] + M = np.array([[1.0]], dtype=complex) + for j in range(L): + M = np.kron(M, op_1q if j == site else eye) + return M + + +_SIGMA_MINUS = np.array([[0, 0], [1, 0]], dtype=complex) +_SIGMA_PLUS = np.array([[0, 1], [0, 0]], dtype=complex) + + +def test_amplitude_damping_action(): + L = 3 + gamma = 0.5 + h_terms = [("XXI", 1.0), ("IXX", 0.7), ("ZIZ", 0.3)] + jump_terms = [(sigma_minus(i, L), gamma) for i in range(L)] + L_op = Lindbladian(L, h_terms, jump_terms) + + H = sum(c * _pauli_mat(s) for s, c in h_terms) + jumps_dense = [(_embed_op(_SIGMA_MINUS, i, L), gamma) for i in range(L)] + + rng = np.random.default_rng(11) + strings = ["III", "ZII", "IZI", "IIZ", "XYZ", "YYZ"] + strings += [_random_pauli_str(rng, L) for _ in range(10)] + + for p in strings: + got = L_op.action(p) + want = _dense_action(H, jumps_dense, p, L) + for k in set(got) | set(want): + diff = abs(got.get(k, 0.0) - want.get(k, 0.0)) + assert diff < 1e-10, ( + f"sigma_minus action mismatch at p={p!r} k={k!r}: " + f"shim={got.get(k, 0.0)} ref={want.get(k, 0.0)} diff={diff}" + ) + + +def test_thermal_excitation_damping_action(): + """σ⁺ + σ⁻ jumps together (thermal bath at finite temperature).""" + L = 2 + h_terms = [("XX", 1.0), ("ZI", 0.2), ("IZ", 0.1)] + jump_terms = [(sigma_minus(i, L), 0.4) for i in range(L)] + [ + (sigma_plus(i, L), 0.1) for i in range(L) + ] + L_op = Lindbladian(L, h_terms, jump_terms) + + H = sum(c * _pauli_mat(s) for s, c in h_terms) + jumps_dense = [(_embed_op(_SIGMA_MINUS, i, L), 0.4) for i in range(L)] + [ + (_embed_op(_SIGMA_PLUS, i, L), 0.1) for i in range(L) + ] + + for p in _all_strings(L): + got = L_op.action(p) + want = _dense_action(H, jumps_dense, p, L) + for k in set(got) | set(want): + diff = abs(got.get(k, 0.0) - want.get(k, 0.0)) + assert diff < 1e-10, ( + f"sigma_plus/sigma_minus action mismatch at p={p!r} k={k!r}: " + f"shim={got.get(k, 0.0)} ref={want.get(k, 0.0)}" + ) + + +def test_amplitude_damping_generator_and_leakage(): + L = 3 + gamma = 0.3 + h_terms = [("XXI", 0.5), ("IXX", 0.5), ("ZII", 0.2), ("IZI", 0.2), ("IIZ", 0.2)] + jump_terms = [(sigma_minus(0, L), gamma), (sigma_minus(2, L), gamma)] + L_op = Lindbladian(L, h_terms, jump_terms) + + basis = ["III", "ZII", "IZI", "IIZ", "ZZI", "IZZ"] + coeffs = np.array([0.1, 0.5, -0.3, 0.4, 0.2, -0.1]) + + H = sum(c * _pauli_mat(s) for s, c in h_terms) + jumps_dense = [(_embed_op(_SIGMA_MINUS, i, L), gamma) for i in (0, 2)] + + M_shim = L_op.generator(basis).toarray() + M_ref = np.zeros((len(basis), len(basis))) + idx = {p: i for i, p in enumerate(basis)} + leak_ref: dict = {} + for col, p in enumerate(basis): + action_p = _dense_action(H, jumps_dense, p, L) + for q, v in action_p.items(): + if q in idx: + M_ref[idx[q], col] += v + else: + leak_ref[q] = leak_ref.get(q, 0.0) + v * coeffs[col] + assert np.max(np.abs(M_shim - M_ref)) < 1e-10 + + leak_shim = L_op.leakage(basis, coeffs) + leak_ref = {k: v for k, v in leak_ref.items() if abs(v) > 1e-14} + for k in set(leak_shim) | set(leak_ref): + diff = abs(leak_shim.get(k, 0.0) - leak_ref.get(k, 0.0)) + assert diff < 1e-10, f"leakage mismatch at k={k!r}: diff={diff}" + + +# --- convergence to closed bilinear evolution (NN XY + Z dephasing, OBC) ---- +# +# For nearest-neighbour interactions the Jordan-Wigner fermion bilinears +# B_{mn} = c_m† c_n stay closed under the adjoint Lindbladian, so the spin +# correlator C_j(t) = 2^{-L} Tr[Z_j(t) Z_i] obeys a tractable L²×L² ODE. +# We use open boundary conditions: with OBC the JW transformation maps the +# spin XY chain to a bilinear fermion hopping problem exactly, free of the +# parity-twist that makes PBC bilinears match only up to 1/L finite-size +# corrections. + + +def _bilinear_nn_xy_z_dephasing_obc(L, J, gamma, times, site0): + """Closed bilinear evolution of C_j(t) for the NN XY + Z-dephasing model + with open boundary conditions. + + `F_{mn}(t) = 2^{-L} Tr[B_{mn}(t) Z_i]` evolves as + `∂_t F_{mn} = i·2J·(F_{m+1,n}+F_{m-1,n}-F_{m,n+1}-F_{m,n-1}) - 4γ(1-δ_{mn})F_{mn}` + on the L×L lattice; OBC means edge terms (m=0 or m=L-1, etc.) drop. + Z_j = I - 2 n_j gives C_j = -2 F_{jj}. + """ + dim = L * L + + def idx(m, n): + return m * L + n + + gen = np.zeros((dim, dim), dtype=complex) + for m in range(L): + for n in range(L): + row = idx(m, n) + if m + 1 < L: + gen[row, idx(m + 1, n)] += 1j * 2 * J + if m - 1 >= 0: + gen[row, idx(m - 1, n)] += 1j * 2 * J + if n + 1 < L: + gen[row, idx(m, n + 1)] += -1j * 2 * J + if n - 1 >= 0: + gen[row, idx(m, n - 1)] += -1j * 2 * J + if m != n: + gen[row, row] += -4 * gamma + + evals, evecs = np.linalg.eig(gen) + evecs_inv = np.linalg.inv(evecs) + f0 = np.zeros(dim, dtype=complex) + f0[idx(site0, site0)] = -0.5 + coeffs = evecs_inv @ f0 + + corr = np.empty((len(times), L)) + diag = [idx(j, j) for j in range(L)] + for nt, t in enumerate(times): + ft = evecs @ (np.exp(evals * t) * coeffs) + corr[nt] = np.real(-2 * ft[diag]) + return corr + + +def _adaptive_z_correlator(L_op, L, site0, dt, n_steps, tau_add): + """Adaptive Heisenberg-picture evolution of Z_{site0} on a growing Pauli + basis. Returns the matrix `C_j(t_n) = ⟨Z_j, Z_{site0}(t_n)⟩` for every + site `j` and step `n`. Matrix exponential is exact in `dt` within the + basis; the only approximation is dropping leakage strings of magnitude + below `tau_add`.""" + z_strings = ["I" * j + "Z" + "I" * (L - j - 1) for j in range(L)] + basis = [z_strings[site0]] + coeffs = np.array([1.0]) + protected = [z_strings[site0]] + + corr = np.zeros((n_steps + 1, L)) + corr[0, site0] = 1.0 + + for step in range(n_steps): + leak = L_op.leakage(basis, coeffs, protected=protected) + new = [k for k, v in leak.items() if abs(v) > tau_add] + if new: + basis = basis + new + coeffs = np.concatenate([coeffs, np.zeros(len(new))]) + M = L_op.generator(basis) + coeffs = spla.expm_multiply(dt * M, coeffs) + index = {s: i for i, s in enumerate(basis)} + for j in range(L): + if z_strings[j] in index: + corr[step + 1, j] = coeffs[index[z_strings[j]]] + return corr + + +def _adaptive_z_correlator_pc(L_op, L, site0, dt, n_steps, tau_add): + """Same as :func:`_adaptive_z_correlator` but with a predictor-corrector + basis expansion at each step. + + 1. Expand basis with first-hop leakage from the current state and save + the (pre-step) coefficients. + 2. Run a predictor step via expm_multiply. + 3. Compute leakage from the predicted state — these are the second-hop + strings the predictor flowed into but did not have in basis. + 4. Add the second-hop strings, pad the saved pre-step coefficients with + zeros for them, and redo the step on the enlarged basis from the + pre-step state. + + The corrector basis covers the second-hop flow, lifting the local + truncation per step from O(dt²) to O(dt³). + """ + z_strings = ["I" * j + "Z" + "I" * (L - j - 1) for j in range(L)] + basis = [z_strings[site0]] + coeffs = np.array([1.0]) + protected = [z_strings[site0]] + + corr = np.zeros((n_steps + 1, L)) + corr[0, site0] = 1.0 + + for step in range(n_steps): + # Predictor basis: add first-hop leakage from current state. + leak = L_op.leakage(basis, coeffs, protected=protected) + new = [k for k, v in leak.items() if abs(v) > tau_add] + if new: + basis = basis + new + coeffs = np.concatenate([coeffs, np.zeros(len(new))]) + coeffs_pre = coeffs.copy() + # Predict. + M = L_op.generator(basis) + coeffs_predict = spla.expm_multiply(dt * M, coeffs) + # Corrector basis: second-hop strings from the predicted state. + leak2 = L_op.leakage(basis, coeffs_predict, protected=protected) + new2 = [k for k, v in leak2.items() if abs(v) > tau_add] + if new2: + basis = basis + new2 + coeffs_pre = np.concatenate([coeffs_pre, np.zeros(len(new2))]) + # Redo the step on the enlarged basis from the pre-step state. + M = L_op.generator(basis) + coeffs = spla.expm_multiply(dt * M, coeffs_pre) + index = {s: i for i, s in enumerate(basis)} + for j in range(L): + if z_strings[j] in index: + corr[step + 1, j] = coeffs[index[z_strings[j]]] + return corr + + +def test_adaptive_converges_to_nn_xy_z_dephasing_bilinear(): + """Halving dt drives the adaptive shim toward the closed bilinear solution + for the NN XY chain with Z dephasing (OBC). + + The single-hop adaptive scheme has local truncation O(dt²) per step + (first-step leakage only adds first-hop strings; second-hop strings appear + inside the matrix exponential but aren't yet in the basis), so global + error is O(T·dt). The test exercises this dt-scaling on a fixed time + window with a leakage threshold τ tight enough that truncation is well + below the integrator floor. + """ + L = 4 + J = 1.0 + gamma = 1.0 + site0 = L // 2 + T = 0.05 + tau_add = 1e-12 # tight enough that integrator (T·dt) dominates + + h_terms = [] + for i in range(L - 1): # OBC: L-1 bonds, no wraparound + a, b = i, i + 1 + xs = ["I"] * L + xs[a] = xs[b] = "X" + ys = ["I"] * L + ys[a] = ys[b] = "Y" + h_terms += [("".join(xs), J), ("".join(ys), J)] + jump_terms = [("I" * j + "Z" + "I" * (L - j - 1), gamma) for j in range(L)] + L_op = Lindbladian(L, h_terms, jump_terms) + + errors = [] + final_corr = None + for dt in (0.01, 0.005, 0.0025): + n_steps = round(T / dt) + times = np.arange(n_steps + 1) * dt + exact = _bilinear_nn_xy_z_dephasing_obc(L, J, gamma, times, site0) + L_op.clear_cache() + shim = _adaptive_z_correlator(L_op, L, site0, dt, n_steps, tau_add) + # Compare only the endpoint to keep the comparison decoupled from + # exactly which step counts we use. + errors.append(float(np.max(np.abs(shim[-1] - exact[-1])))) + if dt == 0.0025: + final_corr = (shim[-1], exact[-1]) + + # First-order dt-scaling: halving dt should roughly halve the error. + # Allow a factor of 2 slack on the predicted 2× drop. + assert errors[1] < 0.8 * errors[0], f"dt-halving did not help: {errors}" + assert errors[2] < 0.8 * errors[1], f"dt-halving did not help: {errors}" + + # At dt = 0.0025 the integrator floor is ~T·dt = 1.25e-4. The shim + # should sit comfortably under 1e-3 against the bilinear reference. + assert errors[-1] < 1e-3, ( + f"shim vs bilinear at smallest dt: max abs error = {errors[-1]:.3g}; " + f"shim={final_corr[0]}, exact={final_corr[1]}" + ) + + +def test_predictor_corrector_lifts_dt_scaling_to_cubic(): + """The predictor-corrector basis expansion lifts the single-hop scheme's + local O(dt²) truncation to O(dt³), so the PC error at fixed T scales as + dt² (one order steeper than the dt-scaling of single-hop). The PC error + is also strictly smaller at every dt we test. + """ + L = 4 + J = 1.0 + gamma = 1.0 + site0 = L // 2 + T = 0.05 + tau_add = 1e-12 + + h_terms = [] + for i in range(L - 1): + a, b = i, i + 1 + xs = ["I"] * L + xs[a] = xs[b] = "X" + ys = ["I"] * L + ys[a] = ys[b] = "Y" + h_terms += [("".join(xs), J), ("".join(ys), J)] + jump_terms = [("I" * j + "Z" + "I" * (L - j - 1), gamma) for j in range(L)] + L_op = Lindbladian(L, h_terms, jump_terms) + + err_single = [] + err_pc = [] + for dt in (0.01, 0.005, 0.0025): + n_steps = round(T / dt) + times = np.arange(n_steps + 1) * dt + exact = _bilinear_nn_xy_z_dephasing_obc(L, J, gamma, times, site0) + L_op.clear_cache() + single = _adaptive_z_correlator(L_op, L, site0, dt, n_steps, tau_add) + L_op.clear_cache() + pc = _adaptive_z_correlator_pc(L_op, L, site0, dt, n_steps, tau_add) + err_single.append(float(np.max(np.abs(single[-1] - exact[-1])))) + err_pc.append(float(np.max(np.abs(pc[-1] - exact[-1])))) + + # PC is strictly more accurate than single-hop at every dt — by ~100× + # in the test regime. Leave the threshold loose enough that small + # changes in expm_multiply tolerance don't flake. + for s, p, dt in zip(err_single, err_pc, (0.01, 0.005, 0.0025)): + assert p < s / 50, ( + f"PC ({p:.3e}) not meaningfully better than single-hop ({s:.3e}) at dt={dt}" + ) + + # PC's dt-scaling is one order steeper. Halving dt should drop the error + # by ~8× (dt³ vs single-hop's ~4× = dt²). Require >5× per halving with + # some safety margin. + from itertools import pairwise + + for prev, curr in pairwise(err_pc): + assert curr < prev / 5, f"PC dt-halving ratio < 5: errors {err_pc}" + + # And the smallest-dt PC error itself should sit at FP noise of the + # bilinear reference. + assert err_pc[-1] < 1e-7, f"PC at smallest dt: error = {err_pc[-1]:.3e}" + + +def _adaptive_z_correlator_pc_rust(L_op, L, site0, dt, n_steps, tau_add): + """Same as :func:`_adaptive_z_correlator_pc` but the per-step PC work + (leakage expansion, predictor expm, second-hop expansion, corrector + expm) all runs in Rust through :meth:`Lindbladian.pc_step`.""" + z_strings = ["I" * j + "Z" + "I" * (L - j - 1) for j in range(L)] + basis = [z_strings[site0]] + coeffs = np.array([1.0]) + protected = [z_strings[site0]] + + corr = np.zeros((n_steps + 1, L)) + corr[0, site0] = 1.0 + + for step in range(n_steps): + basis, coeffs = L_op.pc_step(basis, coeffs, dt, tau_add, protected=protected) + index = {s: i for i, s in enumerate(basis)} + for j in range(L): + if z_strings[j] in index: + corr[step + 1, j] = coeffs[index[z_strings[j]]] + return corr + + +def test_pc_step_rust_matches_scipy_pc(): + """The pure-Rust PC step (Al-Mohy & Higham expm + parallel SpMV) agrees + with the scipy-based PC implementation at FP precision. This pins the + Rust matrix exponential against the well-tested scipy reference under + the exact same basis-expansion schedule.""" + L = 4 + J = 1.0 + gamma = 1.0 + site0 = L // 2 + dt = 0.01 + n_steps = 5 + tau_add = 1e-12 + + h_terms = [] + for i in range(L - 1): + a, b = i, i + 1 + xs = ["I"] * L + xs[a] = xs[b] = "X" + ys = ["I"] * L + ys[a] = ys[b] = "Y" + h_terms += [("".join(xs), J), ("".join(ys), J)] + jump_terms = [("I" * j + "Z" + "I" * (L - j - 1), gamma) for j in range(L)] + L_op = Lindbladian(L, h_terms, jump_terms) + + L_op.clear_cache() + rust = _adaptive_z_correlator_pc_rust(L_op, L, site0, dt, n_steps, tau_add) + L_op.clear_cache() + scipy_pc = _adaptive_z_correlator_pc(L_op, L, site0, dt, n_steps, tau_add) + + # Both schemes share the same algorithm and tolerances; agreement should + # be near FP precision of the matrix-exponential approximation. + diff = float(np.max(np.abs(rust - scipy_pc))) + assert diff < 1e-10, f"Rust PC differs from scipy PC by {diff:.3e}" + + +def test_pc_step_rust_dt_scaling_is_cubic(): + """End-to-end: the Rust-only PC step matches the bilinear reference with + the same dt³ scaling as the scipy version, confirming that the Rust + matrix exponential is not the bottleneck of accuracy.""" + L = 4 + J = 1.0 + gamma = 1.0 + site0 = L // 2 + T = 0.05 + tau_add = 1e-12 + + h_terms = [] + for i in range(L - 1): + a, b = i, i + 1 + xs = ["I"] * L + xs[a] = xs[b] = "X" + ys = ["I"] * L + ys[a] = ys[b] = "Y" + h_terms += [("".join(xs), J), ("".join(ys), J)] + jump_terms = [("I" * j + "Z" + "I" * (L - j - 1), gamma) for j in range(L)] + L_op = Lindbladian(L, h_terms, jump_terms) + + err = [] + for dt in (0.01, 0.005, 0.0025): + n_steps = round(T / dt) + times = np.arange(n_steps + 1) * dt + exact = _bilinear_nn_xy_z_dephasing_obc(L, J, gamma, times, site0) + L_op.clear_cache() + rust = _adaptive_z_correlator_pc_rust(L_op, L, site0, dt, n_steps, tau_add) + err.append(float(np.max(np.abs(rust[-1] - exact[-1])))) + + # Halving dt should drop the error by ≥5× (cubic gives 8×). + from itertools import pairwise + + for prev, curr in pairwise(err): + assert curr < prev / 5, f"Rust PC dt-halving ratio < 5: errors {err}" + assert err[-1] < 1e-7, f"Rust PC tight-dt error too large: {err[-1]:.3e}" + + +def test_lincomb_single_term_matches_hermitian_fast_path(): + """A length-1 real lincomb should be routed to the Hermitian fast path + and produce numerically identical results to passing the string directly.""" + L = 4 + h_terms, jump_simple = _xy_dephasing(L, alpha=1.0, gamma=0.3) + L_simple = Lindbladian(L, h_terms, jump_simple) + # Same operator, expressed as a length-1 complex lincomb. + jump_lincomb = [([(s, 1.0 + 0.0j)], g) for s, g in jump_simple] + L_lincomb = Lindbladian(L, h_terms, jump_lincomb) + + rng = np.random.default_rng(99) + for _ in range(5): + p = _random_pauli_str(rng, L) + got_a = L_simple.action(p) + got_b = L_lincomb.action(p) + for k in set(got_a) | set(got_b): + assert got_a.get(k, 0.0) == got_b.get(k, 0.0), ( + f"lincomb fast path mismatch at p={p!r}: {got_a} vs {got_b}" + ) From 5e702424663a620ec060646515534d6aee14f3c2 Mon Sep 17 00:00:00 2001 From: "copilot-swe-agent[bot]" <198982749+Copilot@users.noreply.github.com> Date: Tue, 2 Jun 2026 01:21:30 +0000 Subject: [PATCH 05/23] Fix SPDX header formatting in lindblad.py --- ppvm-python/src/ppvm/lindblad.py | 1 + 1 file changed, 1 insertion(+) diff --git a/ppvm-python/src/ppvm/lindblad.py b/ppvm-python/src/ppvm/lindblad.py index 00e5f6a60..87b58d12d 100644 --- a/ppvm-python/src/ppvm/lindblad.py +++ b/ppvm-python/src/ppvm/lindblad.py @@ -1,5 +1,6 @@ # SPDX-FileCopyrightText: 2026 The PPVM Authors # SPDX-License-Identifier: Apache-2.0 + """Direct Pauli-Lindbladian time evolution on an adaptive Pauli-string basis. Given a Hermitian Pauli Hamiltonian H = Σ c_i P_i and jump operators From e54b88cbe2a757a2983fbb1e84adc69e051b0cfd Mon Sep 17 00:00:00 2001 From: alexschuckert Date: Tue, 2 Jun 2026 12:54:50 +0100 Subject: [PATCH 06/23] review: address PR #98 review comments MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit Correctness - generator()/pc_step()/pc_step_timed(): reject duplicate basis Pauli words at the PyO3 boundary with a clear ValueError. The underlying row-index map silently overwrote earlier rows on collision, producing a wrong sparse generator. ppvm-lindblad now factors the index-build with uniqueness debug_assert into `build_basis_index(...)`, called from both `generator` and `generator_csr`. New regression test `test_generator_rejects_duplicate_basis`. - `_string_to_codes`: raise `ValueError` naming the bad character; strip `_` separators to match the Rust `parse_pauli_string` parser. API surface - Rename the four codec helpers (string_to_codes, codes_to_string, basis_to_codes, codes_to_basis) to `_`-prefixed module-private names. Dependencies — drop scipy from runtime + tests - Lindbladian.generator{,_arr} now return COO triples (rows, cols, vals) instead of a scipy.sparse.csc_matrix. Users wanting scipy can wrap; see docstring. - Tests replace `scipy.sparse.linalg.expm_multiply` with a numpy eigendecomposition reference (`expm_mv_dense`). - pyproject.toml: scipy removed from `dev`; moved to a new `demo` group (demos still use it for the reference matrix exponential). Test layout - Split the 723-line `test/test_lindblad.py` into `test/lindblad/`: * `_helpers.py` — shared Pauli-table reference, dense Liouvillian reference, bilinear NN-XY+Z-dephasing solver, adaptive PC drivers * `test_action_generator.py` — Hermitian-Pauli action/leakage/generator * `test_non_hermitian_jumps.py` — non-Hermitian (σ-/σ+/thermal) jumps * `test_adaptive_pc.py` — adaptive PC convergence vs bilinear ref * `test_pc_step_rust.py` — pure-Rust pc_step parity + cubic dt-scaling Each test file now ≤ 121 lines. Demos - Both `demo/lindblad_adaptive.py` and `demo/lindblad_pc_scaling.py` rewritten as jupytext percent-format notebooks with markdown narrative cells and end-of-notebook plots, replacing CLI arg parsing with a top-of-file parameter cell. - `lindblad_adaptive.py`: split the monolithic per-step body into `init_mode`, `add_leakage_to_basis`, `prune_and_cap`, `run_mode`; dropped the unnecessary `target_arr = basis_arr.copy()` / `protected_arr = basis_arr.copy()` calls (nothing mutates basis_arr in place — `vstack`/slice rebind). - `lindblad_pc_scaling.py`: dropped the `importlib.util.spec_from_file_location` bypass that was working around `demo/stim.py` shadowing the real `stim` package on `python demo/foo.py` invocations. - Rename `demo/stim.py` → `demo/stim_msd.py` (it's an MSD-circuit demo that happened to share a name with the `stim` package). Benches - Convert `examples/spmv_scaling.rs` (std::time + manual print) to a proper criterion `benches/spmv_scaling.rs` with one entry per thread count `{1, 2, 3, 4, 6, 8, 10}`, each running SpMV inside a `rayon::ThreadPool::install`. Added `criterion` to dev-deps + `[[bench]]` to `ppvm-lindblad/Cargo.toml`. CSR + expm_multiply replacement (left as-is) - Surveyed `sprs`, `nalgebra-sparse`, `russell_sparse`, `faer-rs`: all ship CSR + serial SpMV but none offer rayon-parallel SpMV with the nnz-threshold gating used here. No Rust crate provides Al-Mohy & Higham `expm_multiply` (matrix-free action). Decision documented in PR review replies; happy to revisit if a suitable crate appears. Verification - cargo test -p ppvm-lindblad --lib: 10/10 - pytest test/: 115/115 Co-Authored-By: Claude Opus 4.7 --- Cargo.lock | 1 + crates/ppvm-lindblad/Cargo.toml | 5 + crates/ppvm-lindblad/benches/spmv_scaling.rs | 51 + crates/ppvm-lindblad/examples/spmv_scaling.rs | 65 - crates/ppvm-lindblad/src/lib.rs | 31 +- crates/ppvm-python-native/src/lindblad.rs | 20 + ppvm-python/demo/lindblad_adaptive.py | 500 +- ppvm-python/demo/lindblad_pc_scaling.py | 242 +- ppvm-python/demo/{stim.py => stim_msd.py} | 0 ppvm-python/pyproject.toml | 5 + ppvm-python/src/ppvm/lindblad.py | 94 +- ppvm-python/test/lindblad/__init__.py | 0 ppvm-python/test/lindblad/_helpers.py | 346 + .../test/lindblad/test_action_generator.py | 108 + ppvm-python/test/lindblad/test_adaptive_pc.py | 109 + .../test/lindblad/test_non_hermitian_jumps.py | 106 + .../test/lindblad/test_pc_step_rust.py | 121 + ppvm-python/test/test_lindblad.py | 723 --- ppvm-python/uv.lock | 5751 +++++++++-------- 19 files changed, 4229 insertions(+), 4049 deletions(-) create mode 100644 crates/ppvm-lindblad/benches/spmv_scaling.rs delete mode 100644 crates/ppvm-lindblad/examples/spmv_scaling.rs rename ppvm-python/demo/{stim.py => stim_msd.py} (100%) create mode 100644 ppvm-python/test/lindblad/__init__.py create mode 100644 ppvm-python/test/lindblad/_helpers.py create mode 100644 ppvm-python/test/lindblad/test_action_generator.py create mode 100644 ppvm-python/test/lindblad/test_adaptive_pc.py create mode 100644 ppvm-python/test/lindblad/test_non_hermitian_jumps.py create mode 100644 ppvm-python/test/lindblad/test_pc_step_rust.py delete mode 100644 ppvm-python/test/test_lindblad.py diff --git a/Cargo.lock b/Cargo.lock index 0dc935027..1291e4806 100644 --- a/Cargo.lock +++ b/Cargo.lock @@ -906,6 +906,7 @@ name = "ppvm-lindblad" version = "0.1.0" dependencies = [ "approx", + "criterion", "dashmap", "fxhash", "num", diff --git a/crates/ppvm-lindblad/Cargo.toml b/crates/ppvm-lindblad/Cargo.toml index 0c06c0eaa..c1ee3e930 100644 --- a/crates/ppvm-lindblad/Cargo.toml +++ b/crates/ppvm-lindblad/Cargo.toml @@ -13,3 +13,8 @@ rayon = "1.11" [dev-dependencies] approx = "0.5.1" +criterion = "0.7.0" + +[[bench]] +name = "spmv_scaling" +harness = false diff --git a/crates/ppvm-lindblad/benches/spmv_scaling.rs b/crates/ppvm-lindblad/benches/spmv_scaling.rs new file mode 100644 index 000000000..0ddd202d7 --- /dev/null +++ b/crates/ppvm-lindblad/benches/spmv_scaling.rs @@ -0,0 +1,51 @@ +// SPDX-FileCopyrightText: 2026 The PPVM Authors +// SPDX-License-Identifier: Apache-2.0 + +//! Parallel SpMV scaling on a tridiagonal CSR matrix. One bench per thread +//! count, with each invocation running inside a freshly-built rayon pool of +//! that size to isolate the SpMV path from outer-loop work. + +use criterion::{BenchmarkId, Criterion, Throughput, criterion_group, criterion_main}; +use ppvm_lindblad::CsrMatrix; + +fn build_tridiagonal(n: usize) -> CsrMatrix { + let mut trips = Vec::with_capacity(3 * n); + for i in 0..n { + trips.push((i, i, -2.0)); + if i > 0 { + trips.push((i, i - 1, 1.0)); + } + if i + 1 < n { + trips.push((i, i + 1, 1.0)); + } + } + CsrMatrix::from_triplets(n, &trips) +} + +fn bench_spmv_scaling(c: &mut Criterion) { + let n: usize = 100_000; + let m = build_tridiagonal(n); + let x: Vec = (0..n).map(|i| (i as f64).sin()).collect(); + + let mut group = c.benchmark_group("spmv_parallel"); + group.throughput(Throughput::Elements(m.nnz() as u64)); + + for &threads in &[1usize, 2, 3, 4, 6, 8, 10] { + let pool = rayon::ThreadPoolBuilder::new() + .num_threads(threads) + .build() + .unwrap(); + group.bench_with_input(BenchmarkId::from_parameter(threads), &threads, |b, _| { + b.iter_batched_ref( + || vec![0f64; n], + |y| pool.install(|| m.spmv_parallel(&x, y)), + criterion::BatchSize::SmallInput, + ); + }); + } + + group.finish(); +} + +criterion_group!(benches, bench_spmv_scaling); +criterion_main!(benches); diff --git a/crates/ppvm-lindblad/examples/spmv_scaling.rs b/crates/ppvm-lindblad/examples/spmv_scaling.rs deleted file mode 100644 index 4abe67588..000000000 --- a/crates/ppvm-lindblad/examples/spmv_scaling.rs +++ /dev/null @@ -1,65 +0,0 @@ -// SPDX-FileCopyrightText: 2026 The PPVM Authors -// SPDX-License-Identifier: Apache-2.0 - -//! Tiny SpMV scaling check: builds a tridiagonal CSR matrix of a target -//! `nnz`, times `spmv_parallel` repeatedly inside rayon pools of varying -//! thread counts, and prints the wall time and speedup. Useful to confirm -//! the SpMV path itself scales before debugging higher-level paths. - -use ppvm_lindblad::CsrMatrix; -use std::time::Instant; - -fn build_tridiagonal(n: usize) -> CsrMatrix { - let mut trips = Vec::with_capacity(3 * n); - for i in 0..n { - trips.push((i, i, -2.0)); - if i > 0 { - trips.push((i, i - 1, 1.0)); - } - if i + 1 < n { - trips.push((i, i + 1, 1.0)); - } - } - CsrMatrix::from_triplets(n, &trips) -} - -fn main() { - let n: usize = 100_000; - let m = build_tridiagonal(n); - let x: Vec = (0..n).map(|i| (i as f64).sin()).collect(); - let mut y = vec![0f64; n]; - let n_iters = 1000; - println!( - "n = {n}, nnz = {}, {n_iters} SpMVs per measurement", - m.nnz() - ); - println!(); - println!("{:>8} {:>14} {:>10}", "threads", "wall (ms)", "speedup"); - println!("{}", "-".repeat(36)); - - let mut baseline_ms: Option = None; - for nt in [1usize, 2, 3, 4, 6, 8, 10] { - let pool = rayon::ThreadPoolBuilder::new() - .num_threads(nt) - .build() - .unwrap(); - // warm up - pool.install(|| { - for _ in 0..50 { - m.spmv_parallel(&x, &mut y); - } - }); - let t0 = Instant::now(); - pool.install(|| { - for _ in 0..n_iters { - m.spmv_parallel(&x, &mut y); - } - }); - let wall_ms = t0.elapsed().as_secs_f64() * 1000.0; - let speedup = baseline_ms.unwrap_or(wall_ms) / wall_ms; - if baseline_ms.is_none() { - baseline_ms = Some(wall_ms); - } - println!("{nt:>8} {wall_ms:>14.1} {speedup:>9.2}x"); - } -} diff --git a/crates/ppvm-lindblad/src/lib.rs b/crates/ppvm-lindblad/src/lib.rs index cfd3a85fc..1da78b0e4 100644 --- a/crates/ppvm-lindblad/src/lib.rs +++ b/crates/ppvm-lindblad/src/lib.rs @@ -625,12 +625,11 @@ impl LindbladSpec { /// Sparse generator matrix in COO form: returns `(row, col, val)` /// triplets. Row = output Pauli's position in `basis`; col = input /// Pauli's position. Output Paulis not in `basis` are silently dropped. + /// + /// Precondition: `basis` must not contain duplicate Pauli words + /// (asserted in debug builds). pub fn generator(&self, basis: &[Word]) -> Vec<(usize, usize, f64)> { - let index: FxHashMap = basis - .iter() - .enumerate() - .map(|(i, w)| (w.clone(), i as u32)) - .collect(); + let index = build_basis_index(basis); // The cached `L*(p)` is already a deduplicated `Vec<(Word, f64)>`, // so we can iterate it directly without going through a per-task @@ -705,11 +704,7 @@ impl LindbladSpec { }; } - let index: FxHashMap = basis - .iter() - .enumerate() - .map(|(i, w)| (w.clone(), i as u32)) - .collect(); + let index = build_basis_index(basis); // Phase 1: per-column, collect `(row, value)` pairs (already // filtered to in-basis), in parallel with thread-local scratch. @@ -1108,6 +1103,22 @@ fn word_hash(w: &Word) -> u64 { h.finish() } +/// Build a `word → row` map for a basis assumed to contain unique Pauli +/// words; debug-asserts the uniqueness invariant. +fn build_basis_index(basis: &[Word]) -> FxHashMap { + let mut index: FxHashMap = FxHashMap::default(); + for (i, w) in basis.iter().enumerate() { + let prev = index.insert(w.clone(), i as u32); + debug_assert!( + prev.is_none(), + "basis contains duplicate Pauli word at positions {} and {}", + prev.unwrap(), + i, + ); + } + index +} + /// Union of `index[q]` for each `q ∈ p_support`, deduped. #[inline] fn candidate_terms(p_support: &[u32], index: &[Vec], scratch: &mut Vec) { diff --git a/crates/ppvm-python-native/src/lindblad.rs b/crates/ppvm-python-native/src/lindblad.rs index 6807845ef..7de0b90ed 100644 --- a/crates/ppvm-python-native/src/lindblad.rs +++ b/crates/ppvm-python-native/src/lindblad.rs @@ -10,6 +10,8 @@ //! `(N, n_qubits)` numpy uint8 arrays into [`ppvm_lindblad::Word`] vectors, //! and re-encoding outputs back into numpy. +use std::collections::HashMap; + use num::Complex; use numpy::{IntoPyArray, PyArray1, PyArray2, PyArrayMethods, PyReadonlyArray1, PyReadonlyArray2}; use ppvm_lindblad::{ @@ -28,6 +30,21 @@ fn map_err(e: ppvm_lindblad::Error) -> PyErr { PyValueError::new_err(e.to_string()) } +/// Reject a basis that contains the same Pauli word at two distinct rows. +/// Duplicate rows would silently overwrite each other in the generator's +/// row-index map and produce an incorrect sparse matrix. +fn assert_basis_unique(basis: &[Word]) -> PyResult<()> { + let mut seen: HashMap<&Word, usize> = HashMap::with_capacity(basis.len()); + for (i, w) in basis.iter().enumerate() { + if let Some(prev) = seen.insert(w, i) { + return Err(PyValueError::new_err(format!( + "basis contains duplicate Pauli word at row {prev} and row {i}" + ))); + } + } + Ok(()) +} + /// Decode a `(N, n_qubits)` uint8 ndarray view into `N` packed [`Word`]s. fn decode_basis(view: &numpy::ndarray::ArrayView2, n_qubits: usize) -> PyResult> { let n_basis = view.shape()[0]; @@ -218,6 +235,7 @@ impl LindbladSpec { let n_q = self.inner.n_qubits(); let basis_view = basis.as_array(); let mut basis_words = decode_basis(&basis_view, n_q)?; + assert_basis_unique(&basis_words)?; let mut coeffs_vec = coeffs.as_slice()?.to_vec(); if coeffs_vec.len() != basis_words.len() { return Err(PyValueError::new_err(format!( @@ -277,6 +295,7 @@ impl LindbladSpec { let n_q = self.inner.n_qubits(); let basis_view = basis.as_array(); let mut basis_words = decode_basis(&basis_view, n_q)?; + assert_basis_unique(&basis_words)?; let mut coeffs_vec = coeffs.as_slice()?.to_vec(); if coeffs_vec.len() != basis_words.len() { return Err(PyValueError::new_err(format!( @@ -330,6 +349,7 @@ impl LindbladSpec { let n_q = self.inner.n_qubits(); let basis_view = basis.as_array(); let basis_words = decode_basis(&basis_view, n_q)?; + assert_basis_unique(&basis_words)?; let triplets = self.inner.generator(&basis_words); let total = triplets.len(); let mut rows = Vec::with_capacity(total); diff --git a/ppvm-python/demo/lindblad_adaptive.py b/ppvm-python/demo/lindblad_adaptive.py index 9c2f040fc..227f5d908 100644 --- a/ppvm-python/demo/lindblad_adaptive.py +++ b/ppvm-python/demo/lindblad_adaptive.py @@ -1,260 +1,314 @@ +# --- +# jupyter: +# jupytext: +# cell_metadata_filter: -all +# text_representation: +# extension: .py +# format_name: percent +# format_version: '1.3' +# jupytext_version: 1.19.1 +# kernelspec: +# display_name: ppvm (3.12.12) +# language: python +# name: python3 +# --- + # SPDX-FileCopyrightText: 2026 The PPVM Authors # SPDX-License-Identifier: Apache-2.0 -"""Adaptive Pauli-Lindbladian time evolution on a growing Pauli-string basis. - -Demonstrates ``ppvm.Lindbladian``: direct Heisenberg-picture evolution of a -transport observable under a generic Pauli-Lindbladian -- here an all-to-all -XY model (Kac-normalised 1/r^alpha) with single-site Z dephasing -- *without* -Trotterisation. The observable is kept as a sum over a finite set of Pauli -strings (the "basis"), and each step: - - 1. measures the leakage (1 - P_B) L*(O) out of the current basis B; - 2. adds the leakage strings above ``add_tol`` to B; - 3. advances the coefficient vector by exp(dt * M), where - M = P_B L* P_B is the Lindbladian restricted to B - (scipy.sparse.linalg.expm_multiply on the sparse generator); - 4. prunes coefficients below ``drop_tol`` (a protected set -- the target - observable's own support -- is never dropped). - -The matrix exponential is exact in dt within the basis, so there is no -Trotter splitting error; the only approximation is the finite basis, whose -adequacy is monitored by the cumulative discarded weight. - -``--predictor_corrector 1`` additionally enriches B with the strings the -predictor step flows into and redoes the step, lifting the adaptive- -integration error from O(dt^2) to O(dt^3) at the cost of one extra matrix -exponential per step. - -The observable is the single-Z Fourier mode O_k = sum_j cos(k x_j) Z_j; its -decay C_k(t) = / is the (infinite-temperature) -spin transport coefficient at momentum k. - -Run, e.g.:: - - python lindblad_adaptive.py --L 12 --kmax 2 --steps 20 --dt 0.1 - python lindblad_adaptive.py --L 12 --kmax 2 --predictor_corrector 1 -""" - -from argparse import ArgumentParser +# %% [markdown] +# # Adaptive Pauli-Lindbladian time evolution +# +# Direct Heisenberg-picture evolution of a transport observable on a growing +# Pauli-string basis, without Trotterisation. Composes the three +# `ppvm.Lindbladian` primitives — `leakage`, `generator`, and the matrix +# exponential — into a predictor-corrector integrator on an all-to-all XY +# model (Kac-normalised $1/r^\alpha$ couplings) with single-site Z dephasing. +# +# The observable is kept as a finite sum over Pauli strings (the *basis*), +# and each step: +# +# 1. measures the leakage $(\mathbf 1 - P_B)\,\mathcal L^\dagger(\mathcal O)$ +# out of the current basis $B$; +# 2. adds the leakage strings above `add_tol` to $B$; +# 3. advances the coefficient vector by $\exp(dt\,M)$, where +# $M = P_B \mathcal L^\dagger P_B$ is the Lindbladian restricted to $B$; +# 4. prunes coefficients below `drop_tol`; the protected set (the target +# observable's own support) is never dropped. +# +# The matrix exponential is exact in `dt` within the basis, so there is no +# Trotter splitting error; the only approximation is the finite basis, +# monitored by the cumulative discarded weight. +# +# With `predictor_corrector=True`, the predicted state is fed back as a +# second leakage probe — enriching $B$ with the strings the predictor flows +# into before re-running the step from the pre-step state. This lifts the +# per-step adaptive-integration error from $\mathcal O(dt^2)$ to $\mathcal O(dt^3)$. +# +# The observable is the single-Z Fourier mode +# $\mathcal O_k = \sum_j \cos(k x_j) Z_j$; its decay +# $C_k(t)/C_k(0)$ is the (infinite-temperature) spin transport coefficient. + +# %% +import matplotlib.pyplot as plt import numpy as np +import scipy.sparse as sp from scipy.sparse.linalg import expm_multiply from ppvm import Lindbladian -CONSTANTS = dict( - L=8, alpha=3.0, gamma=0.1, dt=0.05, steps=20, kmax=3, - add_tol=1e-8, drop_tol=1e-10, max_pauli_weight=0, - max_basis=0, predictor_corrector=0, out="", -) -p = ArgumentParser(description=__doc__.splitlines()[0]) -for key, val in CONSTANTS.items(): - p.add_argument(f"--{key}", type=type(val), default=val) -c = p.parse_args() -if c.max_pauli_weight == 0: - c.max_pauli_weight = c.L - -pairs = [(a, b, min(b - a, c.L - b + a)) for a in range(c.L) for b in range(a + 1, c.L)] -kac = sum(1 / r**c.alpha for _, _, r in pairs) / c.L -pairs = [(a, b, 1 / kac / r**c.alpha) for a, b, r in pairs] -times = np.arange(c.steps + 1) * c.dt -n = np.arange(1, c.kmax + 1) -k_modes = 2 * np.pi * n / c.L -x = (np.arange(c.L) - c.L // 2 + c.L // 2) % c.L - c.L // 2 - - -def zterm_codes(j): - """Z on site j as a length-L array of Pauli codes (0=I, 1=X, 2=Z, 3=Y).""" - row = np.zeros(c.L, dtype=np.uint8) - row[j] = 2 # Z - return row - - -def build_hamiltonian_and_jumps(): - """All-to-all XY Hamiltonian H = sum_{a drop_tol: + rows.append(zterm_codes(j)) + coeffs.append(c) + basis_arr = np.array(rows, dtype=np.uint8) + coeff = np.array(coeffs, dtype=float) + index = {row.tobytes(): i for i, row in enumerate(basis_arr)} + protected_keys = set(index) + return basis_arr, coeff, index, protected_keys -def compress(basis_arr, coeff, protected_keys, keep_mask): - basis_arr = basis_arr[keep_mask] - coeff = coeff[keep_mask] +def add_leakage_to_basis(basis_arr, probe_coeff, extend_coeffs, protected_arr, index): + """Compute leakage from `probe_coeff`, add above-threshold strings to + `basis_arr`, and pad each vector in `extend_coeffs` with zeros for the + new rows. Returns ``(basis_arr, [extended...], index, rate_below)`` where + `rate_below` is the l2 norm of the leakage too small to add.""" + leak_basis, leak_coeffs = L_op.leakage_arr(basis_arr, probe_coeff, protected_arr) + if not len(leak_coeffs): + return basis_arr, list(extend_coeffs), index, 0.0 + weights = weights_of(leak_basis) + add_mask = (np.abs(leak_coeffs) > add_tol) & (weights <= max_pauli_weight) + rate_below = float(np.linalg.norm(leak_coeffs[~add_mask])) + if not add_mask.any(): + return basis_arr, list(extend_coeffs), index, rate_below + cand = leak_basis[add_mask] + cand = cand[np.argsort(np.abs(leak_coeffs[add_mask]))[::-1]] + cand = cand[np.array([row.tobytes() not in index for row in cand])] + if max_basis: + cand = cand[: max(max_basis - len(basis_arr), 0)] + if not len(cand): + return basis_arr, list(extend_coeffs), index, rate_below + n0 = len(basis_arr) + basis_arr = np.vstack([basis_arr, cand]) + extended = [np.r_[c, np.zeros(len(cand))] for c in extend_coeffs] + for i, row in enumerate(cand): + index[row.tobytes()] = n0 + i + return basis_arr, extended, index, rate_below + + +def prune_and_cap(basis_arr, coeff, protected_keys): + """Drop below-`drop_tol` coefficients; if `max_basis` is set, cap by + keeping protected rows + largest-magnitude others.""" + keep = np.array( + [(row.tobytes() in protected_keys) or (abs(v) >= drop_tol) + for row, v in zip(basis_arr, coeff)] + ) + basis_arr = basis_arr[keep] + coeff = coeff[keep] keys = [row.tobytes() for row in basis_arr] index = {kk: i for i, kk in enumerate(keys)} protected_keys = {pk for pk in protected_keys if pk in index} + if max_basis and len(basis_arr) > max_basis: + slots = max(max_basis - len(protected_keys), 0) + is_protected = np.array([kk in protected_keys for kk in keys]) + order = sorted(np.where(~is_protected)[0].tolist(), + key=lambda i: abs(coeff[i]), reverse=True) + keep2 = is_protected.copy() + keep2[order[:slots]] = True + basis_arr = basis_arr[keep2] + coeff = coeff[keep2] + keys = [row.tobytes() for row in basis_arr] + index = {kk: i for i, kk in enumerate(keys)} + protected_keys = {pk for pk in protected_keys if pk in index} return basis_arr, coeff, index, protected_keys -def cap_basis(basis_arr, coeff, index, protected_keys): - if not c.max_basis or len(basis_arr) <= c.max_basis: - return basis_arr, coeff, index, protected_keys, 0 - slots = max(c.max_basis - len(protected_keys), 0) - keys = [row.tobytes() for row in basis_arr] - is_protected = np.array([kk in protected_keys for kk in keys]) - cand_idx = np.where(~is_protected)[0] - order = sorted(cand_idx.tolist(), key=lambda i: abs(coeff[i]), reverse=True) - keep_extra = order[:slots] - keep = is_protected.copy() - keep[keep_extra] = True - dropped = len(basis_arr) - int(keep.sum()) - return (*compress(basis_arr, coeff, protected_keys, keep), dropped) - - -Ck = np.empty((c.steps + 1, c.kmax)) -Ck0 = np.empty(c.kmax) -n_basis = np.empty_like(Ck, dtype=np.int64) -max_weight = np.empty_like(Ck, dtype=np.int64) -# Cumulative discarded l2 weight / ||O_target|| is an a posteriori error -# estimate. The "total" (trapezoidal) variant adds the post-step leakage so it -# also bounds the O(dt^2) finite-dt adaptive-integration error, not just the -# truncation error. -discarded_cum = np.zeros_like(Ck) -discarded_cum_total = np.zeros_like(Ck) - -for m, kk in enumerate(k_modes): - # Initial basis: Z_j with cosine projection coefficients (the target). - target_rows, target_coeffs = [], [] - for j, xj in enumerate(x): - coef = float(np.cos(kk * xj)) - if abs(coef) > c.drop_tol: - target_rows.append(zterm_codes(j)) - target_coeffs.append(coef) - basis_arr = np.array(target_rows, dtype=np.uint8) - coeff = np.array(target_coeffs, dtype=float) - target_arr = basis_arr.copy() - target_coeff_arr = coeff.copy() - protected_arr = basis_arr.copy() # never dropped, never emitted as leakage - protected_keys = {row.tobytes() for row in protected_arr} - index = {row.tobytes(): i for i, row in enumerate(basis_arr)} - Ck0[m] = float(np.dot(coeff, coeff)) - norm_target = np.sqrt(Ck0[m]) - - L_op.clear_cache() # action cache is per-k since each k starts a fresh basis - - for nt in range(c.steps + 1): - ck_t = 0.0 - for trow, tc in zip(target_arr, target_coeff_arr): - idx = index.get(trow.tobytes()) - if idx is not None: - ck_t += coeff[idx] * tc - Ck[nt, m] = ck_t / Ck0[m] - n_basis[nt, m] = len(basis_arr) - max_weight[nt, m] = int(weights_of(basis_arr).max()) - if nt == c.steps: +# %% [markdown] +# ## Run one $k$-mode +# +# Returns per-step $C_k(t)$, basis size, max weight, and cumulative discarded +# weight (trapezoidal a-posteriori error estimate normalised by +# $\|\mathcal O_k\|$). + +# %% +def run_mode(kk): + basis_arr, coeff, index, protected_keys = init_mode(kk) + # `basis_arr` rebinds to a new ndarray on every vstack/slice; nothing + # mutates the initial array in place, so the target/protected views can + # simply alias it without a copy. + target_arr = basis_arr + target_coeff = coeff + protected_arr = basis_arr + norm0 = float(np.dot(coeff, coeff)) + norm_target = np.sqrt(norm0) + + ck = np.empty(steps + 1) + n_basis_t = np.empty(steps + 1, dtype=np.int64) + max_w_t = np.empty(steps + 1, dtype=np.int64) + discarded_cum = np.zeros(steps + 1) + + L_op.clear_cache() + for nt in range(steps + 1): + # Overlap with the (fixed) initial target. + c_t = sum(coeff[index[trow.tobytes()]] * tc + for trow, tc in zip(target_arr, target_coeff) + if trow.tobytes() in index) + ck[nt] = c_t / norm0 + n_basis_t[nt] = len(basis_arr) + max_w_t[nt] = int(weights_of(basis_arr).max()) + if nt == steps: break - # Leakage out of the basis; the part below add_tol is irrecoverably - # discarded this step (rate_before), the rest is added to the basis. - leak_basis, leak_coeffs = L_op.leakage_arr(basis_arr, coeff, protected_arr) - if len(leak_coeffs): - lw = weights_of(leak_basis) - add_mask = (np.abs(leak_coeffs) > c.add_tol) & (lw <= c.max_pauli_weight) - rate_before = float(np.linalg.norm(leak_coeffs[~add_mask])) - if add_mask.any(): - cand = leak_basis[add_mask] - cand_abs = np.abs(leak_coeffs[add_mask]) - cand = cand[np.argsort(cand_abs)[::-1]] - cand = cand[dedup_against(cand, index)] - if c.max_basis: - cand = cand[: max(c.max_basis - len(basis_arr), 0)] - if len(cand): - n0 = len(basis_arr) - basis_arr = np.vstack([basis_arr, cand]) - coeff = np.r_[coeff, np.zeros(len(cand))] - for i, row in enumerate(cand): - index[row.tobytes()] = n0 + i - else: - rate_before = 0.0 - - # Predictor: advance the restricted generator (exact in dt). - coeff_t = coeff.copy() - coeff = expm_multiply(c.dt * L_op.generator_arr(basis_arr), coeff) - - if c.predictor_corrector: - # Enrich with the predictor's second-hop strings and redo the step - # from the time-t state on the enriched basis (dt^2 -> dt^3). - lb2, lc2 = L_op.leakage_arr(basis_arr, coeff, protected_arr) - if len(lc2): - w2 = weights_of(lb2) - am2 = (np.abs(lc2) > c.add_tol) & (w2 <= c.max_pauli_weight) - if am2.any(): - cand2 = lb2[am2] - cand2 = cand2[dedup_against(cand2, index)] - if c.max_basis: - cand2 = cand2[: max(c.max_basis - len(basis_arr), 0)] - if len(cand2): - n0 = len(basis_arr) - basis_arr = np.vstack([basis_arr, cand2]) - coeff_t = np.r_[coeff_t, np.zeros(len(cand2))] - for i, row in enumerate(cand2): - index[row.tobytes()] = n0 + i - coeff = expm_multiply( - c.dt * L_op.generator_arr(basis_arr), coeff_t - ) - - w_pre = float(np.dot(coeff, coeff)) + # Predictor: enrich basis with leakage from current state, then + # advance by exp(dt · M). + basis_arr, [coeff], index, rate_before = add_leakage_to_basis( + basis_arr, coeff, [coeff], protected_arr, index + ) + coeff_pre = coeff.copy() + coeff = expm_multiply(dt * generator_sparse(L_op, basis_arr), coeff) + + if predictor_corrector: + # Probe leakage with the predicted state; extend the pre-step + # vector with zeros for the new rows and re-run on the enlarged + # basis. Lifts O(dt²) -> O(dt³). + basis_arr, [coeff_pre], index, _ = add_leakage_to_basis( + basis_arr, coeff, [coeff_pre], protected_arr, index + ) + coeff = expm_multiply(dt * generator_sparse(L_op, basis_arr), coeff_pre) + + # Post-step leakage rate, for the trapezoidal error estimate. + norm2_pre_prune = float(np.dot(coeff, coeff)) _, leak_after = L_op.leakage_arr(basis_arr, coeff, protected_arr) rate_after = float(np.linalg.norm(leak_after)) if len(leak_after) else 0.0 - keep = np.array( - [(row.tobytes() in protected_keys) or (abs(v) >= c.drop_tol) - for row, v in zip(basis_arr, coeff)] - ) - basis_arr, coeff, index, protected_keys = compress( - basis_arr, coeff, protected_keys, keep - ) - basis_arr, coeff, index, protected_keys, _ = cap_basis( - basis_arr, coeff, index, protected_keys - ) - # Pruning/capping only remove entries, so the discarded l2 weight is - # sqrt(||c||^2_pre - ||c||^2_post). - dropped_w = np.sqrt(max(w_pre - float(np.dot(coeff, coeff)), 0.0)) - d_lead = c.dt * rate_before + dropped_w - d_total = 0.5 * c.dt * (rate_before + rate_after) + dropped_w - discarded_cum[nt + 1, m] = discarded_cum[nt, m] + d_lead / norm_target - discarded_cum_total[nt + 1, m] = ( - discarded_cum_total[nt, m] + d_total / norm_target + basis_arr, coeff, index, protected_keys = prune_and_cap( + basis_arr, coeff, protected_keys ) + # Pruning only removes entries, so the discarded l2 weight is + # sqrt(‖c‖²_pre − ‖c‖²_post). + dropped_w = np.sqrt(max(norm2_pre_prune - float(np.dot(coeff, coeff)), 0.0)) + d_total = 0.5 * dt * (rate_before + rate_after) + dropped_w + discarded_cum[nt + 1] = discarded_cum[nt] + d_total / norm_target + + return ck, n_basis_t, max_w_t, discarded_cum + -print(f"L={c.L} gamma={c.gamma} alpha={c.alpha} dt={c.dt} steps={c.steps} " - f"predictor_corrector={c.predictor_corrector}") +# %% [markdown] +# ## Run all $k$-modes and plot + +# %% +Ck = np.empty((steps + 1, kmax)) +n_basis = np.empty((steps + 1, kmax), dtype=np.int64) +max_weight = np.empty((steps + 1, kmax), dtype=np.int64) +discarded_cum = np.empty((steps + 1, kmax)) for m, kk in enumerate(k_modes): - print(f"\nk = 2*pi*{n[m]}/{c.L} = {kk:.4f}") - print(f" {'t':>6} {'C_k(t)':>10} {'n_basis':>8} {'max_wt':>7} {'err_est':>10}") - for nt in range(c.steps + 1): - print(f" {times[nt]:>6.2f} {Ck[nt, m]:>10.6f} {n_basis[nt, m]:>8d} " - f"{max_weight[nt, m]:>7d} {discarded_cum_total[nt, m]:>10.2e}") - -if c.out: - np.savez( - c.out, times=times, k=k_modes, Ck=Ck, Ck0=Ck0, n_basis=n_basis, - max_weight=max_weight, discarded_cum=discarded_cum, - discarded_cum_total=discarded_cum_total, - ) - print(f"\nsaved -> {c.out}") + Ck[:, m], n_basis[:, m], max_weight[:, m], discarded_cum[:, m] = run_mode(kk) + +# %% +fig, ax = plt.subplots() +for m in range(kmax): + ax.plot(times, Ck[:, m], "o-", ms=3, label=rf"$k = 2\pi\cdot{k_indices[m]}/L$") +ax.set_xlabel("$t$") +ax.set_ylabel(r"$C_k(t)/C_k(0)$") +ax.set_title(f"Adaptive Lindbladian evolution L={L} γ={gamma} α={alpha}") +ax.legend() +plt.tight_layout() +plt.show() + +# %% +fig, ax = plt.subplots(1, 2, figsize=(10, 4)) +for m in range(kmax): + ax[0].plot(times, n_basis[:, m], "o-", ms=3, label=rf"$k_{k_indices[m]}$") + ax[1].semilogy(times, discarded_cum[:, m] + 1e-16, "o-", ms=3, + label=rf"$k_{k_indices[m]}$") +ax[0].set(xlabel="$t$", ylabel="|basis|", title="Basis-size growth") +ax[1].set(xlabel="$t$", ylabel=r"cum. discarded / $||O_k||$", + title="A-posteriori error estimate") +for a in ax: + a.legend() +plt.tight_layout() +plt.show() diff --git a/ppvm-python/demo/lindblad_pc_scaling.py b/ppvm-python/demo/lindblad_pc_scaling.py index 45927aaec..0756ebb60 100644 --- a/ppvm-python/demo/lindblad_pc_scaling.py +++ b/ppvm-python/demo/lindblad_pc_scaling.py @@ -1,46 +1,69 @@ +# --- +# jupyter: +# jupytext: +# cell_metadata_filter: -all +# text_representation: +# extension: .py +# format_name: percent +# format_version: '1.3' +# jupytext_version: 1.19.1 +# kernelspec: +# display_name: ppvm (3.12.12) +# language: python +# name: python3 +# --- + # SPDX-FileCopyrightText: 2026 The PPVM Authors # SPDX-License-Identifier: Apache-2.0 -"""End-to-end wall-time scaling of the pure-Rust predictor-corrector step -with rayon thread count. - -The entire ``pc_step`` body (both leakage calls, the generator build, and -both ``expm_multiply`` calls) is wrapped in a rayon pool of the requested -size — leakage and generator parallelise over basis elements, the matrix -exponential parallelises over SpMV rows. So the speedup numbers reflect -overall PC throughput, not just SpMV. -Usage:: +# %% [markdown] +# # `pc_step` parallel scaling +# +# End-to-end wall-time scaling of the pure-Rust predictor-corrector step +# (`ppvm.Lindbladian.pc_step`) with rayon thread count. The entire `pc_step` +# body — both leakage calls, the generator build, and both matrix +# exponentials — runs inside a rayon pool of the requested size: +# +# * leakage and generator parallelise over basis elements; +# * the matrix exponential parallelises over SpMV rows. +# +# So the speedup numbers reflect overall PC throughput, not just SpMV. + +# %% +from statistics import median +import time - python lindblad_pc_scaling.py --L 51 --steps 20 --max-cores 16 +import matplotlib.pyplot as plt +import numpy as np -For HPC: ``--max-cores`` is the upper bound of the thread sweep, so on a -32-core node you'd pass ``--max-cores 32`` (or any subset). -""" +from ppvm import Lindbladian -from __future__ import annotations -import argparse -import importlib.util as _ilu -import sys as _sys -import time -from pathlib import Path as _Path -from statistics import median +# %% [markdown] +# ## Parameters -import numpy as np +# %% +L = 51 +J = 1.0 +gamma = 1.0 +alpha = 1.0 +dt = 0.05 +n_steps = 20 +tau_add = 1e-8 +max_cores = 4 +warmup_steps = 4 +model = "long-range" # "nn" or "long-range" -# Bypass the `ppvm` package __init__ to avoid a pre-existing stim/bloqade -# version mismatch in the dev env. Pull the bare submodule path directly. -_spec = _ilu.spec_from_file_location( - "_ppvm_lindblad", - _Path(__file__).resolve().parent.parent / "src" / "ppvm" / "lindblad.py", -) -_mod = _ilu.module_from_spec(_spec) -_sys.modules["_ppvm_lindblad"] = _mod -_spec.loader.exec_module(_mod) -Lindbladian = _mod.Lindbladian +# %% [markdown] +# ## Model +# +# All-to-all XY with $1/r^\alpha$ couplings (Kac-normalised) and per-site Z +# dephasing. Long-range activates every bond every step, giving a basis +# size that meaningfully exercises parallel scaling. -def build_nn_xy_dephasing(L: int, J: float, gamma: float): +# %% +def build_nn_xy_dephasing(L, J, gamma): h_terms = [] for i in range(L - 1): a, b = i, i + 1 @@ -53,11 +76,7 @@ def build_nn_xy_dephasing(L: int, J: float, gamma: float): return h_terms, jump_terms -def build_long_range_xy_dephasing(L: int, J: float, alpha: float, gamma: float): - """All-to-all XY with 1/r^α couplings (matches the lindblad_adaptive - demo). Operator weight grows much faster than NN because every bond - activates every step, giving a basis size that meaningfully exercises - parallel scaling.""" +def build_long_range_xy_dephasing(L, J, alpha, gamma): pairs = [ (a, b, 1.0 / min(b - a, L - b + a) ** alpha) for a in range(L) @@ -75,6 +94,22 @@ def build_long_range_xy_dephasing(L: int, J: float, alpha: float, gamma: float): return h_terms, jump_terms +if model == "nn": + h_terms, jump_terms = build_nn_xy_dephasing(L, J, gamma) +else: + h_terms, jump_terms = build_long_range_xy_dephasing(L, J, alpha, gamma) +L_op = Lindbladian(L, h_terms, jump_terms) + + +# %% [markdown] +# ## Timing harness +# +# Each call to `run_pc_steps` runs `n_steps` consecutive PC steps from +# $Z_{L/2}$, returning the per-step wall times and the final basis size. +# The `num_threads` kwarg pins this call to a freshly-built rayon pool of +# that size, isolating thread-count effects from JIT cache state. + +# %% def run_pc_steps(L_op, L, site0, dt, n_steps, tau_add, num_threads): z_strings = ["I" * j + "Z" + "I" * (L - j - 1) for j in range(L)] basis = [z_strings[site0]] @@ -96,89 +131,58 @@ def run_pc_steps(L_op, L, site0, dt, n_steps, tau_add, num_threads): return times, len(basis) -def main(): - parser = argparse.ArgumentParser(description=__doc__.split("\n\n")[0]) - parser.add_argument("--L", type=int, default=51, help="number of qubits") - parser.add_argument("--steps", type=int, default=20, help="PC steps per measurement") - parser.add_argument("--dt", type=float, default=0.05, help="time step") - parser.add_argument("--J", type=float, default=1.0, help="XY exchange") - parser.add_argument("--gamma", type=float, default=1.0, help="Z dephasing rate") - parser.add_argument( - "--model", - choices=("nn", "long-range"), - default="long-range", - help="NN XY or all-to-all 1/r^alpha XY (default: long-range)", - ) - parser.add_argument( - "--alpha", type=float, default=1.0, help="power-law exponent for long-range model" - ) - parser.add_argument( - "--tau", type=float, default=1e-8, help="leakage threshold for basis expansion" - ) - parser.add_argument( - "--max-cores", type=int, default=4, help="upper bound of the thread sweep" - ) - parser.add_argument( - "--warmup-steps", - type=int, - default=4, - help="PC steps to discard before timing (lets the basis settle)", - ) - args = parser.parse_args() - - L = args.L - site0 = L // 2 - if args.model == "nn": - h_terms, jump_terms = build_nn_xy_dephasing(L, args.J, args.gamma) - else: - h_terms, jump_terms = build_long_range_xy_dephasing( - L, args.J, args.alpha, args.gamma - ) - L_op = Lindbladian(L, h_terms, jump_terms) +# %% [markdown] +# ## Warmup +# +# Each thread count pre-builds its rayon pool and amortises one-time setup +# before the real timing pass. - # Warmup: pre-build pools at each thread count and amortise one-time setup. - print(f"Warmup (L={L}, {args.warmup_steps} steps per pool size)...") - for n in range(1, args.max_cores + 1): - run_pc_steps(L_op, L, site0, args.dt, args.warmup_steps, args.tau, n) - L_op.clear_cache() +# %% +site0 = L // 2 +for n in range(1, max_cores + 1): + run_pc_steps(L_op, L, site0, dt, warmup_steps, tau_add, n) +L_op.clear_cache() - print() - model_str = ( - "NN XY (OBC)" if args.model == "nn" else f"long-range XY alpha={args.alpha}" - ) - print( - f"{model_str} + Z-dephasing L={L} J={args.J} gamma={args.gamma} " - f"dt={args.dt} tau={args.tau:g}" - ) - print( - f"{args.steps} PC steps per measurement, parallel_threshold=0 " - f"(force parallel SpMV); rayon pool wraps the entire PC step " - f"(leakage + generator + expm)." - ) - print() - header = ( - f"{'threads':>8s} {'first-step (ms)':>16s} {'steady (ms)':>12s} " - f"{'speedup':>9s} {'|basis|':>8s}" - ) - print(header) - print("-" * len(header)) - - baseline = None - for n in range(1, args.max_cores + 1): - L_op.clear_cache() - times, basis_size = run_pc_steps( - L_op, L, site0, args.dt, args.steps, args.tau, n - ) - first = times[0] * 1000.0 - steady = median(times[1:]) * 1000.0 - if baseline is None: - baseline = steady - speedup = baseline / steady - print( - f"{n:>8d} {first:>16.1f} {steady:>12.2f} {speedup:>8.2f}x " - f"{basis_size:>8d}" - ) +# %% [markdown] +# ## Scaling sweep -if __name__ == "__main__": - main() +# %% +results = [] +for n in range(1, max_cores + 1): + L_op.clear_cache() + times, basis_size = run_pc_steps(L_op, L, site0, dt, n_steps, tau_add, n) + first = times[0] * 1000.0 + steady = median(times[1:]) * 1000.0 + results.append({"threads": n, "first_ms": first, "steady_ms": steady, + "basis": basis_size}) + +baseline = results[0]["steady_ms"] +print(f"{'threads':>8s} {'first-step (ms)':>16s} {'steady (ms)':>12s} " + f"{'speedup':>9s} {'|basis|':>8s}") +for r in results: + speedup = baseline / r["steady_ms"] + print(f"{r['threads']:>8d} {r['first_ms']:>16.1f} {r['steady_ms']:>12.2f} " + f"{speedup:>8.2f}x {r['basis']:>8d}") + + +# %% [markdown] +# ## Plot +# +# Steady-state speedup vs thread count, with the linear-scaling reference. + +# %% +threads = np.array([r["threads"] for r in results]) +steady_ms = np.array([r["steady_ms"] for r in results]) +speedup = steady_ms[0] / steady_ms + +fig, ax = plt.subplots() +ax.plot(threads, speedup, "o-", label="measured") +ax.plot(threads, threads, "k--", alpha=0.4, label="linear") +ax.set_xlabel("threads") +ax.set_ylabel("speedup (vs 1 thread)") +ax.set_title(f"pc_step parallel scaling L={L} model={model} " + f"|basis|={results[-1]['basis']}") +ax.legend() +plt.tight_layout() +plt.show() diff --git a/ppvm-python/demo/stim.py b/ppvm-python/demo/stim_msd.py similarity index 100% rename from ppvm-python/demo/stim.py rename to ppvm-python/demo/stim_msd.py diff --git a/ppvm-python/pyproject.toml b/ppvm-python/pyproject.toml index e76a3e00e..46bdeda92 100644 --- a/ppvm-python/pyproject.toml +++ b/ppvm-python/pyproject.toml @@ -50,6 +50,11 @@ dev = [ "numpy>=2.2.6", "pytest>=9.0.2", ] +# Optional: only the `demo/` scripts use it (`expm_multiply` for the reference +# matrix exponential). Runtime ppvm and the test suite have no scipy dep. +demo = [ + "scipy>=1.13", +] doc = [ "griffe-inherited-docstrings>=1.1.1", "matplotlib>=3.10.8", diff --git a/ppvm-python/src/ppvm/lindblad.py b/ppvm-python/src/ppvm/lindblad.py index 87b58d12d..6ba2dd4a7 100644 --- a/ppvm-python/src/ppvm/lindblad.py +++ b/ppvm-python/src/ppvm/lindblad.py @@ -11,8 +11,10 @@ - ``action(p)`` / ``action_arr(p)``: L*(p) for one Pauli string p - ``leakage(basis, coeffs)`` / ``leakage_arr(...)``: off-basis component of L*(Σ c_j p_j), driving basis expansion -- ``generator(basis)``: scipy CSC matrix M such that L* restricted to - ``basis`` is ``M @ coeffs`` +- ``generator(basis)``: COO triples ``(rows, cols, vals)`` for the generator + matrix M such that L* restricted to ``basis`` is ``M @ coeffs``. Users + wanting a sparse matrix can wrap them — e.g. + ``scipy.sparse.coo_matrix((vals, (rows, cols)), shape=(N, N)).tocsc()`` The ``*_arr`` variants pass Pauli strings as ``(N, n_qubits)`` ``uint8`` arrays of Pauli codes (``0=I, 1=X, 2=Z, 3=Y``) and skip string @@ -34,14 +36,11 @@ from __future__ import annotations from collections.abc import Iterable, Sequence -from typing import TYPE_CHECKING, Union +from typing import Union import numpy as np from ppvm_python_native import LindbladSpec as _LindbladSpec -if TYPE_CHECKING: - import scipy.sparse as sp - _PAULI_CODE = {"I": 0, "X": 1, "Z": 2, "Y": 3} # Lookup table mapping code -> ASCII byte for vectorised string output. _CODE_TO_ASCII = np.array([ord("I"), ord("X"), ord("Z"), ord("Y")], dtype=np.uint8) @@ -52,28 +51,44 @@ JumpSpec = Union[tuple[str, float], tuple[PauliLincomb, float]] -def string_to_codes(s: str, n_qubits: int) -> np.ndarray: - """Encode a Pauli string ``"IXYZ..."`` as a length-``n_qubits`` uint8 array.""" - if len(s) != n_qubits: - raise ValueError(f"Pauli string {s!r} has length {len(s)} != n_qubits {n_qubits}") - return np.array([_PAULI_CODE[c] for c in s], dtype=np.uint8) +def _string_to_codes(s: str, n_qubits: int) -> np.ndarray: + """Encode a Pauli string ``"IXYZ..."`` as a length-``n_qubits`` uint8 array. + + Underscores in the input are ignored, matching the Rust parser + (``parse_pauli_string`` in `ppvm-lindblad`) so users can write + ``"X_Y_Z"`` for readability. + """ + s_clean = s.replace("_", "") + if len(s_clean) != n_qubits: + raise ValueError( + f"Pauli string {s!r} has length {len(s_clean)} (after stripping '_') " + f"!= n_qubits {n_qubits}" + ) + try: + return np.array([_PAULI_CODE[c] for c in s_clean], dtype=np.uint8) + except KeyError as exc: + bad = exc.args[0] + raise ValueError( + f"Pauli string {s!r} contains invalid character {bad!r}; " + f"expected one of 'I', 'X', 'Y', 'Z' (and '_' is allowed as a separator)" + ) from None -def codes_to_string(codes: np.ndarray) -> str: +def _codes_to_string(codes: np.ndarray) -> str: """Decode one length-``n_qubits`` row of Pauli codes back to a string.""" return _CODE_TO_ASCII[codes].tobytes().decode("ascii") -def basis_to_codes(basis: Sequence[str], n_qubits: int) -> np.ndarray: +def _basis_to_codes(basis: Sequence[str], n_qubits: int) -> np.ndarray: """Stack a sequence of Pauli strings into an ``(N, n_qubits)`` uint8 array.""" arr = np.zeros((len(basis), n_qubits), dtype=np.uint8) for i, s in enumerate(basis): - arr[i] = string_to_codes(s, n_qubits) + arr[i] = _string_to_codes(s, n_qubits) return arr -def codes_to_basis(arr: np.ndarray) -> list[str]: - """Inverse of :func:`basis_to_codes`. One call into C per row.""" +def _codes_to_basis(arr: np.ndarray) -> list[str]: + """Inverse of :func:`_basis_to_codes`. One call into C per row.""" bytes_per_row = _CODE_TO_ASCII[arr].tobytes() n = arr.shape[1] return [bytes_per_row[i * n : (i + 1) * n].decode("ascii") for i in range(arr.shape[0])] @@ -267,9 +282,9 @@ def pc_step( ) -> tuple[list[str], np.ndarray]: """String-keyed variant of :meth:`pc_step_arr`.""" n = self.n_qubits - basis_arr = basis_to_codes(basis, n) + basis_arr = _basis_to_codes(basis, n) protected_arr = ( - basis_to_codes(list(protected), n) if protected else np.zeros((0, n), dtype=np.uint8) + _basis_to_codes(list(protected), n) if protected else np.zeros((0, n), dtype=np.uint8) ) new_basis_arr, new_coeffs = self.pc_step_arr( basis_arr, @@ -281,27 +296,30 @@ def pc_step( parallel_threshold, num_threads, ) - return codes_to_basis(new_basis_arr), new_coeffs + return _codes_to_basis(new_basis_arr), new_coeffs - def generator_arr(self, basis_arr: np.ndarray) -> sp.csc_matrix: - """Sparse generator matrix in CSC form, basis given as uint8 codes. + def generator_arr( + self, basis_arr: np.ndarray + ) -> tuple[np.ndarray, np.ndarray, np.ndarray]: + """Generator matrix as COO triples ``(rows, cols, vals)``. - Requires SciPy (imported lazily): only the sparse-matrix convenience - needs it; the ``action``/``leakage`` primitives do not. - """ - import scipy.sparse as sp + Basis given as uint8 codes. To get a SciPy sparse matrix: - n_basis = basis_arr.shape[0] - rows, cols, vals = self._spec.generator(np.ascontiguousarray(basis_arr, dtype=np.uint8)) - return sp.coo_matrix((vals, (rows, cols)), shape=(n_basis, n_basis)).tocsc() + >>> import scipy.sparse as sp + >>> rows, cols, vals = L_op.generator_arr(basis_arr) + >>> M = sp.coo_matrix( + ... (vals, (rows, cols)), shape=(len(basis_arr), len(basis_arr)) + ... ).tocsc() + """ + return self._spec.generator(np.ascontiguousarray(basis_arr, dtype=np.uint8)) # ── String-keyed convenience API (slower; for tests / display) ── def action(self, p: str) -> dict[str, float]: """Apply ``L*`` to a single Pauli string ``p`` (string-keyed dict).""" - codes = string_to_codes(p, self.n_qubits) + codes = _string_to_codes(p, self.n_qubits) out_basis, out_coeffs = self._spec.action(codes) - keys = codes_to_basis(out_basis) + keys = _codes_to_basis(out_basis) return {k: float(v) for k, v in zip(keys, out_coeffs) if v != 0.0} def leakage( @@ -312,20 +330,24 @@ def leakage( ) -> dict[str, float]: """Off-basis leakage as a ``dict[str, float]`` (slower API).""" n = self.n_qubits - basis_arr = basis_to_codes(basis, n) + basis_arr = _basis_to_codes(basis, n) protected_arr = ( - basis_to_codes(list(protected), n) if protected else np.zeros((0, n), dtype=np.uint8) + _basis_to_codes(list(protected), n) if protected else np.zeros((0, n), dtype=np.uint8) ) out_basis, out_coeffs = self._spec.leakage( basis_arr, np.ascontiguousarray(coeffs, dtype=np.float64), protected_arr, ) - keys = codes_to_basis(out_basis) + keys = _codes_to_basis(out_basis) return {k: float(v) for k, v in zip(keys, out_coeffs) if v != 0.0} - def generator(self, basis: Sequence[str]) -> sp.csc_matrix: - """Sparse generator matrix in CSC form, basis given as strings.""" + def generator( + self, basis: Sequence[str] + ) -> tuple[np.ndarray, np.ndarray, np.ndarray]: + """Generator matrix as COO triples ``(rows, cols, vals)``, + basis given as strings. See :meth:`generator_arr` for the conversion + to a SciPy sparse matrix.""" n = self.n_qubits - basis_arr = basis_to_codes(basis, n) + basis_arr = _basis_to_codes(basis, n) return self.generator_arr(basis_arr) diff --git a/ppvm-python/test/lindblad/__init__.py b/ppvm-python/test/lindblad/__init__.py new file mode 100644 index 000000000..e69de29bb diff --git a/ppvm-python/test/lindblad/_helpers.py b/ppvm-python/test/lindblad/_helpers.py new file mode 100644 index 000000000..444e7c856 --- /dev/null +++ b/ppvm-python/test/lindblad/_helpers.py @@ -0,0 +1,346 @@ +# SPDX-FileCopyrightText: 2026 The PPVM Authors +# SPDX-License-Identifier: Apache-2.0 +"""Shared helpers for the Lindbladian shim tests. + +Two reference kernels live here: + +- :func:`_reference_action` builds `L*(p)` for **Hermitian-Pauli** jumps via + the single-qubit Pauli multiplication table (cheap; only depends on `p`'s + weight). +- :func:`_dense_action` builds `L*(p)` for **arbitrary jump operators** by + constructing the full 2^L × 2^L dense Liouvillian. Only viable for L ≤ 3, + but it makes no assumption about the shape of the jumps. + +The bilinear NN-XY + Z-dephasing reference :func:`_bilinear_nn_xy_z_dephasing_obc` +gives an exact closed-form answer that the predictor-corrector tests converge +toward as dt → 0. +""" + +from __future__ import annotations + +import numpy as np + +# --- Pauli multiplication table for the Hermitian-Pauli reference ----------- +I, X, Y, Z = range(4) # noqa: E741 (I is standard Pauli notation here) +MUL = { + (I, I): (1, I), (I, X): (1, X), (I, Y): (1, Y), (I, Z): (1, Z), + (X, I): (1, X), (X, X): (1, I), (X, Y): (1j, Z), (X, Z): (-1j, Y), + (Y, I): (1, Y), (Y, X): (-1j, Z), (Y, Y): (1, I), (Y, Z): (1j, X), + (Z, I): (1, Z), (Z, X): (1j, Y), (Z, Y): (-1j, X), (Z, Z): (1, I), +} +CODE = {I: "I", X: "X", Y: "Y", Z: "Z"} +ICODE = {"I": I, "X": X, "Y": Y, "Z": Z} + + +def _str_to_tuple(s): + return tuple(ICODE[ch] for ch in s) + + +def _tuple_to_str(t): + return "".join(CODE[ch] for ch in t) + + +def _mul_pauli(p, q): + """Return ``(phase, p·q)`` for two Pauli strings given as code tuples.""" + phase = 1 + r = list(p) + for i, (pi, qi) in enumerate(zip(p, q)): + ph, rr = MUL[(pi, qi)] + phase *= ph + r[i] = rr + return phase, tuple(r) + + +def _reference_action(p_str, h_terms, jump_terms): + """``L*(p) = i[H, p] + sum_k gamma_k (L_k p L_k - p)``, term by term.""" + p = _str_to_tuple(p_str) + out: dict = {} + for h_str, coeff_h in h_terms: + h = _str_to_tuple(h_str) + ph_pp, pp = _mul_pauli(h, p) + ph_pq, _ = _mul_pauli(p, h) + # i[H, p] = i (Hp - pH) = i (ph_pp - ph_pq) r ; real for Hermitian H, p. + coeff = (1j * coeff_h * (ph_pp - ph_pq)).real + if coeff: + out[pp] = out.get(pp, 0.0) + coeff + for j_str, gamma in jump_terms: + j = _str_to_tuple(j_str) + ph_pp, _ = _mul_pauli(j, p) + # Hermitian Pauli L, p: Lp has imaginary phase iff they anti-commute, + # and then L p L = -p, contributing -2 gamma p. + if abs(ph_pp.imag) > 0.5: + out[p] = out.get(p, 0.0) + (-2.0 * gamma) + return {kk: v for kk, v in out.items() if v} + + +def _to_str_dict(d): + return {_tuple_to_str(kk): v for kk, v in d.items()} + + +# --- model builders --------------------------------------------------------- + + +def xy_dephasing(L, alpha, gamma): + """Long-range XY model with PBC + Z dephasing.""" + pairs = [ + (a, b, 1.0 / min(b - a, L - b + a) ** alpha) for a in range(L) for b in range(a + 1, L) + ] + kac = sum(j for _, _, j in pairs) / L + pairs = [(a, b, j / kac) for a, b, j in pairs] + h_terms = [] + for a, b, j in pairs: + for q in "XY": + term = ["I"] * L + term[a] = term[b] = q + h_terms.append(("".join(term), j)) + jump_terms = [("I" * i + "Z" + "I" * (L - i - 1), gamma) for i in range(L)] + return h_terms, jump_terms + + +def tfim_xdeph(L, J, h, gamma): + """TFIM (ZZ + transverse X) with X dephasing.""" + h_terms = [] + for i in range(L - 1): + term = ["I"] * L + term[i] = term[i + 1] = "Z" + h_terms.append(("".join(term), J)) + for i in range(L): + term = ["I"] * L + term[i] = "X" + h_terms.append(("".join(term), h)) + jump_terms = [("I" * i + "X" + "I" * (L - i - 1), gamma) for i in range(L)] + return h_terms, jump_terms + + +def nn_xy_z_dephasing_obc(L, J, gamma): + """Nearest-neighbour XY (OBC) + per-site Z dephasing.""" + h_terms = [] + for i in range(L - 1): + a, b = i, i + 1 + xs = ["I"] * L + xs[a] = xs[b] = "X" + ys = ["I"] * L + ys[a] = ys[b] = "Y" + h_terms += [("".join(xs), J), ("".join(ys), J)] + jump_terms = [("I" * j + "Z" + "I" * (L - j - 1), gamma) for j in range(L)] + return h_terms, jump_terms + + +def random_pauli_str(rng, L): + chars = ["I"] * L + positions = rng.choice(L, size=int(rng.integers(1, L + 1)), replace=False) + for q in positions: + chars[q] = rng.choice(["X", "Y", "Z"]) + return "".join(chars) + + +def assert_action_matches(L_op, h_terms, jump_terms, strings): + """Compare `L_op.action(p)` against :func:`_reference_action` for each `p`.""" + for p in strings: + got = L_op.action(p) + want = _to_str_dict(_reference_action(p, h_terms, jump_terms)) + for kk in set(got) | set(want): + assert abs(got.get(kk, 0.0) - want.get(kk, 0.0)) < 1e-12, ( + f"action mismatch at p={p!r} k={kk!r}: " + f"shim={got.get(kk, 0.0)} ref={want.get(kk, 0.0)}" + ) + + +# --- dense Liouvillian reference (for non-Hermitian jumps) ------------------ + +_DENSE_PAULI = { + "I": np.eye(2, dtype=complex), + "X": np.array([[0, 1], [1, 0]], dtype=complex), + "Y": np.array([[0, -1j], [1j, 0]], dtype=complex), + "Z": np.array([[1, 0], [0, -1]], dtype=complex), +} +SIGMA_MINUS_MAT = np.array([[0, 0], [1, 0]], dtype=complex) +SIGMA_PLUS_MAT = np.array([[0, 1], [0, 0]], dtype=complex) + + +def pauli_mat(s): + """Dense matrix for Pauli string ``s`` (leftmost char = leftmost factor).""" + M = np.array([[1.0]], dtype=complex) + for c in s: + M = np.kron(M, _DENSE_PAULI[c]) + return M + + +def all_strings(L): + if L == 0: + return [""] + sub = all_strings(L - 1) + return [c + s for c in "IXYZ" for s in sub] + + +def dense_action(H, jumps, p_str, L): + """`L*(p)` computed densely, returned as a real Pauli-coefficient dict.""" + p_mat = pauli_mat(p_str) + # macOS Accelerate emits spurious divide warnings on exact zeros. + with np.errstate(divide="ignore", invalid="ignore", over="ignore"): + out_mat = 1j * (H @ p_mat - p_mat @ H) + for Lop, gamma in jumps: + Ld = Lop.conj().T + out_mat += gamma * ( + Ld @ p_mat @ Lop - 0.5 * (Ld @ Lop @ p_mat + p_mat @ Ld @ Lop) + ) + d = 2**L + out = {} + for q_str in all_strings(L): + coef = np.trace(pauli_mat(q_str) @ out_mat) / d + assert abs(coef.imag) < 1e-9, f"non-real coefficient for {q_str}: {coef}" + if abs(coef.real) > 1e-12: + out[q_str] = coef.real + return out + + +def embed_op(op_1q, site, L): + """Embed a single-qubit dense operator at ``site`` of an L-qubit register.""" + eye = _DENSE_PAULI["I"] + M = np.array([[1.0]], dtype=complex) + for j in range(L): + M = np.kron(M, op_1q if j == site else eye) + return M + + +# --- closed bilinear evolution for NN-XY + Z-dephasing (OBC) ---------------- + + +def bilinear_nn_xy_z_dephasing_obc(L, J, gamma, times, site0): + """Closed bilinear evolution of `C_j(t)` for the NN XY + Z-dephasing model + with open boundary conditions. + + `F_{mn}(t) = 2^{-L} Tr[B_{mn}(t) Z_i]` evolves as + `∂_t F_{mn} = i·2J·(F_{m+1,n}+F_{m-1,n}-F_{m,n+1}-F_{m,n-1}) - 4γ(1-δ_{mn})F_{mn}` + on the L×L lattice; OBC means edge terms (m=0 or m=L-1, etc.) drop. + Z_j = I - 2 n_j gives C_j = -2 F_{jj}. + """ + dim = L * L + + def idx(m, n): + return m * L + n + + gen = np.zeros((dim, dim), dtype=complex) + for m in range(L): + for n in range(L): + row = idx(m, n) + if m + 1 < L: + gen[row, idx(m + 1, n)] += 1j * 2 * J + if m - 1 >= 0: + gen[row, idx(m - 1, n)] += 1j * 2 * J + if n + 1 < L: + gen[row, idx(m, n + 1)] += -1j * 2 * J + if n - 1 >= 0: + gen[row, idx(m, n - 1)] += -1j * 2 * J + if m != n: + gen[row, row] += -4 * gamma + + evals, evecs = np.linalg.eig(gen) + evecs_inv = np.linalg.inv(evecs) + f0 = np.zeros(dim, dtype=complex) + f0[idx(site0, site0)] = -0.5 + coeffs = evecs_inv @ f0 + + corr = np.empty((len(times), L)) + diag = [idx(j, j) for j in range(L)] + for nt, t in enumerate(times): + ft = evecs @ (np.exp(evals * t) * coeffs) + corr[nt] = np.real(-2 * ft[diag]) + return corr + + +# --- numpy-only matrix exponential reference -------------------------------- + + +def coo_to_dense(triples, n_basis): + """Build a dense ``(n_basis, n_basis)`` array from COO triples.""" + rows, cols, vals = triples + M = np.zeros((n_basis, n_basis), dtype=float) + M[rows, cols] = vals + return M + + +def expm_mv_dense(M, v): + """``exp(M) @ v`` via numpy eigendecomposition. Independent of the Rust + Al-Mohy & Higham implementation; small bases only. + + The Lindbladian is generally diagonalizable, so + ``M = V diag(λ) V^{-1}`` and ``exp(M) v = V (exp(λ) ⊙ (V^{-1} v))``. + """ + evals, evecs = np.linalg.eig(M) + rhs = np.linalg.solve(evecs, v.astype(complex)) + return np.real(evecs @ (np.exp(evals) * rhs)) + + +# --- adaptive PC evolution reference (used by test_adaptive_pc.py) ---------- + + +def _generator_dense(L_op, basis): + """`L_op.generator(basis)` returns COO triples; convert to dense.""" + return coo_to_dense(L_op.generator(basis), len(basis)) + + +def adaptive_z_correlator(L_op, L, site0, dt, n_steps, tau_add): + """Adaptive Heisenberg-picture evolution of Z_{site0} on a growing basis. + + First-hop only: each step adds the strings from `L_op.leakage(...)`, + then matrix-exponentiates the (small, dense) restricted generator via + numpy eigendecomposition. Local truncation is O(dt²) per step. + """ + z_strings = ["I" * j + "Z" + "I" * (L - j - 1) for j in range(L)] + basis = [z_strings[site0]] + coeffs = np.array([1.0]) + protected = [z_strings[site0]] + + corr = np.zeros((n_steps + 1, L)) + corr[0, site0] = 1.0 + + for step in range(n_steps): + leak = L_op.leakage(basis, coeffs, protected=protected) + new = [k for k, v in leak.items() if abs(v) > tau_add] + if new: + basis = basis + new + coeffs = np.concatenate([coeffs, np.zeros(len(new))]) + M = _generator_dense(L_op, basis) + coeffs = expm_mv_dense(dt * M, coeffs) + index = {s: i for i, s in enumerate(basis)} + for j in range(L): + if z_strings[j] in index: + corr[step + 1, j] = coeffs[index[z_strings[j]]] + return corr + + +def adaptive_z_correlator_pc(L_op, L, site0, dt, n_steps, tau_add): + """Same as :func:`adaptive_z_correlator` but with predictor-corrector + basis expansion: predict, then add the second-hop leakage strings before + redoing the step. Lifts the per-step truncation from O(dt²) to O(dt³). + """ + z_strings = ["I" * j + "Z" + "I" * (L - j - 1) for j in range(L)] + basis = [z_strings[site0]] + coeffs = np.array([1.0]) + protected = [z_strings[site0]] + + corr = np.zeros((n_steps + 1, L)) + corr[0, site0] = 1.0 + + for step in range(n_steps): + leak = L_op.leakage(basis, coeffs, protected=protected) + new = [k for k, v in leak.items() if abs(v) > tau_add] + if new: + basis = basis + new + coeffs = np.concatenate([coeffs, np.zeros(len(new))]) + coeffs_pre = coeffs.copy() + M = _generator_dense(L_op, basis) + coeffs_predict = expm_mv_dense(dt * M, coeffs) + leak2 = L_op.leakage(basis, coeffs_predict, protected=protected) + new2 = [k for k, v in leak2.items() if abs(v) > tau_add] + if new2: + basis = basis + new2 + coeffs_pre = np.concatenate([coeffs_pre, np.zeros(len(new2))]) + M = _generator_dense(L_op, basis) + coeffs = expm_mv_dense(dt * M, coeffs_pre) + index = {s: i for i, s in enumerate(basis)} + for j in range(L): + if z_strings[j] in index: + corr[step + 1, j] = coeffs[index[z_strings[j]]] + return corr diff --git a/ppvm-python/test/lindblad/test_action_generator.py b/ppvm-python/test/lindblad/test_action_generator.py new file mode 100644 index 000000000..b888dffb3 --- /dev/null +++ b/ppvm-python/test/lindblad/test_action_generator.py @@ -0,0 +1,108 @@ +# SPDX-FileCopyrightText: 2026 The PPVM Authors +# SPDX-License-Identifier: Apache-2.0 +"""Cross-checks for :meth:`Lindbladian.action` / :meth:`Lindbladian.generator` +/ :meth:`Lindbladian.leakage` against the Hermitian-Pauli reference built from +the single-qubit Pauli multiplication table. +""" + +from __future__ import annotations + +import numpy as np +import pytest + +from ppvm import Lindbladian + +from ._helpers import ( + _reference_action, + _tuple_to_str, + assert_action_matches, + coo_to_dense, + expm_mv_dense, + random_pauli_str, + tfim_xdeph, + xy_dephasing, +) + + +def test_action_xy_dephasing(): + L = 8 + h_terms, jump_terms = xy_dephasing(L, alpha=1.0, gamma=0.3) + L_op = Lindbladian(L, h_terms, jump_terms) + rng = np.random.default_rng(42) + strings = ["I" * L] + strings += ["I" * i + "Z" + "I" * (L - i - 1) for i in range(L)] + strings += [random_pauli_str(rng, L) for _ in range(20)] + assert_action_matches(L_op, h_terms, jump_terms, strings) + + +def test_action_tfim_xdephasing(): + L = 6 + h_terms, jump_terms = tfim_xdeph(L, J=0.7, h=0.4, gamma=0.2) + L_op = Lindbladian(L, h_terms, jump_terms) + rng = np.random.default_rng(7) + strings = [random_pauli_str(rng, L) for _ in range(30)] + assert_action_matches(L_op, h_terms, jump_terms, strings) + + +def test_generator_leakage_and_expm(): + L = 5 + dt = 0.1 + h_terms, jump_terms = xy_dephasing(L, alpha=1.0, gamma=0.4) + L_op = Lindbladian(L, h_terms, jump_terms) + basis = ["I" * i + "Z" + "I" * (L - i - 1) for i in range(L)] + basis += ["YIYII", "IYIYI", "ZZIII"] + coeffs = np.array([0.5, -0.3, 0.2, 0.4, -0.1, 0.6, 0.2, 0.1]) + + M_shim = coo_to_dense(L_op.generator(basis), len(basis)) + M_ref = np.zeros((len(basis), len(basis))) + index = {p: i for i, p in enumerate(basis)} + for col, p in enumerate(basis): + for r_tuple, v in _reference_action(p, h_terms, jump_terms).items(): + r = _tuple_to_str(r_tuple) + if r in index: + M_ref[index[r], col] += v + assert np.max(np.abs(M_shim - M_ref)) < 1e-12 + + shim_leak = L_op.leakage(basis, coeffs) + ref_leak: dict = {} + for p, cf in zip(basis, coeffs): + for r_tuple, v in _reference_action(p, h_terms, jump_terms).items(): + r = _tuple_to_str(r_tuple) + if r not in index: + ref_leak[r] = ref_leak.get(r, 0.0) + v * cf + ref_leak = {kk: v for kk, v in ref_leak.items() if v} + for kk in set(shim_leak) | set(ref_leak): + assert abs(shim_leak.get(kk, 0.0) - ref_leak.get(kk, 0.0)) < 1e-12 + + c_shim = expm_mv_dense(dt * M_shim, coeffs) + c_ref = expm_mv_dense(dt * M_ref, coeffs) + assert np.allclose(c_shim, c_ref, atol=1e-13) + + +def test_generator_rejects_duplicate_basis(): + """Duplicate basis rows would silently overwrite each other in the + row-index map and produce an incorrect sparse generator. The user-facing + entry point must reject them with a clear ValueError instead. + """ + L = 4 + h_terms, jump_terms = xy_dephasing(L, alpha=1.0, gamma=0.3) + L_op = Lindbladian(L, h_terms, jump_terms) + basis = ["ZIII", "IZII", "ZIII"] # duplicate at rows 0 and 2 + with pytest.raises(ValueError, match=r"duplicate Pauli word at row 0 and row 2"): + L_op.generator(basis) + # pc_step also builds the row index and must reject duplicates. + with pytest.raises(ValueError, match=r"duplicate Pauli word"): + L_op.pc_step(basis, np.ones(len(basis)), 0.01, 1e-10) + + +def test_protected_strings_suppressed(): + L = 4 + h_terms, jump_terms = xy_dephasing(L, alpha=1.0, gamma=0.0) + L_op = Lindbladian(L, h_terms, jump_terms) + basis = ["ZIII"] + coeffs = np.array([1.0]) + leak = L_op.leakage(basis, coeffs) + assert leak, "expected some leakage" + protected_key = next(iter(leak)) + leak2 = L_op.leakage(basis, coeffs, protected=[protected_key]) + assert protected_key not in leak2 diff --git a/ppvm-python/test/lindblad/test_adaptive_pc.py b/ppvm-python/test/lindblad/test_adaptive_pc.py new file mode 100644 index 000000000..762c8f57f --- /dev/null +++ b/ppvm-python/test/lindblad/test_adaptive_pc.py @@ -0,0 +1,109 @@ +# SPDX-FileCopyrightText: 2026 The PPVM Authors +# SPDX-License-Identifier: Apache-2.0 +"""End-to-end convergence of the adaptive predictor-corrector evolution +(numpy eigendecomposition reference) against the closed bilinear NN-XY + +Z-dephasing solution. + +For NN interactions the JW bilinears stay closed under the adjoint +Lindbladian, so the spin correlator obeys a tractable L²×L² ODE +(:func:`bilinear_nn_xy_z_dephasing_obc`). OBC keeps this exact; PBC would +introduce a parity-twist that only matches up to 1/L corrections. +""" + +from __future__ import annotations + +from itertools import pairwise + +import numpy as np + +from ppvm import Lindbladian + +from ._helpers import ( + adaptive_z_correlator, + adaptive_z_correlator_pc, + bilinear_nn_xy_z_dephasing_obc, + nn_xy_z_dephasing_obc, +) + + +def test_adaptive_converges_to_nn_xy_z_dephasing_bilinear(): + """Halving dt drives the adaptive shim toward the closed bilinear solution. + + Single-hop has local truncation O(dt²) per step → global error O(T·dt). + """ + L = 4 + J = 1.0 + gamma = 1.0 + site0 = L // 2 + T = 0.05 + tau_add = 1e-12 # tight enough that integrator (T·dt) dominates + + h_terms, jump_terms = nn_xy_z_dephasing_obc(L, J, gamma) + L_op = Lindbladian(L, h_terms, jump_terms) + + errors = [] + final_corr = None + for dt in (0.01, 0.005, 0.0025): + n_steps = round(T / dt) + times = np.arange(n_steps + 1) * dt + exact = bilinear_nn_xy_z_dephasing_obc(L, J, gamma, times, site0) + L_op.clear_cache() + shim = adaptive_z_correlator(L_op, L, site0, dt, n_steps, tau_add) + # Endpoint comparison only — independent of which step counts we use. + errors.append(float(np.max(np.abs(shim[-1] - exact[-1])))) + if dt == 0.0025: + final_corr = (shim[-1], exact[-1]) + + # Halving dt should roughly halve the error; allow 2× slack. + assert errors[1] < 0.8 * errors[0], f"dt-halving did not help: {errors}" + assert errors[2] < 0.8 * errors[1], f"dt-halving did not help: {errors}" + + # Integrator floor at dt = 0.0025 is ~T·dt = 1.25e-4; expect <1e-3. + assert errors[-1] < 1e-3, ( + f"shim vs bilinear at smallest dt: max abs error = {errors[-1]:.3g}; " + f"shim={final_corr[0]}, exact={final_corr[1]}" + ) + + +def test_predictor_corrector_lifts_dt_scaling_to_cubic(): + """The predictor-corrector basis expansion lifts the single-hop scheme's + local O(dt²) truncation to O(dt³). PC error is also strictly smaller at + every dt we test. + """ + L = 4 + J = 1.0 + gamma = 1.0 + site0 = L // 2 + T = 0.05 + tau_add = 1e-12 + + h_terms, jump_terms = nn_xy_z_dephasing_obc(L, J, gamma) + L_op = Lindbladian(L, h_terms, jump_terms) + + err_single = [] + err_pc = [] + for dt in (0.01, 0.005, 0.0025): + n_steps = round(T / dt) + times = np.arange(n_steps + 1) * dt + exact = bilinear_nn_xy_z_dephasing_obc(L, J, gamma, times, site0) + L_op.clear_cache() + single = adaptive_z_correlator(L_op, L, site0, dt, n_steps, tau_add) + L_op.clear_cache() + pc = adaptive_z_correlator_pc(L_op, L, site0, dt, n_steps, tau_add) + err_single.append(float(np.max(np.abs(single[-1] - exact[-1])))) + err_pc.append(float(np.max(np.abs(pc[-1] - exact[-1])))) + + # PC strictly more accurate than single-hop at every dt (by ~100× in this + # regime). Threshold loose enough to absorb expm_multiply tolerance noise. + for s, p, dt in zip(err_single, err_pc, (0.01, 0.005, 0.0025)): + assert p < s / 50, ( + f"PC ({p:.3e}) not meaningfully better than single-hop ({s:.3e}) at dt={dt}" + ) + + # dt-scaling one order steeper: halving dt should drop the error ~8× + # (dt³ vs single-hop's ~4×). Require >5× per halving with safety margin. + for prev, curr in pairwise(err_pc): + assert curr < prev / 5, f"PC dt-halving ratio < 5: errors {err_pc}" + + # Smallest-dt PC error should sit at FP noise of the bilinear reference. + assert err_pc[-1] < 1e-7, f"PC at smallest dt: error = {err_pc[-1]:.3e}" diff --git a/ppvm-python/test/lindblad/test_non_hermitian_jumps.py b/ppvm-python/test/lindblad/test_non_hermitian_jumps.py new file mode 100644 index 000000000..e0170a567 --- /dev/null +++ b/ppvm-python/test/lindblad/test_non_hermitian_jumps.py @@ -0,0 +1,106 @@ +# SPDX-FileCopyrightText: 2026 The PPVM Authors +# SPDX-License-Identifier: Apache-2.0 +"""Non-Hermitian dissipators: cross-check :meth:`Lindbladian.action` / +:meth:`Lindbladian.generator` / :meth:`Lindbladian.leakage` against the dense +2^L × 2^L Liouvillian reference. Only viable for L ≤ 3. +""" + +from __future__ import annotations + +import numpy as np + +from ppvm import Lindbladian, sigma_minus, sigma_plus + +from ._helpers import ( + SIGMA_MINUS_MAT, + SIGMA_PLUS_MAT, + all_strings, + coo_to_dense, + dense_action, + embed_op, + pauli_mat, + random_pauli_str, +) + + +def test_amplitude_damping_action(): + L = 3 + gamma = 0.5 + h_terms = [("XXI", 1.0), ("IXX", 0.7), ("ZIZ", 0.3)] + jump_terms = [(sigma_minus(i, L), gamma) for i in range(L)] + L_op = Lindbladian(L, h_terms, jump_terms) + + H = sum(c * pauli_mat(s) for s, c in h_terms) + jumps_dense = [(embed_op(SIGMA_MINUS_MAT, i, L), gamma) for i in range(L)] + + rng = np.random.default_rng(11) + strings = ["III", "ZII", "IZI", "IIZ", "XYZ", "YYZ"] + strings += [random_pauli_str(rng, L) for _ in range(10)] + + for p in strings: + got = L_op.action(p) + want = dense_action(H, jumps_dense, p, L) + for k in set(got) | set(want): + diff = abs(got.get(k, 0.0) - want.get(k, 0.0)) + assert diff < 1e-10, ( + f"sigma_minus action mismatch at p={p!r} k={k!r}: " + f"shim={got.get(k, 0.0)} ref={want.get(k, 0.0)} diff={diff}" + ) + + +def test_thermal_excitation_damping_action(): + """σ⁺ + σ⁻ jumps together (thermal bath at finite temperature).""" + L = 2 + h_terms = [("XX", 1.0), ("ZI", 0.2), ("IZ", 0.1)] + jump_terms = [(sigma_minus(i, L), 0.4) for i in range(L)] + [ + (sigma_plus(i, L), 0.1) for i in range(L) + ] + L_op = Lindbladian(L, h_terms, jump_terms) + + H = sum(c * pauli_mat(s) for s, c in h_terms) + jumps_dense = [(embed_op(SIGMA_MINUS_MAT, i, L), 0.4) for i in range(L)] + [ + (embed_op(SIGMA_PLUS_MAT, i, L), 0.1) for i in range(L) + ] + + for p in all_strings(L): + got = L_op.action(p) + want = dense_action(H, jumps_dense, p, L) + for k in set(got) | set(want): + diff = abs(got.get(k, 0.0) - want.get(k, 0.0)) + assert diff < 1e-10, ( + f"sigma_plus/sigma_minus action mismatch at p={p!r} k={k!r}: " + f"shim={got.get(k, 0.0)} ref={want.get(k, 0.0)}" + ) + + +def test_amplitude_damping_generator_and_leakage(): + L = 3 + gamma = 0.3 + h_terms = [("XXI", 0.5), ("IXX", 0.5), ("ZII", 0.2), ("IZI", 0.2), ("IIZ", 0.2)] + jump_terms = [(sigma_minus(0, L), gamma), (sigma_minus(2, L), gamma)] + L_op = Lindbladian(L, h_terms, jump_terms) + + basis = ["III", "ZII", "IZI", "IIZ", "ZZI", "IZZ"] + coeffs = np.array([0.1, 0.5, -0.3, 0.4, 0.2, -0.1]) + + H = sum(c * pauli_mat(s) for s, c in h_terms) + jumps_dense = [(embed_op(SIGMA_MINUS_MAT, i, L), gamma) for i in (0, 2)] + + M_shim = coo_to_dense(L_op.generator(basis), len(basis)) + M_ref = np.zeros((len(basis), len(basis))) + idx = {p: i for i, p in enumerate(basis)} + leak_ref: dict = {} + for col, p in enumerate(basis): + action_p = dense_action(H, jumps_dense, p, L) + for q, v in action_p.items(): + if q in idx: + M_ref[idx[q], col] += v + else: + leak_ref[q] = leak_ref.get(q, 0.0) + v * coeffs[col] + assert np.max(np.abs(M_shim - M_ref)) < 1e-10 + + leak_shim = L_op.leakage(basis, coeffs) + leak_ref = {k: v for k, v in leak_ref.items() if abs(v) > 1e-14} + for k in set(leak_shim) | set(leak_ref): + diff = abs(leak_shim.get(k, 0.0) - leak_ref.get(k, 0.0)) + assert diff < 1e-10, f"leakage mismatch at k={k!r}: diff={diff}" diff --git a/ppvm-python/test/lindblad/test_pc_step_rust.py b/ppvm-python/test/lindblad/test_pc_step_rust.py new file mode 100644 index 000000000..24ce4529f --- /dev/null +++ b/ppvm-python/test/lindblad/test_pc_step_rust.py @@ -0,0 +1,121 @@ +# SPDX-FileCopyrightText: 2026 The PPVM Authors +# SPDX-License-Identifier: Apache-2.0 +"""Pure-Rust :meth:`Lindbladian.pc_step` (Al-Mohy & Higham expm + parallel +SpMV): agrees with the numpy-eigendecomp PC reference at FP precision and +shows the same cubic dt-scaling against the bilinear reference. Plus a +sanity check that a length-1 real lincomb routes to the Hermitian fast path. +""" + +from __future__ import annotations + +from itertools import pairwise + +import numpy as np + +from ppvm import Lindbladian + +from ._helpers import ( + adaptive_z_correlator_pc, + bilinear_nn_xy_z_dephasing_obc, + nn_xy_z_dephasing_obc, + random_pauli_str, + xy_dephasing, +) + + +def _adaptive_z_correlator_pc_rust(L_op, L, site0, dt, n_steps, tau_add): + """Same as :func:`_helpers.adaptive_z_correlator_pc` but the per-step PC + work (leakage expansion, predictor expm, second-hop expansion, corrector + expm) all runs in Rust through :meth:`Lindbladian.pc_step`.""" + z_strings = ["I" * j + "Z" + "I" * (L - j - 1) for j in range(L)] + basis = [z_strings[site0]] + coeffs = np.array([1.0]) + protected = [z_strings[site0]] + + corr = np.zeros((n_steps + 1, L)) + corr[0, site0] = 1.0 + + for step in range(n_steps): + basis, coeffs = L_op.pc_step(basis, coeffs, dt, tau_add, protected=protected) + index = {s: i for i, s in enumerate(basis)} + for j in range(L): + if z_strings[j] in index: + corr[step + 1, j] = coeffs[index[z_strings[j]]] + return corr + + +def test_pc_step_rust_matches_python_pc(): + """The pure-Rust PC step agrees with the numpy-eigendecomp PC reference + at FP precision. + + Pins the Rust matrix exponential (Al-Mohy & Higham) against an + independent reference (numpy ``eig``) under the exact same + basis-expansion schedule.""" + L = 4 + J = 1.0 + gamma = 1.0 + site0 = L // 2 + dt = 0.01 + n_steps = 5 + tau_add = 1e-12 + + h_terms, jump_terms = nn_xy_z_dephasing_obc(L, J, gamma) + L_op = Lindbladian(L, h_terms, jump_terms) + + L_op.clear_cache() + rust = _adaptive_z_correlator_pc_rust(L_op, L, site0, dt, n_steps, tau_add) + L_op.clear_cache() + py_ref = adaptive_z_correlator_pc(L_op, L, site0, dt, n_steps, tau_add) + + diff = float(np.max(np.abs(rust - py_ref))) + assert diff < 1e-10, f"Rust PC differs from numpy-eigendecomp PC by {diff:.3e}" + + +def test_pc_step_rust_dt_scaling_is_cubic(): + """End-to-end: the Rust-only PC step matches the bilinear reference with + cubic dt-scaling, confirming the Rust matrix exponential is not the + accuracy bottleneck.""" + L = 4 + J = 1.0 + gamma = 1.0 + site0 = L // 2 + T = 0.05 + tau_add = 1e-12 + + h_terms, jump_terms = nn_xy_z_dephasing_obc(L, J, gamma) + L_op = Lindbladian(L, h_terms, jump_terms) + + err = [] + for dt in (0.01, 0.005, 0.0025): + n_steps = round(T / dt) + times = np.arange(n_steps + 1) * dt + exact = bilinear_nn_xy_z_dephasing_obc(L, J, gamma, times, site0) + L_op.clear_cache() + rust = _adaptive_z_correlator_pc_rust(L_op, L, site0, dt, n_steps, tau_add) + err.append(float(np.max(np.abs(rust[-1] - exact[-1])))) + + # Halving dt should drop the error by ≥5× (cubic gives 8×). + for prev, curr in pairwise(err): + assert curr < prev / 5, f"Rust PC dt-halving ratio < 5: errors {err}" + assert err[-1] < 1e-7, f"Rust PC tight-dt error too large: {err[-1]:.3e}" + + +def test_lincomb_single_term_matches_hermitian_fast_path(): + """A length-1 real lincomb should route to the Hermitian fast path and + produce numerically identical results to passing the string directly.""" + L = 4 + h_terms, jump_simple = xy_dephasing(L, alpha=1.0, gamma=0.3) + L_simple = Lindbladian(L, h_terms, jump_simple) + # Same operator, expressed as a length-1 complex lincomb. + jump_lincomb = [([(s, 1.0 + 0.0j)], g) for s, g in jump_simple] + L_lincomb = Lindbladian(L, h_terms, jump_lincomb) + + rng = np.random.default_rng(99) + for _ in range(5): + p = random_pauli_str(rng, L) + got_a = L_simple.action(p) + got_b = L_lincomb.action(p) + for k in set(got_a) | set(got_b): + assert got_a.get(k, 0.0) == got_b.get(k, 0.0), ( + f"lincomb fast path mismatch at p={p!r}: {got_a} vs {got_b}" + ) diff --git a/ppvm-python/test/test_lindblad.py b/ppvm-python/test/test_lindblad.py deleted file mode 100644 index 5f2c7fe88..000000000 --- a/ppvm-python/test/test_lindblad.py +++ /dev/null @@ -1,723 +0,0 @@ -# SPDX-FileCopyrightText: 2026 The PPVM Authors -# SPDX-License-Identifier: Apache-2.0 -"""Cross-checks for the adjoint Pauli-Lindbladian shim (``ppvm.Lindbladian``). - -Each test compares the Rust shim's ``action`` / ``leakage`` / ``generator`` -against an independent, dense reference built from the single-qubit Pauli -multiplication table, on a few representative Lindbladians (XY + Z dephasing, -TFIM + X dephasing). -""" - -from __future__ import annotations - -import numpy as np -import scipy.sparse.linalg as spla - -from ppvm import Lindbladian, sigma_minus, sigma_plus - -# --- independent reference via the dense Pauli multiplication table --------- -I, X, Y, Z = range(4) # noqa: E741 (I is standard Pauli notation here) -MUL = { - (I, I): (1, I), - (I, X): (1, X), - (I, Y): (1, Y), - (I, Z): (1, Z), - (X, I): (1, X), - (X, X): (1, I), - (X, Y): (1j, Z), - (X, Z): (-1j, Y), - (Y, I): (1, Y), - (Y, X): (-1j, Z), - (Y, Y): (1, I), - (Y, Z): (1j, X), - (Z, I): (1, Z), - (Z, X): (1j, Y), - (Z, Y): (-1j, X), - (Z, Z): (1, I), -} -CODE = {I: "I", X: "X", Y: "Y", Z: "Z"} -ICODE = {"I": I, "X": X, "Y": Y, "Z": Z} - - -def _str_to_tuple(s): - return tuple(ICODE[ch] for ch in s) - - -def _tuple_to_str(t): - return "".join(CODE[ch] for ch in t) - - -def _mul_pauli(p, q): - """Return (phase, p·q) for two Pauli strings given as code tuples.""" - phase = 1 - r = list(p) - for i, (pi, qi) in enumerate(zip(p, q)): - ph, rr = MUL[(pi, qi)] - phase *= ph - r[i] = rr - return phase, tuple(r) - - -def _reference_action(p_str, h_terms, jump_terms): - """L*(p) = i[H, p] + sum_k gamma_k (L_k p L_k - p), term by term.""" - p = _str_to_tuple(p_str) - out: dict = {} - for h_str, coeff_h in h_terms: - h = _str_to_tuple(h_str) - ph_pp, pp = _mul_pauli(h, p) - ph_pq, _ = _mul_pauli(p, h) - # i[H, p] = i (Hp - pH) = i (ph_pp - ph_pq) r ; real for Hermitian H, p. - coeff = (1j * coeff_h * (ph_pp - ph_pq)).real - if coeff: - out[pp] = out.get(pp, 0.0) + coeff - for j_str, gamma in jump_terms: - j = _str_to_tuple(j_str) - ph_pp, _ = _mul_pauli(j, p) - # Hermitian Pauli L, p: Lp has imaginary phase iff they anti-commute, - # and then L p L = -p, contributing -2 gamma p. - if abs(ph_pp.imag) > 0.5: - out[p] = out.get(p, 0.0) + (-2.0 * gamma) - return {kk: v for kk, v in out.items() if v} - - -def _to_str_dict(d): - return {_tuple_to_str(kk): v for kk, v in d.items()} - - -def _xy_dephasing(L, alpha, gamma): - pairs = [ - (a, b, 1.0 / min(b - a, L - b + a) ** alpha) for a in range(L) for b in range(a + 1, L) - ] - kac = sum(j for _, _, j in pairs) / L - pairs = [(a, b, j / kac) for a, b, j in pairs] - h_terms = [] - for a, b, j in pairs: - for q in "XY": - term = ["I"] * L - term[a] = term[b] = q - h_terms.append(("".join(term), j)) - jump_terms = [] - for i in range(L): - term = ["I"] * L - term[i] = "Z" - jump_terms.append(("".join(term), gamma)) - return h_terms, jump_terms - - -def _tfim_xdeph(L, J, h, gamma): - h_terms = [] - for i in range(L - 1): - term = ["I"] * L - term[i] = term[i + 1] = "Z" - h_terms.append(("".join(term), J)) - for i in range(L): - term = ["I"] * L - term[i] = "X" - h_terms.append(("".join(term), h)) - jump_terms = [] - for i in range(L): - term = ["I"] * L - term[i] = "X" - jump_terms.append(("".join(term), gamma)) - return h_terms, jump_terms - - -def _random_pauli_str(rng, L): - chars = ["I"] * L - positions = rng.choice(L, size=int(rng.integers(1, L + 1)), replace=False) - for q in positions: - chars[q] = rng.choice(["X", "Y", "Z"]) - return "".join(chars) - - -def _assert_action_matches(L_op, h_terms, jump_terms, strings): - for p in strings: - got = L_op.action(p) - want = _to_str_dict(_reference_action(p, h_terms, jump_terms)) - for kk in set(got) | set(want): - assert abs(got.get(kk, 0.0) - want.get(kk, 0.0)) < 1e-12, ( - f"action mismatch at p={p!r} k={kk!r}: " - f"shim={got.get(kk, 0.0)} ref={want.get(kk, 0.0)}" - ) - - -def test_action_xy_dephasing(): - L = 8 - h_terms, jump_terms = _xy_dephasing(L, alpha=1.0, gamma=0.3) - L_op = Lindbladian(L, h_terms, jump_terms) - rng = np.random.default_rng(42) - strings = ["I" * L] - strings += ["I" * i + "Z" + "I" * (L - i - 1) for i in range(L)] - strings += [_random_pauli_str(rng, L) for _ in range(20)] - _assert_action_matches(L_op, h_terms, jump_terms, strings) - - -def test_action_tfim_xdephasing(): - L = 6 - h_terms, jump_terms = _tfim_xdeph(L, J=0.7, h=0.4, gamma=0.2) - L_op = Lindbladian(L, h_terms, jump_terms) - rng = np.random.default_rng(7) - strings = [_random_pauli_str(rng, L) for _ in range(30)] - _assert_action_matches(L_op, h_terms, jump_terms, strings) - - -def test_generator_leakage_and_expm(): - L = 5 - dt = 0.1 - h_terms, jump_terms = _xy_dephasing(L, alpha=1.0, gamma=0.4) - L_op = Lindbladian(L, h_terms, jump_terms) - basis = ["I" * i + "Z" + "I" * (L - i - 1) for i in range(L)] - basis += ["YIYII", "IYIYI", "ZZIII"] - coeffs = np.array([0.5, -0.3, 0.2, 0.4, -0.1, 0.6, 0.2, 0.1]) - - M_shim = L_op.generator(basis).toarray() - M_ref = np.zeros((len(basis), len(basis))) - index = {p: i for i, p in enumerate(basis)} - for col, p in enumerate(basis): - for r_tuple, v in _reference_action(p, h_terms, jump_terms).items(): - r = _tuple_to_str(r_tuple) - if r in index: - M_ref[index[r], col] += v - assert np.max(np.abs(M_shim - M_ref)) < 1e-12 - - shim_leak = L_op.leakage(basis, coeffs) - ref_leak: dict = {} - for p, cf in zip(basis, coeffs): - for r_tuple, v in _reference_action(p, h_terms, jump_terms).items(): - r = _tuple_to_str(r_tuple) - if r not in index: - ref_leak[r] = ref_leak.get(r, 0.0) + v * cf - ref_leak = {kk: v for kk, v in ref_leak.items() if v} - for kk in set(shim_leak) | set(ref_leak): - assert abs(shim_leak.get(kk, 0.0) - ref_leak.get(kk, 0.0)) < 1e-12 - - c_shim = spla.expm_multiply(dt * L_op.generator(basis), coeffs) - c_ref = spla.expm_multiply(dt * M_ref, coeffs) - assert np.allclose(c_shim, c_ref, atol=1e-13) - - -def test_protected_strings_suppressed(): - L = 4 - h_terms, jump_terms = _xy_dephasing(L, alpha=1.0, gamma=0.0) - L_op = Lindbladian(L, h_terms, jump_terms) - basis = ["ZIII"] - coeffs = np.array([1.0]) - leak = L_op.leakage(basis, coeffs) - assert leak, "expected some leakage" - protected_key = next(iter(leak)) - leak2 = L_op.leakage(basis, coeffs, protected=[protected_key]) - assert protected_key not in leak2 - - -# --- non-Hermitian dissipators: dense Liouvillian reference ----------------- -# -# The dense reference builds full 2^L × 2^L matrices for H and the jumps and -# evaluates L*(p) = i[H, p] + Σ_k γ_k (L_k† p L_k − ½ {L_k† L_k, p}) directly, -# then expands the result in the Pauli basis. Restricted to L ≤ 3 it costs -# 4^L · 8^L FLOPs (a few ms) but it makes no assumption about the shape of -# L_k, so it doubles as a correctness check for the general dissipator path -# in the Rust shim. - -_DENSE_PAULI = { - "I": np.eye(2, dtype=complex), - "X": np.array([[0, 1], [1, 0]], dtype=complex), - "Y": np.array([[0, -1j], [1j, 0]], dtype=complex), - "Z": np.array([[1, 0], [0, -1]], dtype=complex), -} - - -def _pauli_mat(s): - """Dense matrix for Pauli string ``s`` (leftmost char = leftmost factor).""" - M = np.array([[1.0]], dtype=complex) - for c in s: - M = np.kron(M, _DENSE_PAULI[c]) - return M - - -def _all_strings(L): - if L == 0: - return [""] - sub = _all_strings(L - 1) - return [c + s for c in "IXYZ" for s in sub] - - -def _dense_action(H, jumps, p_str, L): - """L*(p) computed densely, returned as a real Pauli-coefficient dict.""" - p_mat = _pauli_mat(p_str) - # np.errstate quiets spurious "divide by zero" warnings emitted by - # macOS Accelerate when complex @ contains exact zeros. - with np.errstate(divide="ignore", invalid="ignore", over="ignore"): - out_mat = 1j * (H @ p_mat - p_mat @ H) - for Lop, gamma in jumps: - Ld = Lop.conj().T - out_mat += gamma * ( - Ld @ p_mat @ Lop - 0.5 * (Ld @ Lop @ p_mat + p_mat @ Ld @ Lop) - ) - d = 2**L - out = {} - for q_str in _all_strings(L): - coef = np.trace(_pauli_mat(q_str) @ out_mat) / d - assert abs(coef.imag) < 1e-9, f"non-real coefficient for {q_str}: {coef}" - if abs(coef.real) > 1e-12: - out[q_str] = coef.real - return out - - -def _embed_op(op_1q, site, L): - """Embed a single-qubit dense operator at ``site`` of an L-qubit register.""" - eye = _DENSE_PAULI["I"] - M = np.array([[1.0]], dtype=complex) - for j in range(L): - M = np.kron(M, op_1q if j == site else eye) - return M - - -_SIGMA_MINUS = np.array([[0, 0], [1, 0]], dtype=complex) -_SIGMA_PLUS = np.array([[0, 1], [0, 0]], dtype=complex) - - -def test_amplitude_damping_action(): - L = 3 - gamma = 0.5 - h_terms = [("XXI", 1.0), ("IXX", 0.7), ("ZIZ", 0.3)] - jump_terms = [(sigma_minus(i, L), gamma) for i in range(L)] - L_op = Lindbladian(L, h_terms, jump_terms) - - H = sum(c * _pauli_mat(s) for s, c in h_terms) - jumps_dense = [(_embed_op(_SIGMA_MINUS, i, L), gamma) for i in range(L)] - - rng = np.random.default_rng(11) - strings = ["III", "ZII", "IZI", "IIZ", "XYZ", "YYZ"] - strings += [_random_pauli_str(rng, L) for _ in range(10)] - - for p in strings: - got = L_op.action(p) - want = _dense_action(H, jumps_dense, p, L) - for k in set(got) | set(want): - diff = abs(got.get(k, 0.0) - want.get(k, 0.0)) - assert diff < 1e-10, ( - f"sigma_minus action mismatch at p={p!r} k={k!r}: " - f"shim={got.get(k, 0.0)} ref={want.get(k, 0.0)} diff={diff}" - ) - - -def test_thermal_excitation_damping_action(): - """σ⁺ + σ⁻ jumps together (thermal bath at finite temperature).""" - L = 2 - h_terms = [("XX", 1.0), ("ZI", 0.2), ("IZ", 0.1)] - jump_terms = [(sigma_minus(i, L), 0.4) for i in range(L)] + [ - (sigma_plus(i, L), 0.1) for i in range(L) - ] - L_op = Lindbladian(L, h_terms, jump_terms) - - H = sum(c * _pauli_mat(s) for s, c in h_terms) - jumps_dense = [(_embed_op(_SIGMA_MINUS, i, L), 0.4) for i in range(L)] + [ - (_embed_op(_SIGMA_PLUS, i, L), 0.1) for i in range(L) - ] - - for p in _all_strings(L): - got = L_op.action(p) - want = _dense_action(H, jumps_dense, p, L) - for k in set(got) | set(want): - diff = abs(got.get(k, 0.0) - want.get(k, 0.0)) - assert diff < 1e-10, ( - f"sigma_plus/sigma_minus action mismatch at p={p!r} k={k!r}: " - f"shim={got.get(k, 0.0)} ref={want.get(k, 0.0)}" - ) - - -def test_amplitude_damping_generator_and_leakage(): - L = 3 - gamma = 0.3 - h_terms = [("XXI", 0.5), ("IXX", 0.5), ("ZII", 0.2), ("IZI", 0.2), ("IIZ", 0.2)] - jump_terms = [(sigma_minus(0, L), gamma), (sigma_minus(2, L), gamma)] - L_op = Lindbladian(L, h_terms, jump_terms) - - basis = ["III", "ZII", "IZI", "IIZ", "ZZI", "IZZ"] - coeffs = np.array([0.1, 0.5, -0.3, 0.4, 0.2, -0.1]) - - H = sum(c * _pauli_mat(s) for s, c in h_terms) - jumps_dense = [(_embed_op(_SIGMA_MINUS, i, L), gamma) for i in (0, 2)] - - M_shim = L_op.generator(basis).toarray() - M_ref = np.zeros((len(basis), len(basis))) - idx = {p: i for i, p in enumerate(basis)} - leak_ref: dict = {} - for col, p in enumerate(basis): - action_p = _dense_action(H, jumps_dense, p, L) - for q, v in action_p.items(): - if q in idx: - M_ref[idx[q], col] += v - else: - leak_ref[q] = leak_ref.get(q, 0.0) + v * coeffs[col] - assert np.max(np.abs(M_shim - M_ref)) < 1e-10 - - leak_shim = L_op.leakage(basis, coeffs) - leak_ref = {k: v for k, v in leak_ref.items() if abs(v) > 1e-14} - for k in set(leak_shim) | set(leak_ref): - diff = abs(leak_shim.get(k, 0.0) - leak_ref.get(k, 0.0)) - assert diff < 1e-10, f"leakage mismatch at k={k!r}: diff={diff}" - - -# --- convergence to closed bilinear evolution (NN XY + Z dephasing, OBC) ---- -# -# For nearest-neighbour interactions the Jordan-Wigner fermion bilinears -# B_{mn} = c_m† c_n stay closed under the adjoint Lindbladian, so the spin -# correlator C_j(t) = 2^{-L} Tr[Z_j(t) Z_i] obeys a tractable L²×L² ODE. -# We use open boundary conditions: with OBC the JW transformation maps the -# spin XY chain to a bilinear fermion hopping problem exactly, free of the -# parity-twist that makes PBC bilinears match only up to 1/L finite-size -# corrections. - - -def _bilinear_nn_xy_z_dephasing_obc(L, J, gamma, times, site0): - """Closed bilinear evolution of C_j(t) for the NN XY + Z-dephasing model - with open boundary conditions. - - `F_{mn}(t) = 2^{-L} Tr[B_{mn}(t) Z_i]` evolves as - `∂_t F_{mn} = i·2J·(F_{m+1,n}+F_{m-1,n}-F_{m,n+1}-F_{m,n-1}) - 4γ(1-δ_{mn})F_{mn}` - on the L×L lattice; OBC means edge terms (m=0 or m=L-1, etc.) drop. - Z_j = I - 2 n_j gives C_j = -2 F_{jj}. - """ - dim = L * L - - def idx(m, n): - return m * L + n - - gen = np.zeros((dim, dim), dtype=complex) - for m in range(L): - for n in range(L): - row = idx(m, n) - if m + 1 < L: - gen[row, idx(m + 1, n)] += 1j * 2 * J - if m - 1 >= 0: - gen[row, idx(m - 1, n)] += 1j * 2 * J - if n + 1 < L: - gen[row, idx(m, n + 1)] += -1j * 2 * J - if n - 1 >= 0: - gen[row, idx(m, n - 1)] += -1j * 2 * J - if m != n: - gen[row, row] += -4 * gamma - - evals, evecs = np.linalg.eig(gen) - evecs_inv = np.linalg.inv(evecs) - f0 = np.zeros(dim, dtype=complex) - f0[idx(site0, site0)] = -0.5 - coeffs = evecs_inv @ f0 - - corr = np.empty((len(times), L)) - diag = [idx(j, j) for j in range(L)] - for nt, t in enumerate(times): - ft = evecs @ (np.exp(evals * t) * coeffs) - corr[nt] = np.real(-2 * ft[diag]) - return corr - - -def _adaptive_z_correlator(L_op, L, site0, dt, n_steps, tau_add): - """Adaptive Heisenberg-picture evolution of Z_{site0} on a growing Pauli - basis. Returns the matrix `C_j(t_n) = ⟨Z_j, Z_{site0}(t_n)⟩` for every - site `j` and step `n`. Matrix exponential is exact in `dt` within the - basis; the only approximation is dropping leakage strings of magnitude - below `tau_add`.""" - z_strings = ["I" * j + "Z" + "I" * (L - j - 1) for j in range(L)] - basis = [z_strings[site0]] - coeffs = np.array([1.0]) - protected = [z_strings[site0]] - - corr = np.zeros((n_steps + 1, L)) - corr[0, site0] = 1.0 - - for step in range(n_steps): - leak = L_op.leakage(basis, coeffs, protected=protected) - new = [k for k, v in leak.items() if abs(v) > tau_add] - if new: - basis = basis + new - coeffs = np.concatenate([coeffs, np.zeros(len(new))]) - M = L_op.generator(basis) - coeffs = spla.expm_multiply(dt * M, coeffs) - index = {s: i for i, s in enumerate(basis)} - for j in range(L): - if z_strings[j] in index: - corr[step + 1, j] = coeffs[index[z_strings[j]]] - return corr - - -def _adaptive_z_correlator_pc(L_op, L, site0, dt, n_steps, tau_add): - """Same as :func:`_adaptive_z_correlator` but with a predictor-corrector - basis expansion at each step. - - 1. Expand basis with first-hop leakage from the current state and save - the (pre-step) coefficients. - 2. Run a predictor step via expm_multiply. - 3. Compute leakage from the predicted state — these are the second-hop - strings the predictor flowed into but did not have in basis. - 4. Add the second-hop strings, pad the saved pre-step coefficients with - zeros for them, and redo the step on the enlarged basis from the - pre-step state. - - The corrector basis covers the second-hop flow, lifting the local - truncation per step from O(dt²) to O(dt³). - """ - z_strings = ["I" * j + "Z" + "I" * (L - j - 1) for j in range(L)] - basis = [z_strings[site0]] - coeffs = np.array([1.0]) - protected = [z_strings[site0]] - - corr = np.zeros((n_steps + 1, L)) - corr[0, site0] = 1.0 - - for step in range(n_steps): - # Predictor basis: add first-hop leakage from current state. - leak = L_op.leakage(basis, coeffs, protected=protected) - new = [k for k, v in leak.items() if abs(v) > tau_add] - if new: - basis = basis + new - coeffs = np.concatenate([coeffs, np.zeros(len(new))]) - coeffs_pre = coeffs.copy() - # Predict. - M = L_op.generator(basis) - coeffs_predict = spla.expm_multiply(dt * M, coeffs) - # Corrector basis: second-hop strings from the predicted state. - leak2 = L_op.leakage(basis, coeffs_predict, protected=protected) - new2 = [k for k, v in leak2.items() if abs(v) > tau_add] - if new2: - basis = basis + new2 - coeffs_pre = np.concatenate([coeffs_pre, np.zeros(len(new2))]) - # Redo the step on the enlarged basis from the pre-step state. - M = L_op.generator(basis) - coeffs = spla.expm_multiply(dt * M, coeffs_pre) - index = {s: i for i, s in enumerate(basis)} - for j in range(L): - if z_strings[j] in index: - corr[step + 1, j] = coeffs[index[z_strings[j]]] - return corr - - -def test_adaptive_converges_to_nn_xy_z_dephasing_bilinear(): - """Halving dt drives the adaptive shim toward the closed bilinear solution - for the NN XY chain with Z dephasing (OBC). - - The single-hop adaptive scheme has local truncation O(dt²) per step - (first-step leakage only adds first-hop strings; second-hop strings appear - inside the matrix exponential but aren't yet in the basis), so global - error is O(T·dt). The test exercises this dt-scaling on a fixed time - window with a leakage threshold τ tight enough that truncation is well - below the integrator floor. - """ - L = 4 - J = 1.0 - gamma = 1.0 - site0 = L // 2 - T = 0.05 - tau_add = 1e-12 # tight enough that integrator (T·dt) dominates - - h_terms = [] - for i in range(L - 1): # OBC: L-1 bonds, no wraparound - a, b = i, i + 1 - xs = ["I"] * L - xs[a] = xs[b] = "X" - ys = ["I"] * L - ys[a] = ys[b] = "Y" - h_terms += [("".join(xs), J), ("".join(ys), J)] - jump_terms = [("I" * j + "Z" + "I" * (L - j - 1), gamma) for j in range(L)] - L_op = Lindbladian(L, h_terms, jump_terms) - - errors = [] - final_corr = None - for dt in (0.01, 0.005, 0.0025): - n_steps = round(T / dt) - times = np.arange(n_steps + 1) * dt - exact = _bilinear_nn_xy_z_dephasing_obc(L, J, gamma, times, site0) - L_op.clear_cache() - shim = _adaptive_z_correlator(L_op, L, site0, dt, n_steps, tau_add) - # Compare only the endpoint to keep the comparison decoupled from - # exactly which step counts we use. - errors.append(float(np.max(np.abs(shim[-1] - exact[-1])))) - if dt == 0.0025: - final_corr = (shim[-1], exact[-1]) - - # First-order dt-scaling: halving dt should roughly halve the error. - # Allow a factor of 2 slack on the predicted 2× drop. - assert errors[1] < 0.8 * errors[0], f"dt-halving did not help: {errors}" - assert errors[2] < 0.8 * errors[1], f"dt-halving did not help: {errors}" - - # At dt = 0.0025 the integrator floor is ~T·dt = 1.25e-4. The shim - # should sit comfortably under 1e-3 against the bilinear reference. - assert errors[-1] < 1e-3, ( - f"shim vs bilinear at smallest dt: max abs error = {errors[-1]:.3g}; " - f"shim={final_corr[0]}, exact={final_corr[1]}" - ) - - -def test_predictor_corrector_lifts_dt_scaling_to_cubic(): - """The predictor-corrector basis expansion lifts the single-hop scheme's - local O(dt²) truncation to O(dt³), so the PC error at fixed T scales as - dt² (one order steeper than the dt-scaling of single-hop). The PC error - is also strictly smaller at every dt we test. - """ - L = 4 - J = 1.0 - gamma = 1.0 - site0 = L // 2 - T = 0.05 - tau_add = 1e-12 - - h_terms = [] - for i in range(L - 1): - a, b = i, i + 1 - xs = ["I"] * L - xs[a] = xs[b] = "X" - ys = ["I"] * L - ys[a] = ys[b] = "Y" - h_terms += [("".join(xs), J), ("".join(ys), J)] - jump_terms = [("I" * j + "Z" + "I" * (L - j - 1), gamma) for j in range(L)] - L_op = Lindbladian(L, h_terms, jump_terms) - - err_single = [] - err_pc = [] - for dt in (0.01, 0.005, 0.0025): - n_steps = round(T / dt) - times = np.arange(n_steps + 1) * dt - exact = _bilinear_nn_xy_z_dephasing_obc(L, J, gamma, times, site0) - L_op.clear_cache() - single = _adaptive_z_correlator(L_op, L, site0, dt, n_steps, tau_add) - L_op.clear_cache() - pc = _adaptive_z_correlator_pc(L_op, L, site0, dt, n_steps, tau_add) - err_single.append(float(np.max(np.abs(single[-1] - exact[-1])))) - err_pc.append(float(np.max(np.abs(pc[-1] - exact[-1])))) - - # PC is strictly more accurate than single-hop at every dt — by ~100× - # in the test regime. Leave the threshold loose enough that small - # changes in expm_multiply tolerance don't flake. - for s, p, dt in zip(err_single, err_pc, (0.01, 0.005, 0.0025)): - assert p < s / 50, ( - f"PC ({p:.3e}) not meaningfully better than single-hop ({s:.3e}) at dt={dt}" - ) - - # PC's dt-scaling is one order steeper. Halving dt should drop the error - # by ~8× (dt³ vs single-hop's ~4× = dt²). Require >5× per halving with - # some safety margin. - from itertools import pairwise - - for prev, curr in pairwise(err_pc): - assert curr < prev / 5, f"PC dt-halving ratio < 5: errors {err_pc}" - - # And the smallest-dt PC error itself should sit at FP noise of the - # bilinear reference. - assert err_pc[-1] < 1e-7, f"PC at smallest dt: error = {err_pc[-1]:.3e}" - - -def _adaptive_z_correlator_pc_rust(L_op, L, site0, dt, n_steps, tau_add): - """Same as :func:`_adaptive_z_correlator_pc` but the per-step PC work - (leakage expansion, predictor expm, second-hop expansion, corrector - expm) all runs in Rust through :meth:`Lindbladian.pc_step`.""" - z_strings = ["I" * j + "Z" + "I" * (L - j - 1) for j in range(L)] - basis = [z_strings[site0]] - coeffs = np.array([1.0]) - protected = [z_strings[site0]] - - corr = np.zeros((n_steps + 1, L)) - corr[0, site0] = 1.0 - - for step in range(n_steps): - basis, coeffs = L_op.pc_step(basis, coeffs, dt, tau_add, protected=protected) - index = {s: i for i, s in enumerate(basis)} - for j in range(L): - if z_strings[j] in index: - corr[step + 1, j] = coeffs[index[z_strings[j]]] - return corr - - -def test_pc_step_rust_matches_scipy_pc(): - """The pure-Rust PC step (Al-Mohy & Higham expm + parallel SpMV) agrees - with the scipy-based PC implementation at FP precision. This pins the - Rust matrix exponential against the well-tested scipy reference under - the exact same basis-expansion schedule.""" - L = 4 - J = 1.0 - gamma = 1.0 - site0 = L // 2 - dt = 0.01 - n_steps = 5 - tau_add = 1e-12 - - h_terms = [] - for i in range(L - 1): - a, b = i, i + 1 - xs = ["I"] * L - xs[a] = xs[b] = "X" - ys = ["I"] * L - ys[a] = ys[b] = "Y" - h_terms += [("".join(xs), J), ("".join(ys), J)] - jump_terms = [("I" * j + "Z" + "I" * (L - j - 1), gamma) for j in range(L)] - L_op = Lindbladian(L, h_terms, jump_terms) - - L_op.clear_cache() - rust = _adaptive_z_correlator_pc_rust(L_op, L, site0, dt, n_steps, tau_add) - L_op.clear_cache() - scipy_pc = _adaptive_z_correlator_pc(L_op, L, site0, dt, n_steps, tau_add) - - # Both schemes share the same algorithm and tolerances; agreement should - # be near FP precision of the matrix-exponential approximation. - diff = float(np.max(np.abs(rust - scipy_pc))) - assert diff < 1e-10, f"Rust PC differs from scipy PC by {diff:.3e}" - - -def test_pc_step_rust_dt_scaling_is_cubic(): - """End-to-end: the Rust-only PC step matches the bilinear reference with - the same dt³ scaling as the scipy version, confirming that the Rust - matrix exponential is not the bottleneck of accuracy.""" - L = 4 - J = 1.0 - gamma = 1.0 - site0 = L // 2 - T = 0.05 - tau_add = 1e-12 - - h_terms = [] - for i in range(L - 1): - a, b = i, i + 1 - xs = ["I"] * L - xs[a] = xs[b] = "X" - ys = ["I"] * L - ys[a] = ys[b] = "Y" - h_terms += [("".join(xs), J), ("".join(ys), J)] - jump_terms = [("I" * j + "Z" + "I" * (L - j - 1), gamma) for j in range(L)] - L_op = Lindbladian(L, h_terms, jump_terms) - - err = [] - for dt in (0.01, 0.005, 0.0025): - n_steps = round(T / dt) - times = np.arange(n_steps + 1) * dt - exact = _bilinear_nn_xy_z_dephasing_obc(L, J, gamma, times, site0) - L_op.clear_cache() - rust = _adaptive_z_correlator_pc_rust(L_op, L, site0, dt, n_steps, tau_add) - err.append(float(np.max(np.abs(rust[-1] - exact[-1])))) - - # Halving dt should drop the error by ≥5× (cubic gives 8×). - from itertools import pairwise - - for prev, curr in pairwise(err): - assert curr < prev / 5, f"Rust PC dt-halving ratio < 5: errors {err}" - assert err[-1] < 1e-7, f"Rust PC tight-dt error too large: {err[-1]:.3e}" - - -def test_lincomb_single_term_matches_hermitian_fast_path(): - """A length-1 real lincomb should be routed to the Hermitian fast path - and produce numerically identical results to passing the string directly.""" - L = 4 - h_terms, jump_simple = _xy_dephasing(L, alpha=1.0, gamma=0.3) - L_simple = Lindbladian(L, h_terms, jump_simple) - # Same operator, expressed as a length-1 complex lincomb. - jump_lincomb = [([(s, 1.0 + 0.0j)], g) for s, g in jump_simple] - L_lincomb = Lindbladian(L, h_terms, jump_lincomb) - - rng = np.random.default_rng(99) - for _ in range(5): - p = _random_pauli_str(rng, L) - got_a = L_simple.action(p) - got_b = L_lincomb.action(p) - for k in set(got_a) | set(got_b): - assert got_a.get(k, 0.0) == got_b.get(k, 0.0), ( - f"lincomb fast path mismatch at p={p!r}: {got_a} vs {got_b}" - ) diff --git a/ppvm-python/uv.lock b/ppvm-python/uv.lock index 4e16c4ba4..62ec8a040 100644 --- a/ppvm-python/uv.lock +++ b/ppvm-python/uv.lock @@ -18,7 +18,7 @@ resolution-markers = [ [[package]] name = "aiobotocore" version = "3.7.0" -source = { registry = "https://pypi.org/simple" } +source = { registry = "https://quera.jfrog.io/artifactory/api/pypi/quera-pypi-algo/simple" } dependencies = [ { name = "aiohttp" }, { name = "aioitertools" }, @@ -29,24 +29,24 @@ dependencies = [ { name = "typing-extensions", marker = "python_full_version < '3.11'" }, { name = "wrapt" }, ] -sdist = { url = "https://files.pythonhosted.org/packages/e7/75/42cce839c2ec263ff74b10b650fe36b066fbb124cbee6f247eac0983e1ab/aiobotocore-3.7.0.tar.gz", hash = "sha256:c64d871ed5491a6571948dd48eabd185b46c6c23b64e3afd0c059fc7593ada30", size = 127054, upload-time = "2026-05-09T10:02:52.332Z" } +sdist = { url = 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} wheels = [ - { url = "https://files.pythonhosted.org/packages/08/8a/0861bec20485572fbddf3dfba2910e38fe249796cb73ecdeb74e07eeb8d3/zipp-3.23.1-py3-none-any.whl", hash = "sha256:0b3596c50a5c700c9cb40ba8d86d9f2cc4807e9bedb06bcdf7fac85633e444dc", size = 10378, upload-time = "2026-04-13T23:21:45.386Z" }, + { url = "https://quera.jfrog.io/artifactory/api/pypi/quera-pypi-algo/packages/packages/08/8a/0861bec20485572fbddf3dfba2910e38fe249796cb73ecdeb74e07eeb8d3/zipp-3.23.1-py3-none-any.whl", hash = "sha256:0b3596c50a5c700c9cb40ba8d86d9f2cc4807e9bedb06bcdf7fac85633e444dc" }, ] From 9fd6ef5dda442e86018d1a235fa1d5d37f3b03ec Mon Sep 17 00:00:00 2001 From: alexschuckert Date: Wed, 3 Jun 2026 09:55:38 +0100 Subject: [PATCH 07/23] review(ppvm-lindblad): swap custom CsrMatrix for sprs::CsMatI MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit Roger asked on PR #98 whether the hand-rolled CSR could be replaced with an existing Rust crate. It can: this commit drops the custom CsrMatrix struct + impl block (~90 LOC) and uses `sprs::CsMatI` for storage, keeping our free-function helpers for the small bits sprs doesn't provide (parallel SpMV with nnz-threshold gating, 1-norm). Type choice: `CsMatI` keeps `u32` column indices to match the previous memory layout (4 bytes per nonzero index). The default `sprs::CsMat` uses `usize` indices (8 bytes), which causes a 17–32% regression at bandwidth-bound matrix sizes (8M+ nonzeros) from the doubled index traffic per SpMV. The wider `usize` indptr stays — it's small (n+1 entries) and accommodates nnz > 2^32. Bench (`benches/spmv_scaling.rs`) on M4, 4 sizes × 4 thread counts — all deltas within ±5% of the previous custom code; 4-thread speedups of ~2.7× preserved across L2-resident, L3-boundary, and DRAM-bandwidth regimes. 100 k × 4 threads: 87.6 µs → 87.0 µs (-1%) 500 k × 4 threads: 415 µs → 418 µs (+1%) 8 M × 4 threads: 7.09 ms → 6.73 ms (-5%) The expm_multiply algorithm itself stays ours — no Rust crate implements Al-Mohy & Higham matrix-free `expm_multiply`. That part of Roger's question was already addressed in the PR-review reply. Net: ~25 LOC removed, one new dep (`sprs` with default-features = false + "multi_thread"), storage type now comes from the standard ecosystem. Co-Authored-By: Claude Opus 4.7 --- Cargo.lock | 31 +++ crates/ppvm-lindblad/Cargo.toml | 1 + crates/ppvm-lindblad/benches/spmv_scaling.rs | 69 +++--- crates/ppvm-lindblad/src/expm.rs | 211 +++++++++---------- crates/ppvm-lindblad/src/lib.rs | 34 ++- 5 files changed, 190 insertions(+), 156 deletions(-) diff --git a/Cargo.lock b/Cargo.lock index 1291e4806..71a69b18b 100644 --- a/Cargo.lock +++ b/Cargo.lock @@ -547,6 +547,12 @@ version = "0.5.0" source = "registry+https://github.com/rust-lang/crates.io-index" checksum = "2304e00983f87ffb38b55b444b5e3b60a884b5d30c0fca7d82fe33449bbe55ea" +[[package]] +name = "hermit-abi" +version = "0.5.2" +source = "registry+https://github.com/rust-lang/crates.io-index" +checksum = "fc0fef456e4baa96da950455cd02c081ca953b141298e41db3fc7e36b1da849c" + [[package]] name = "id-arena" version = "2.3.0" @@ -782,6 +788,16 @@ dependencies = [ "autocfg", ] +[[package]] +name = "num_cpus" +version = "1.17.0" +source = "registry+https://github.com/rust-lang/crates.io-index" +checksum = "91df4bbde75afed763b708b7eee1e8e7651e02d97f6d5dd763e89367e957b23b" +dependencies = [ + "hermit-abi", + "libc", +] + [[package]] name = "numpy" version = "0.27.1" @@ -912,6 +928,7 @@ dependencies = [ "num", "ppvm-runtime", "rayon", + "sprs", ] [[package]] @@ -1402,6 +1419,20 @@ version = "1.15.1" source = "registry+https://github.com/rust-lang/crates.io-index" checksum = "67b1b7a3b5fe4f1376887184045fcf45c69e92af734b7aaddc05fb777b6fbd03" +[[package]] +name = "sprs" +version = "0.11.4" +source = "registry+https://github.com/rust-lang/crates.io-index" +checksum = "6dca58a33be2188d4edc71534f8bafa826e787cc28ca1c47f31be3423f0d6e55" +dependencies = [ + "ndarray", + "num-complex", + "num-traits", + "num_cpus", + "rayon", + "smallvec", +] + [[package]] name = "stacker" version = "0.1.24" diff --git a/crates/ppvm-lindblad/Cargo.toml b/crates/ppvm-lindblad/Cargo.toml index c1ee3e930..cd4a822e9 100644 --- a/crates/ppvm-lindblad/Cargo.toml +++ b/crates/ppvm-lindblad/Cargo.toml @@ -10,6 +10,7 @@ fxhash = "0.2.1" num = "0.4.3" ppvm-runtime = { version = "0.1.0", path = "../ppvm-runtime" } rayon = "1.11" +sprs = { version = "0.11", default-features = false, features = ["multi_thread"] } [dev-dependencies] approx = "0.5.1" diff --git a/crates/ppvm-lindblad/benches/spmv_scaling.rs b/crates/ppvm-lindblad/benches/spmv_scaling.rs index 0ddd202d7..f7fdc8381 100644 --- a/crates/ppvm-lindblad/benches/spmv_scaling.rs +++ b/crates/ppvm-lindblad/benches/spmv_scaling.rs @@ -1,14 +1,16 @@ // SPDX-FileCopyrightText: 2026 The PPVM Authors // SPDX-License-Identifier: Apache-2.0 -//! Parallel SpMV scaling on a tridiagonal CSR matrix. One bench per thread -//! count, with each invocation running inside a freshly-built rayon pool of -//! that size to isolate the SpMV path from outer-loop work. +//! Parallel SpMV scaling on a tridiagonal CSR matrix. Sweeps both matrix +//! size and thread count, so we can see where parallelism actually pays +//! off (compute-bound, L3-fitting) vs where DRAM bandwidth ceilings out +//! the speedup (large matrices). Each invocation runs inside a freshly +//! built rayon pool of the requested size. use criterion::{BenchmarkId, Criterion, Throughput, criterion_group, criterion_main}; -use ppvm_lindblad::CsrMatrix; +use ppvm_lindblad::{Csr, csr_from_triplets, spmv_parallel}; -fn build_tridiagonal(n: usize) -> CsrMatrix { +fn build_tridiagonal(n: usize) -> Csr { let mut trips = Vec::with_capacity(3 * n); for i in 0..n { trips.push((i, i, -2.0)); @@ -19,32 +21,45 @@ fn build_tridiagonal(n: usize) -> CsrMatrix { trips.push((i, i + 1, 1.0)); } } - CsrMatrix::from_triplets(n, &trips) + csr_from_triplets(n, &trips) } fn bench_spmv_scaling(c: &mut Criterion) { - let n: usize = 100_000; - let m = build_tridiagonal(n); - let x: Vec = (0..n).map(|i| (i as f64).sin()).collect(); - - let mut group = c.benchmark_group("spmv_parallel"); - group.throughput(Throughput::Elements(m.nnz() as u64)); - - for &threads in &[1usize, 2, 3, 4, 6, 8, 10] { - let pool = rayon::ThreadPoolBuilder::new() - .num_threads(threads) - .build() - .unwrap(); - group.bench_with_input(BenchmarkId::from_parameter(threads), &threads, |b, _| { - b.iter_batched_ref( - || vec![0f64; n], - |y| pool.install(|| m.spmv_parallel(&x, y)), - criterion::BatchSize::SmallInput, - ); - }); - } + // (n, label) pairs: nnz ≈ 3n. ~16 bytes per nonzero (usize indices + f64) + // + 8 bytes per row. + // + // n = 100_000 → nnz ≈ 300_000 → ~5 MB (fits L2/L3, compute-bound) + // n = 500_000 → nnz ≈ 1_500_000 → ~24 MB (L3 boundary on M-series) + // n = 2_000_000 → nnz ≈ 6_000_000 → ~96 MB (busts L3, bandwidth-bound) + // n = 8_000_000 → nnz ≈ 24_000_000 → ~384 MB (well into DRAM) + let sizes = [100_000usize, 500_000, 2_000_000, 8_000_000]; + + for &n in &sizes { + let m = build_tridiagonal(n); + let x: Vec = (0..n).map(|i| (i as f64).sin()).collect(); + + let mut group = c.benchmark_group(format!("spmv_parallel/n={}", n)); + group.throughput(Throughput::Elements(m.nnz() as u64)); + group.sample_size(30); + group.measurement_time(std::time::Duration::from_secs(3)); + group.warm_up_time(std::time::Duration::from_secs(1)); - group.finish(); + for &threads in &[1usize, 2, 4, 8] { + let pool = rayon::ThreadPoolBuilder::new() + .num_threads(threads) + .build() + .unwrap(); + group.bench_with_input(BenchmarkId::from_parameter(threads), &threads, |b, _| { + b.iter_batched_ref( + || vec![0f64; n], + |y| pool.install(|| spmv_parallel(&m, &x, y)), + criterion::BatchSize::SmallInput, + ); + }); + } + + group.finish(); + } } criterion_group!(benches, bench_spmv_scaling); diff --git a/crates/ppvm-lindblad/src/expm.rs b/crates/ppvm-lindblad/src/expm.rs index d84edb262..0138fd4e9 100644 --- a/crates/ppvm-lindblad/src/expm.rs +++ b/crates/ppvm-lindblad/src/expm.rs @@ -8,14 +8,21 @@ //! with `(m, s)` chosen from a precomputed table that minimises total SpMV //! count subject to a double-precision truncation bound. //! -//! The hot path is repeated sparse-matrix × dense-vector products. SpMV is -//! parallelised over rows with `rayon` when the matrix has more than -//! [`ExpmOpts::parallel_threshold`] nonzeros; below that, the task-spawn -//! overhead beats the cache-friendliness of the serial loop, so we stay -//! single-threaded. Both branches share the same CSR storage and produce -//! bit-identical output. +//! Storage is `Csr`. The hot path is repeated sparse-matrix × +//! dense-vector products; SpMV is parallelised over rows with `rayon` when +//! the matrix has more than [`ExpmOpts::parallel_threshold`] nonzeros (below +//! that the task-spawn overhead beats the cache-friendly serial loop). +//! Both branches produce bit-identical output. use rayon::prelude::*; +use sprs::CsMatI; + +/// Sparse CSR matrix with `u32` column indices and `usize` indptr. +/// +/// `u32` keeps memory traffic in SpMV minimal (4 bytes per nonzero for the +/// column index instead of 8) — important for bandwidth-bound regimes. +/// `usize` indptr accommodates `nnz > 2^32` even when individual indices fit. +pub type Csr = CsMatI; /// `θ_m` table from Al-Mohy & Higham (2011), Table A.3, for double /// precision (unit roundoff `u = 2^{-53}`). @@ -56,101 +63,89 @@ const THETA: &[(u32, f64)] = &[ (30, 3.54), ]; -/// Compressed Sparse Row matrix (square, `n × n`). -#[derive(Clone, Debug)] -pub struct CsrMatrix { - pub n: usize, - /// Length `n+1`; row `i` spans `[row_ptr[i], row_ptr[i+1])` in - /// `col_idx` and `values`. - pub row_ptr: Vec, - pub col_idx: Vec, - pub values: Vec, +/// Build a `Csr` (square, `n × n`) from `(row, col, value)` +/// triplets. Duplicate triplets at the same `(row, col)` are summed. +pub fn csr_from_triplets(n: usize, triplets: &[(usize, usize, f64)]) -> Csr { + let mut counts = vec![0usize; n]; + for &(r, _, _) in triplets { + debug_assert!(r < n, "row index {r} out of range"); + counts[r] += 1; + } + let mut indptr = vec![0usize; n + 1]; + for i in 0..n { + indptr[i + 1] = indptr[i] + counts[i]; + } + let nnz = indptr[n]; + let mut indices = vec![0u32; nnz]; + let mut data = vec![0f64; nnz]; + let mut offset = vec![0usize; n]; + for &(r, c, v) in triplets { + debug_assert!(c < n, "col index {c} out of range"); + let pos = indptr[r] + offset[r]; + indices[pos] = c as u32; + data[pos] = v; + offset[r] += 1; + } + Csr::new_from_unsorted((n, n), indptr, indices, data) + .map_err(|(_, _, _, e)| e) + .expect("invalid CSR structure") } -impl CsrMatrix { - /// Number of structural nonzeros. - pub fn nnz(&self) -> usize { - self.values.len() +/// Matrix 1-norm: `max_j Σ_i |A_{ij}|` (max column sum of absolute values). +/// Used to pick the Taylor parameters `(m, s)`. +pub fn csr_one_norm(m: &Csr) -> f64 { + if m.cols() == 0 { + return 0.0; } - - /// Build CSR from a list of `(row, col, value)` triplets. Duplicate - /// triplets at the same `(row, col)` are summed. - pub fn from_triplets(n: usize, triplets: &[(usize, usize, f64)]) -> Self { - let mut counts = vec![0usize; n]; - for &(r, _, _) in triplets { - debug_assert!(r < n, "row index {r} out of range"); - counts[r] += 1; - } - let mut row_ptr = vec![0usize; n + 1]; - for i in 0..n { - row_ptr[i + 1] = row_ptr[i] + counts[i]; - } - let mut col_idx = vec![0u32; triplets.len()]; - let mut values = vec![0f64; triplets.len()]; - let mut offset = vec![0usize; n]; - for &(r, c, v) in triplets { - debug_assert!(c < n, "col index {c} out of range"); - let pos = row_ptr[r] + offset[r]; - col_idx[pos] = c as u32; - values[pos] = v; - offset[r] += 1; - } - Self { - n, - row_ptr, - col_idx, - values, - } + let mut col_sums = vec![0f64; m.cols()]; + for (k, &col) in m.indices().iter().enumerate() { + col_sums[col as usize] += m.data()[k].abs(); } + col_sums.into_iter().fold(0f64, f64::max) +} - /// Matrix 1-norm: `max_j Σ_i |A_{ij}|` (max column sum of absolute - /// values). Used to pick the Taylor parameters `(m, s)`. - pub fn one_norm(&self) -> f64 { - if self.n == 0 { - return 0.0; - } - let mut col_sums = vec![0f64; self.n]; - for k in 0..self.values.len() { - col_sums[self.col_idx[k] as usize] += self.values[k].abs(); +/// `y ← A · x` (serial). +pub fn spmv_serial(m: &Csr, x: &[f64], y: &mut [f64]) { + debug_assert_eq!(x.len(), m.cols()); + debug_assert_eq!(y.len(), m.rows()); + let indptr_raw = m.indptr(); + let indptr = indptr_raw.raw_storage(); + let indices = m.indices(); + let data = m.data(); + for (i, yi) in y.iter_mut().enumerate() { + let mut sum = 0.0; + for k in indptr[i]..indptr[i + 1] { + sum += data[k] * x[indices[k] as usize]; } - col_sums.into_iter().fold(0f64, f64::max) + *yi = sum; } +} - /// `y ← A · x` (serial). - pub fn spmv_serial(&self, x: &[f64], y: &mut [f64]) { - debug_assert_eq!(x.len(), self.n); - debug_assert_eq!(y.len(), self.n); - for (i, yi) in y.iter_mut().enumerate() { - let mut sum = 0.0; - for k in self.row_ptr[i]..self.row_ptr[i + 1] { - sum += self.values[k] * x[self.col_idx[k] as usize]; - } - *yi = sum; +/// `y ← A · x` (rayon-parallel over rows). +pub fn spmv_parallel(m: &Csr, x: &[f64], y: &mut [f64]) { + debug_assert_eq!(x.len(), m.cols()); + debug_assert_eq!(y.len(), m.rows()); + let indptr_raw = m.indptr(); + let indptr = indptr_raw.raw_storage(); + let indices = m.indices(); + let data = m.data(); + y.par_iter_mut().enumerate().for_each(|(i, yi)| { + let mut sum = 0.0; + for k in indptr[i]..indptr[i + 1] { + sum += data[k] * x[indices[k] as usize]; } - } - - /// `y ← A · x` (rayon-parallel over rows). - pub fn spmv_parallel(&self, x: &[f64], y: &mut [f64]) { - debug_assert_eq!(x.len(), self.n); - debug_assert_eq!(y.len(), self.n); - y.par_iter_mut().enumerate().for_each(|(i, yi)| { - let mut sum = 0.0; - for k in self.row_ptr[i]..self.row_ptr[i + 1] { - sum += self.values[k] * x[self.col_idx[k] as usize]; - } - *yi = sum; - }); - } + *yi = sum; + }); +} - /// Dispatches to [`Self::spmv_parallel`] when `nnz ≥ parallel_threshold`, - /// else [`Self::spmv_serial`]. - #[inline] - pub fn spmv(&self, x: &[f64], y: &mut [f64], parallel_threshold: usize) { - if self.nnz() >= parallel_threshold { - self.spmv_parallel(x, y); - } else { - self.spmv_serial(x, y); - } +/// Dispatches to [`spmv_parallel`] when `nnz ≥ parallel_threshold`, +/// else [`spmv_serial`]. +#[inline] +pub fn spmv(m: &Csr, x: &[f64], y: &mut [f64], parallel_threshold: usize) { + if m.nnz() >= parallel_threshold { + spmv_parallel(m, x, y); + } else { + spmv_serial(m, x, y); } } @@ -202,28 +197,28 @@ fn inf_norm(v: &[f64]) -> f64 { v.iter().fold(0f64, |acc, &x| acc.max(x.abs())) } -/// Compute `exp(t · A) · b` for a real square sparse matrix `A` in CSR -/// form. Allocates a fresh `Vec` of length `A.n`. +/// Compute `exp(t · A) · b` for a real square sparse matrix `A`. Allocates +/// a fresh `Vec` of length `A.rows()`. /// /// The algorithm is Al-Mohy & Higham (2011) Algorithm 3.2: pick /// `(m, s)` from the precomputed `θ_m` table to minimise SpMV count, /// then iteratively apply a degree-`m` Horner-form Taylor polynomial /// `s` times. Inside each Horner sweep we terminate early once two /// successive Taylor terms have norm below `opts.tol · ‖F‖`. -pub fn expm_multiply(a: &CsrMatrix, t: f64, b: &[f64], opts: ExpmOpts) -> Vec { +pub fn expm_multiply(a: &Csr, t: f64, b: &[f64], opts: ExpmOpts) -> Vec { assert_eq!( - a.n, + a.rows(), b.len(), "matrix size {} mismatches vector length {}", - a.n, + a.rows(), b.len() ); - let n = a.n; + let n = a.rows(); if n == 0 { return Vec::new(); } - let t_a_one_norm = t.abs() * a.one_norm(); + let t_a_one_norm = t.abs() * csr_one_norm(a); let (m_star, s) = select_ms(t_a_one_norm); let scale = t / s as f64; @@ -235,7 +230,7 @@ pub fn expm_multiply(a: &CsrMatrix, t: f64, b: &[f64], opts: ExpmOpts) -> Vec CsrMatrix { + fn diag(vals: &[f64]) -> Csr { let trips: Vec<_> = vals.iter().enumerate().map(|(i, &v)| (i, i, v)).collect(); - CsrMatrix::from_triplets(vals.len(), &trips) + csr_from_triplets(vals.len(), &trips) } #[test] @@ -274,7 +269,7 @@ mod tests { // [[1, 0, 2], // [0, 3, 0], // [4, 0, 5]] - let m = CsrMatrix::from_triplets( + let m = csr_from_triplets( 3, &[ (0, 0, 1.0), @@ -286,17 +281,17 @@ mod tests { ); let x = vec![1.0, 1.0, 1.0]; let mut y = vec![0.0; 3]; - m.spmv_serial(&x, &mut y); + spmv_serial(&m, &x, &mut y); assert_eq!(y, vec![3.0, 3.0, 9.0]); let mut y_par = vec![0.0; 3]; - m.spmv_parallel(&x, &mut y_par); + spmv_parallel(&m, &x, &mut y_par); assert_eq!(y_par, vec![3.0, 3.0, 9.0]); } #[test] fn one_norm() { // 1-norm = max column abs-sum. Above: col0=5, col1=3, col2=7 → 7. - let m = CsrMatrix::from_triplets( + let m = csr_from_triplets( 3, &[ (0, 0, 1.0), @@ -306,7 +301,7 @@ mod tests { (2, 2, 5.0), ], ); - assert_abs_diff_eq!(m.one_norm(), 7.0); + assert_abs_diff_eq!(csr_one_norm(&m), 7.0); } #[test] @@ -335,7 +330,7 @@ mod tests { fn expm_skew_rotation() { // A = [[0, 1], [-1, 0]]: exp(tA) is rotation by t. // exp(t·A)·(1, 0)^T = (cos t, -sin t)^T. - let m = CsrMatrix::from_triplets(2, &[(0, 1, 1.0), (1, 0, -1.0)]); + let m = csr_from_triplets(2, &[(0, 1, 1.0), (1, 0, -1.0)]); let b = vec![1.0, 0.0]; let t = 0.7; let r = expm_multiply(&m, t, &b, ExpmOpts::default()); @@ -362,7 +357,7 @@ mod tests { .flatten() }) .collect(); - let m = CsrMatrix::from_triplets(50, &trips); + let m = csr_from_triplets(50, &trips); let b: Vec = (0..50).map(|i| 1.0 / (i + 1) as f64).collect(); let r_serial = expm_multiply( &m, diff --git a/crates/ppvm-lindblad/src/lib.rs b/crates/ppvm-lindblad/src/lib.rs index 1da78b0e4..df8769c06 100644 --- a/crates/ppvm-lindblad/src/lib.rs +++ b/crates/ppvm-lindblad/src/lib.rs @@ -42,7 +42,7 @@ use std::fmt; use std::time::Instant; pub mod expm; -pub use expm::{CsrMatrix, ExpmOpts, expm_multiply}; +pub use expm::{Csr, ExpmOpts, csr_from_triplets, csr_one_norm, expm_multiply, spmv_parallel}; /// Words pack up to 128 qubits. const W_U64: usize = 2; @@ -693,15 +693,10 @@ impl LindbladSpec { /// `Vec>` → `Vec<...>` flatten *and* the sequential /// `from_triplets` count-and-scatter that dominated the original /// `generator_csr` (~40% of PC-step wall time). - pub fn generator_csr(&self, basis: &[Word]) -> CsrMatrix { + pub fn generator_csr(&self, basis: &[Word]) -> Csr { let n = basis.len(); if n == 0 { - return CsrMatrix { - n: 0, - row_ptr: vec![0], - col_idx: Vec::new(), - values: Vec::new(), - }; + return Csr::new((0, 0), vec![0], Vec::new(), Vec::new()); } let index = build_basis_index(basis); @@ -773,15 +768,15 @@ impl LindbladSpec { for c in row_counts.iter() { c.store(0, Ordering::Relaxed); } - // We need parallel writes into shared `col_idx` and `values`. + // We need parallel writes into shared `indices` and `data`. // Safety: each `(row, slot)` pair is unique by construction (every // (row, col) appears at most once per column, and atomic increment // gives a unique slot per (row, write) event). We use raw-pointer // writes inside `unsafe` to express this without RwLock overhead. - let mut col_idx = vec![0u32; nnz]; - let mut values = vec![0f64; nnz]; - let col_idx_ptr = SendPtr(col_idx.as_mut_ptr()); - let values_ptr = SendPtr(values.as_mut_ptr()); + let mut indices = vec![0u32; nnz]; + let mut data = vec![0f64; nnz]; + let indices_ptr = SendPtr(indices.as_mut_ptr()); + let data_ptr = SendPtr(data.as_mut_ptr()); let row_ptr_ref: &[usize] = &row_ptr; let row_counts_ref: &[AtomicU32] = &row_counts; // `move` on the closure forces whole-struct capture of `SendPtr` @@ -798,18 +793,15 @@ impl LindbladSpec { // per (row, write event)) and `pos < nnz` (counter bounded // by precomputed row count). unsafe { - col_idx_ptr.write(pos, col as u32); - values_ptr.write(pos, v); + indices_ptr.write(pos, col as u32); + data_ptr.write(pos, v); } } }); - CsrMatrix { - n, - row_ptr, - col_idx, - values, - } + Csr::new_from_unsorted((n, n), row_ptr, indices, data) + .map_err(|(_, _, _, e)| e) + .expect("invalid CSR structure") } /// Predictor-corrector adaptive step. From e043ae17184b674ef2e8bb831ae276d8b06ec4df Mon Sep 17 00:00:00 2001 From: alexschuckert Date: Wed, 3 Jun 2026 17:19:13 +0100 Subject: [PATCH 08/23] feat(ppvm-lindblad): add `drop_tol` to pc_step for in-Rust basis pruning MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit `pc_step` now takes an optional `drop_tol` parameter. At the end of the predictor-corrector step (after the corrector expm_multiply), any basis entry whose absolute coefficient is below `drop_tol` is removed from the basis, unless the corresponding Pauli word appears in `protected`. Implemented as a small in-place compaction (FxHashSet lookup on `protected`, single pass swap-and-truncate over basis+coeffs). No-op when `drop_tol ≤ 0`, preserving the existing add-only growth behaviour. Motivation: at γ = 0 (pure unitary Hamiltonian dynamics) there is no physical damping of small-coefficient strings, so the basis grows monotonically with only `tau_add` as a brake. `drop_tol > 0` lets the caller actively prune entries whose coefficient has decayed, keeping the basis bounded and making γ-extrapolation experiments feasible. Plumbed through `ppvm_lindblad::Lindbladian::pc_step{,_timed}`, the PyO3 binding (new optional kwarg, defaults to 0.0), and the Python shim `ppvm.lindblad.Lindbladian.pc_step{,_arr}`. Verified: - All 10 Rust lib tests still pass. - All 122 Python tests still pass. - Smoke test: at L=6, NN XY, γ=0, seed = Z_2: no drop_tol → basis saturates at 36 strings drop_tol = 0.05 → basis stays at 9 drop_tol = 0.5 → basis stays at 1 (only protected Z_2) drop_tol = 1.5 → basis stays at 1 (protected never dropped) Protected words are never removed regardless of magnitude. Co-Authored-By: Claude Opus 4.7 --- crates/ppvm-lindblad/src/lib.rs | 41 ++++++++++++++++++++--- crates/ppvm-python-native/src/lindblad.rs | 6 ++++ ppvm-python/src/ppvm/lindblad.py | 12 ++++++- 3 files changed, 53 insertions(+), 6 deletions(-) diff --git a/crates/ppvm-lindblad/src/lib.rs b/crates/ppvm-lindblad/src/lib.rs index df8769c06..1181dcd36 100644 --- a/crates/ppvm-lindblad/src/lib.rs +++ b/crates/ppvm-lindblad/src/lib.rs @@ -33,7 +33,7 @@ //! operate directly on raw `u64` chunks for speed. use dashmap::DashMap; -use fxhash::{FxBuildHasher, FxHashMap}; +use fxhash::{FxBuildHasher, FxHashMap, FxHashSet}; use num::Complex; use ppvm_runtime::traits::PauliWordTrait; use ppvm_runtime::word::PauliWord; @@ -836,6 +836,7 @@ impl LindbladSpec { coeffs: &mut Vec, dt: f64, tau_add: f64, + drop_tol: f64, protected: &[Word], opts: ExpmOpts, num_threads: Option, @@ -845,9 +846,9 @@ impl LindbladSpec { .num_threads(n) .build() .map_err(|e| Error::Internal(format!("rayon pool build: {e}")))?; - pool.install(|| self.pc_step_inner(basis, coeffs, dt, tau_add, protected, opts)) + pool.install(|| self.pc_step_inner(basis, coeffs, dt, tau_add, drop_tol, protected, opts)) } else { - self.pc_step_inner(basis, coeffs, dt, tau_add, protected, opts) + self.pc_step_inner(basis, coeffs, dt, tau_add, drop_tol, protected, opts) } } @@ -862,6 +863,7 @@ impl LindbladSpec { coeffs: &mut Vec, dt: f64, tau_add: f64, + drop_tol: f64, protected: &[Word], opts: ExpmOpts, num_threads: Option, @@ -871,9 +873,9 @@ impl LindbladSpec { .num_threads(n) .build() .map_err(|e| Error::Internal(format!("rayon pool build: {e}")))?; - pool.install(|| self.pc_step_inner_timed(basis, coeffs, dt, tau_add, protected, opts)) + pool.install(|| self.pc_step_inner_timed(basis, coeffs, dt, tau_add, drop_tol, protected, opts)) } else { - self.pc_step_inner_timed(basis, coeffs, dt, tau_add, protected, opts) + self.pc_step_inner_timed(basis, coeffs, dt, tau_add, drop_tol, protected, opts) } } @@ -883,6 +885,7 @@ impl LindbladSpec { coeffs: &mut Vec, dt: f64, tau_add: f64, + drop_tol: f64, protected: &[Word], opts: ExpmOpts, ) -> Result { @@ -933,6 +936,8 @@ impl LindbladSpec { *coeffs = expm_multiply(&csr, dt, &coeffs_pre_padded, opts); t.expm2_us = t0.elapsed().as_micros() as u64; + prune_basis(basis, coeffs, drop_tol, protected); + Ok(t) } @@ -942,6 +947,7 @@ impl LindbladSpec { coeffs: &mut Vec, dt: f64, tau_add: f64, + drop_tol: f64, protected: &[Word], opts: ExpmOpts, ) -> Result<(), Error> { @@ -969,6 +975,8 @@ impl LindbladSpec { // 4. Corrector: redo from pre-step state on the doubly-enlarged basis. let csr = self.generator_csr(basis); *coeffs = expm_multiply(&csr, dt, &coeffs_pre_padded, opts); + // 5. Prune basis entries below `drop_tol` (protected words never dropped). + prune_basis(basis, coeffs, drop_tol, protected); Ok(()) } @@ -1095,6 +1103,29 @@ fn word_hash(w: &Word) -> u64 { h.finish() } +/// Compact `basis` / `coeffs` in place: drop entries whose absolute +/// coefficient is below `drop_tol` unless the word appears in `protected`. +/// No-op when `drop_tol ≤ 0`. +fn prune_basis(basis: &mut Vec, coeffs: &mut Vec, drop_tol: f64, protected: &[Word]) { + if drop_tol <= 0.0 { + return; + } + debug_assert_eq!(basis.len(), coeffs.len()); + let protected_set: FxHashSet<&Word> = protected.iter().collect(); + let mut write = 0; + for read in 0..basis.len() { + if coeffs[read].abs() >= drop_tol || protected_set.contains(&basis[read]) { + if write != read { + basis.swap(write, read); + coeffs.swap(write, read); + } + write += 1; + } + } + basis.truncate(write); + coeffs.truncate(write); +} + /// Build a `word → row` map for a basis assumed to contain unique Pauli /// words; debug-asserts the uniqueness invariant. fn build_basis_index(basis: &[Word]) -> FxHashMap { diff --git a/crates/ppvm-python-native/src/lindblad.rs b/crates/ppvm-python-native/src/lindblad.rs index 7de0b90ed..a2ece361a 100644 --- a/crates/ppvm-python-native/src/lindblad.rs +++ b/crates/ppvm-python-native/src/lindblad.rs @@ -214,6 +214,7 @@ impl LindbladSpec { /// Returns `(new_basis, new_coeffs)`. #[pyo3(signature = ( basis, coeffs, dt, tau_add, + drop_tol = 0.0, protected = None, expm_tol = 1e-12, parallel_threshold = 50_000, @@ -227,6 +228,7 @@ impl LindbladSpec { coeffs: PyReadonlyArray1<'py, f64>, dt: f64, tau_add: f64, + drop_tol: f64, protected: Option>, expm_tol: f64, parallel_threshold: usize, @@ -259,6 +261,7 @@ impl LindbladSpec { &mut coeffs_vec, dt, tau_add, + drop_tol, &protected_words, opts, num_threads, @@ -274,6 +277,7 @@ impl LindbladSpec { /// name → microseconds spent in that phase, for profiling. #[pyo3(signature = ( basis, coeffs, dt, tau_add, + drop_tol = 0.0, protected = None, expm_tol = 1e-12, parallel_threshold = 50_000, @@ -287,6 +291,7 @@ impl LindbladSpec { coeffs: PyReadonlyArray1<'py, f64>, dt: f64, tau_add: f64, + drop_tol: f64, protected: Option>, expm_tol: f64, parallel_threshold: usize, @@ -320,6 +325,7 @@ impl LindbladSpec { &mut coeffs_vec, dt, tau_add, + drop_tol, &protected_words, opts, num_threads, diff --git a/ppvm-python/src/ppvm/lindblad.py b/ppvm-python/src/ppvm/lindblad.py index 6ba2dd4a7..4d6b29bfe 100644 --- a/ppvm-python/src/ppvm/lindblad.py +++ b/ppvm-python/src/ppvm/lindblad.py @@ -237,6 +237,7 @@ def pc_step_arr( coeffs: np.ndarray, dt: float, tau_add: float, + drop_tol: float = 0.0, protected_arr: np.ndarray | None = None, expm_tol: float = 1e-12, parallel_threshold: int = 50_000, @@ -250,10 +251,16 @@ def pc_step_arr( with rayon-parallel SpMV when the restricted generator has more than ``parallel_threshold`` nonzeros. + When ``drop_tol > 0``, basis entries whose absolute coefficient is + below ``drop_tol`` after the corrector are pruned from the returned + basis (unless the word is in ``protected_arr``). Useful at γ = 0, + where there is no physical damping of small-coefficient strings. + ``num_threads``, when set, pins this call to a freshly-built rayon pool of that size — useful for benchmarking parallel scaling. - Returns ``(new_basis_arr, new_coeffs)``; the basis may have grown. + Returns ``(new_basis_arr, new_coeffs)``; the basis may have grown + (or shrunk, if ``drop_tol`` pruned entries). """ n = self.n_qubits if protected_arr is None: @@ -263,6 +270,7 @@ def pc_step_arr( np.ascontiguousarray(coeffs, dtype=np.float64), float(dt), float(tau_add), + float(drop_tol), np.ascontiguousarray(protected_arr, dtype=np.uint8), float(expm_tol), int(parallel_threshold), @@ -275,6 +283,7 @@ def pc_step( coeffs: np.ndarray, dt: float, tau_add: float, + drop_tol: float = 0.0, protected: Sequence[str] | None = None, expm_tol: float = 1e-12, parallel_threshold: int = 50_000, @@ -291,6 +300,7 @@ def pc_step( coeffs, dt, tau_add, + drop_tol, protected_arr, expm_tol, parallel_threshold, From 5ad4e83e46bce6b644506ab6908d8b581581d3f9 Mon Sep 17 00:00:00 2001 From: alexschuckert Date: Thu, 4 Jun 2026 07:10:14 +0100 Subject: [PATCH 09/23] Remove action_cache from LindbladSpec MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit Empirical benchmarks (xy-experiments/bench_cache_*.py, see PR thread) showed that the per-Pauli `L*(p)` memoisation cache: - HURTS wall time for sparse-local Hamiltonians (e.g. XX ladder): hash- map lookup latency at million-entry scale matches the cost of just recomputing the few-bond commutator. cache_ON 195s vs cache_OFF 149s at L=20 ladder, |basis|=3.7M (-24%). - Helps modestly for dense long-range Hamiltonians (LR-XY, α=1): ~25% speedup, BUT at ~5 KB per cached entry. At basis sizes that matter (10⁶+), this consumes tens of GB and pushes runs into OOM well before the basis itself does. In both regimes — and especially for the L=41 sweeps that just OOM'd on Perlmutter at γ=0 / tight add_tol — the cache is a net loss. Pauli propagation is intrinsically memory-limited (basis + transient action lists), so any per-Pauli auxiliary storage just shrinks the reachable problem size. Strips: - `action_cache: DashMap` field + `cache_enabled: AtomicBool` flag - `clear_cache()`, `cache_size()`, `set_cache_enabled()` on LindbladSpec - corresponding PyO3 bindings and Python wrapper methods - `dashmap` Cargo dep (no other code in the crate uses it) - `L_op.clear_cache()` calls in demos and tests (now no-ops anyway) All 10 Rust lib tests + 122 Python tests still pass. End-to-end behaviour unchanged; just lower memory + (often) faster. Co-Authored-By: Claude Opus 4.7 --- Cargo.lock | 1 - crates/ppvm-lindblad/Cargo.toml | 1 - crates/ppvm-lindblad/src/lib.rs | 101 ++++-------------- crates/ppvm-python-native/src/lindblad.rs | 9 -- ppvm-python/demo/lindblad_adaptive.py | 1 - ppvm-python/demo/lindblad_pc_scaling.py | 2 - ppvm-python/src/ppvm/lindblad.py | 7 -- ppvm-python/test/lindblad/test_adaptive_pc.py | 3 - .../test/lindblad/test_pc_step_rust.py | 3 - 9 files changed, 23 insertions(+), 105 deletions(-) diff --git a/Cargo.lock b/Cargo.lock index 71a69b18b..6fa7c0fea 100644 --- a/Cargo.lock +++ b/Cargo.lock @@ -923,7 +923,6 @@ version = "0.1.0" dependencies = [ "approx", "criterion", - "dashmap", "fxhash", "num", "ppvm-runtime", diff --git a/crates/ppvm-lindblad/Cargo.toml b/crates/ppvm-lindblad/Cargo.toml index cd4a822e9..eec8cd1a2 100644 --- a/crates/ppvm-lindblad/Cargo.toml +++ b/crates/ppvm-lindblad/Cargo.toml @@ -5,7 +5,6 @@ edition = "2024" description = "Direct Heisenberg-picture Lindbladian evolution on an adaptive Pauli-string basis." [dependencies] -dashmap = "6.1.0" fxhash = "0.2.1" num = "0.4.3" ppvm-runtime = { version = "0.1.0", path = "../ppvm-runtime" } diff --git a/crates/ppvm-lindblad/src/lib.rs b/crates/ppvm-lindblad/src/lib.rs index 1181dcd36..4483c536f 100644 --- a/crates/ppvm-lindblad/src/lib.rs +++ b/crates/ppvm-lindblad/src/lib.rs @@ -32,7 +32,6 @@ //! hot-path commutator/product loops bypass the higher-level word API and //! operate directly on raw `u64` chunks for speed. -use dashmap::DashMap; use fxhash::{FxBuildHasher, FxHashMap, FxHashSet}; use num::Complex; use ppvm_runtime::traits::PauliWordTrait; @@ -398,10 +397,11 @@ fn precompute_ldagger_l(terms: &[PauliTerm]) -> Vec { /// Precompiled Lindbladian. Constructed once from string-form Hamiltonian /// terms + jump operators; reused across many calls to [`Self::action`], -/// [`Self::leakage`], [`Self::generator`]. -/// -/// `action_cache` memoises the per-input contribution list — without it, -/// every call re-derives the same `L*(p)` from scratch for the same input. +/// [`Self::leakage`], [`Self::generator`]. `L*(p)` is recomputed fresh on +/// every call — empirical benchmarks showed that the previous global +/// `action_cache` hurt wall time for sparse-local Hamiltonians (hash-map +/// lookup ≳ recompute) and consumed several KB per cached Pauli word, which +/// blocked us from reaching the basis sizes needed for L=41 sweeps. pub struct LindbladSpec { n_qubits: usize, h_terms: Vec, @@ -410,7 +410,6 @@ pub struct LindbladSpec { h_support: Vec>, /// `j_support[q]` = indices of jumps whose support contains qubit `q`. j_support: Vec>, - action_cache: DashMap, FxBuildHasher>, } /// User-facing description of one jump operator: a complex Pauli linear @@ -504,19 +503,9 @@ impl LindbladSpec { j_kinds, h_support: h_support_idx, j_support: j_support_idx, - action_cache: DashMap::with_hasher(FxBuildHasher::default()), }) } - /// Drop all memoised `L*(p)` entries. - pub fn clear_cache(&self) { - self.action_cache.clear(); - } - - pub fn cache_size(&self) -> usize { - self.action_cache.len() - } - pub fn n_qubits(&self) -> usize { self.n_qubits } @@ -587,28 +576,15 @@ impl LindbladSpec { ) }, |(s1, s2, lm), (p, &c)| { - if let Some(r) = self.action_cache.get(p) { - let terms = r.value(); - let mut out = Vec::with_capacity(terms.len()); - for (w, v) in terms.iter() { - let h = word_hash(w); - if !in_basis.contains_key(&h) && !protected_set.contains_key(&h) { - out.push((w.clone(), c * *v)); - } - } - out - } else { - let terms = self.compute_action_terms(p, s1, s2, lm); - let mut out = Vec::with_capacity(terms.len()); - for (w, v) in terms.iter() { - let h = word_hash(w); - if !in_basis.contains_key(&h) && !protected_set.contains_key(&h) { - out.push((w.clone(), c * *v)); - } + let terms = self.compute_action_terms(p, s1, s2, lm); + let mut out = Vec::with_capacity(terms.len()); + for (w, v) in terms.iter() { + let h = word_hash(w); + if !in_basis.contains_key(&h) && !protected_set.contains_key(&h) { + out.push((w.clone(), c * *v)); } - self.action_cache.insert(p.clone(), terms); - out } + out }, ) .collect(); @@ -649,24 +625,12 @@ impl LindbladSpec { ) }, |(s1, s2, lm), (col, p)| { - let mut out: Vec<(usize, usize, f64)>; - if let Some(r) = self.action_cache.get(p) { - let terms = r.value(); - out = Vec::with_capacity(terms.len()); - for (w, v) in terms.iter() { - if let Some(&row) = index.get(w) { - out.push((row as usize, col, *v)); - } - } - } else { - let terms = self.compute_action_terms(p, s1, s2, lm); - out = Vec::with_capacity(terms.len()); - for (w, v) in terms.iter() { - if let Some(&row) = index.get(w) { - out.push((row as usize, col, *v)); - } + let terms = self.compute_action_terms(p, s1, s2, lm); + let mut out = Vec::with_capacity(terms.len()); + for (w, v) in terms.iter() { + if let Some(&row) = index.get(w) { + out.push((row as usize, col, *v)); } - self.action_cache.insert(p.clone(), terms); } out }, @@ -717,24 +681,12 @@ impl LindbladSpec { ) }, |(s1, s2, lm), p| { - let mut out: Vec<(u32, f64)>; - if let Some(r) = self.action_cache.get(p) { - let terms = r.value(); - out = Vec::with_capacity(terms.len()); - for (w, v) in terms.iter() { - if let Some(&row) = index.get(w) { - out.push((row, *v)); - } - } - } else { - let terms = self.compute_action_terms(p, s1, s2, lm); - out = Vec::with_capacity(terms.len()); - for (w, v) in terms.iter() { - if let Some(&row) = index.get(w) { - out.push((row, *v)); - } + let terms = self.compute_action_terms(p, s1, s2, lm); + let mut out = Vec::with_capacity(terms.len()); + for (w, v) in terms.iter() { + if let Some(&row) = index.get(w) { + out.push((row, *v)); } - self.action_cache.insert(p.clone(), terms); } out }, @@ -1059,7 +1011,7 @@ impl LindbladSpec { .collect() } - /// Accumulate `scale · L*(p)` into `out`, hitting the cache when warm. + /// Accumulate `scale · L*(p)` into `out`. fn accumulate_action( &self, p: &Word, @@ -1068,19 +1020,12 @@ impl LindbladSpec { scratch_support: &mut Vec, scratch_cands: &mut Vec, ) { - if let Some(r) = self.action_cache.get(p) { - for (w, c) in r.value().iter() { - *out.entry(w.clone()).or_insert(0.0) += scale * c; - } - return; - } let mut scratch_local = FxHashMap::default(); let terms = self.compute_action_terms(p, scratch_support, scratch_cands, &mut scratch_local); for (w, c) in terms.iter() { *out.entry(w.clone()).or_insert(0.0) += scale * c; } - self.action_cache.insert(p.clone(), terms); } } diff --git a/crates/ppvm-python-native/src/lindblad.rs b/crates/ppvm-python-native/src/lindblad.rs index a2ece361a..bc1a6bd8f 100644 --- a/crates/ppvm-python-native/src/lindblad.rs +++ b/crates/ppvm-python-native/src/lindblad.rs @@ -134,15 +134,6 @@ impl LindbladSpec { Ok(Self { inner }) } - fn clear_cache(&self) { - self.inner.clear_cache(); - } - - #[getter] - fn cache_size(&self) -> usize { - self.inner.cache_size() - } - #[getter] fn n_qubits(&self) -> usize { self.inner.n_qubits() diff --git a/ppvm-python/demo/lindblad_adaptive.py b/ppvm-python/demo/lindblad_adaptive.py index 227f5d908..e6ee9dc1a 100644 --- a/ppvm-python/demo/lindblad_adaptive.py +++ b/ppvm-python/demo/lindblad_adaptive.py @@ -231,7 +231,6 @@ def run_mode(kk): max_w_t = np.empty(steps + 1, dtype=np.int64) discarded_cum = np.zeros(steps + 1) - L_op.clear_cache() for nt in range(steps + 1): # Overlap with the (fixed) initial target. c_t = sum(coeff[index[trow.tobytes()]] * tc diff --git a/ppvm-python/demo/lindblad_pc_scaling.py b/ppvm-python/demo/lindblad_pc_scaling.py index 0756ebb60..80d00b5c9 100644 --- a/ppvm-python/demo/lindblad_pc_scaling.py +++ b/ppvm-python/demo/lindblad_pc_scaling.py @@ -141,7 +141,6 @@ def run_pc_steps(L_op, L, site0, dt, n_steps, tau_add, num_threads): site0 = L // 2 for n in range(1, max_cores + 1): run_pc_steps(L_op, L, site0, dt, warmup_steps, tau_add, n) -L_op.clear_cache() # %% [markdown] @@ -150,7 +149,6 @@ def run_pc_steps(L_op, L, site0, dt, n_steps, tau_add, num_threads): # %% results = [] for n in range(1, max_cores + 1): - L_op.clear_cache() times, basis_size = run_pc_steps(L_op, L, site0, dt, n_steps, tau_add, n) first = times[0] * 1000.0 steady = median(times[1:]) * 1000.0 diff --git a/ppvm-python/src/ppvm/lindblad.py b/ppvm-python/src/ppvm/lindblad.py index 4d6b29bfe..5794eb366 100644 --- a/ppvm-python/src/ppvm/lindblad.py +++ b/ppvm-python/src/ppvm/lindblad.py @@ -190,13 +190,6 @@ def num_h_terms(self) -> int: def num_jump_terms(self) -> int: return self._spec.num_jump_terms - @property - def cache_size(self) -> int: - return self._spec.cache_size - - def clear_cache(self) -> None: - self._spec.clear_cache() - # ── Pure-ndarray hot path ── def action_arr(self, p: np.ndarray) -> tuple[np.ndarray, np.ndarray]: diff --git a/ppvm-python/test/lindblad/test_adaptive_pc.py b/ppvm-python/test/lindblad/test_adaptive_pc.py index 762c8f57f..83578d979 100644 --- a/ppvm-python/test/lindblad/test_adaptive_pc.py +++ b/ppvm-python/test/lindblad/test_adaptive_pc.py @@ -47,7 +47,6 @@ def test_adaptive_converges_to_nn_xy_z_dephasing_bilinear(): n_steps = round(T / dt) times = np.arange(n_steps + 1) * dt exact = bilinear_nn_xy_z_dephasing_obc(L, J, gamma, times, site0) - L_op.clear_cache() shim = adaptive_z_correlator(L_op, L, site0, dt, n_steps, tau_add) # Endpoint comparison only — independent of which step counts we use. errors.append(float(np.max(np.abs(shim[-1] - exact[-1])))) @@ -86,9 +85,7 @@ def test_predictor_corrector_lifts_dt_scaling_to_cubic(): n_steps = round(T / dt) times = np.arange(n_steps + 1) * dt exact = bilinear_nn_xy_z_dephasing_obc(L, J, gamma, times, site0) - L_op.clear_cache() single = adaptive_z_correlator(L_op, L, site0, dt, n_steps, tau_add) - L_op.clear_cache() pc = adaptive_z_correlator_pc(L_op, L, site0, dt, n_steps, tau_add) err_single.append(float(np.max(np.abs(single[-1] - exact[-1])))) err_pc.append(float(np.max(np.abs(pc[-1] - exact[-1])))) diff --git a/ppvm-python/test/lindblad/test_pc_step_rust.py b/ppvm-python/test/lindblad/test_pc_step_rust.py index 24ce4529f..6332f1959 100644 --- a/ppvm-python/test/lindblad/test_pc_step_rust.py +++ b/ppvm-python/test/lindblad/test_pc_step_rust.py @@ -62,9 +62,7 @@ def test_pc_step_rust_matches_python_pc(): h_terms, jump_terms = nn_xy_z_dephasing_obc(L, J, gamma) L_op = Lindbladian(L, h_terms, jump_terms) - L_op.clear_cache() rust = _adaptive_z_correlator_pc_rust(L_op, L, site0, dt, n_steps, tau_add) - L_op.clear_cache() py_ref = adaptive_z_correlator_pc(L_op, L, site0, dt, n_steps, tau_add) diff = float(np.max(np.abs(rust - py_ref))) @@ -90,7 +88,6 @@ def test_pc_step_rust_dt_scaling_is_cubic(): n_steps = round(T / dt) times = np.arange(n_steps + 1) * dt exact = bilinear_nn_xy_z_dephasing_obc(L, J, gamma, times, site0) - L_op.clear_cache() rust = _adaptive_z_correlator_pc_rust(L_op, L, site0, dt, n_steps, tau_add) err.append(float(np.max(np.abs(rust[-1] - exact[-1])))) From 53f7ff295846111702ee8b391286f75c583bc09a Mon Sep 17 00:00:00 2001 From: alexschuckert Date: Thu, 4 Jun 2026 10:18:15 +0100 Subject: [PATCH 10/23] =?UTF-8?q?perf(ppvm-lindblad):=20mimalloc=20allocat?= =?UTF-8?q?or=20+=20chunked=20leakage=20=E2=86=92=20~50%=20peak=20RSS=20cu?= =?UTF-8?q?t?= MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit Two memory optimisations on top of the adaptive-Pauli evolution paths: 1. **Switch ppvm-python-native to the mimalloc global allocator.** The system allocator (macOS / glibc malloc) holds onto freed pages in arena freelists, so the OS-reported RSS stays high even after Rust has freed allocations. mimalloc returns pages to the kernel much more aggressively. Drop-in, ~5 lines. 2. **Chunk `leakage_inner`'s parallel pass into batches of 4096 basis rows.** Previously `basis.par_iter().map_init(...).collect()` materialised the full `Vec>` (~N × A × 24 B) in memory simultaneously before merging — ~430 MB at L=51 LR-XY, N=14 K, A≈1275. Now each chunk's `Vec` is merged into the global `FxHashMap` and dropped before the next chunk starts; peak in-flight is bounded to `CHUNK_SIZE · A · 24 B`. Chunk of 4096 still gives ~400 items per rayon worker so parallelism stays healthy. Benchmark on macOS at two configs (separate process per measurement so ru_maxrss is clean): ``` config wall(s) peak RSS (MB) before after before after LR-XY L=51 γ=1 add_tol=2e-4 18.51 16.51 3160 1759 (-44%) LR-XY L=12 γ=0.1 add_tol=2e-4 13.10 11.56 4583 1797 (-61%) ``` Memory ~halved; wall ~10-15 % faster (mimalloc is itself faster than the system allocator). All 10 Rust lib tests + 122 Python tests pass. This lets the L=41 / γ=0 / tight-tol sweeps that were OOM-ing at 80 GB on Perlmutter shared nodes likely fit, and roughly doubles the largest basis we can reach on a fixed memory budget. Co-Authored-By: Claude Opus 4.7 --- Cargo.lock | 19 +++++++ crates/ppvm-lindblad/src/lib.rs | 78 +++++++++++++++------------- crates/ppvm-python-native/Cargo.toml | 1 + crates/ppvm-python-native/src/lib.rs | 7 +++ 4 files changed, 69 insertions(+), 36 deletions(-) diff --git a/Cargo.lock b/Cargo.lock index 6fa7c0fea..0ff0ccf05 100644 --- a/Cargo.lock +++ b/Cargo.lock @@ -653,6 +653,15 @@ version = "0.2.176" source = "registry+https://github.com/rust-lang/crates.io-index" checksum = "58f929b4d672ea937a23a1ab494143d968337a5f47e56d0815df1e0890ddf174" +[[package]] +name = "libmimalloc-sys" +version = "0.1.49" +source = "registry+https://github.com/rust-lang/crates.io-index" +checksum = "6a45a52f43e1c16f667ccfe4dd8c85b7f7c204fd5e3bf46c5b0db9a5c3c0b8e9" +dependencies = [ + "cc", +] + [[package]] name = "linux-raw-sys" version = "0.11.0" @@ -700,6 +709,15 @@ dependencies = [ "autocfg", ] +[[package]] +name = "mimalloc" +version = "0.1.52" +source = "registry+https://github.com/rust-lang/crates.io-index" +checksum = "2d4139bb28d14ad1facf21d5eb8825051b326e172d216b39f6d31df53cc97862" +dependencies = [ + "libmimalloc-sys", +] + [[package]] name = "ndarray" version = "0.17.2" @@ -937,6 +955,7 @@ dependencies = [ "bnum", "dashmap", "fxhash", + "mimalloc", "num", "numpy", "paste", diff --git a/crates/ppvm-lindblad/src/lib.rs b/crates/ppvm-lindblad/src/lib.rs index 4483c536f..56bed1b62 100644 --- a/crates/ppvm-lindblad/src/lib.rs +++ b/crates/ppvm-lindblad/src/lib.rs @@ -556,43 +556,49 @@ impl LindbladSpec { let protected_set: FxHashMap = protected.iter().map(|w| (word_hash(w), ())).collect(); - // `map_init` gives each rayon worker a thread-local scratch tuple - // that lives for the duration of the par_iter. We reuse the - // hashmap + scratch vectors across all basis elements processed - // by the same thread — the previous per-task allocations were a - // real cost at large basis sizes. - let local: Vec> = basis - .par_iter() - .zip(coeffs.par_iter()) - .map_init( - || { - ( - Vec::::with_capacity(self.n_qubits), - Vec::::with_capacity(128), - FxHashMap::>::with_capacity_and_hasher( - 128, - FxBuildHasher::default(), - ), - ) - }, - |(s1, s2, lm), (p, &c)| { - let terms = self.compute_action_terms(p, s1, s2, lm); - let mut out = Vec::with_capacity(terms.len()); - for (w, v) in terms.iter() { - let h = word_hash(w); - if !in_basis.contains_key(&h) && !protected_set.contains_key(&h) { - out.push((w.clone(), c * *v)); - } - } - out - }, - ) - .collect(); - + // Chunked parallel pass. Materialising the full `Vec>` + // at once held N · A · 24 B bytes simultaneously (~430 MB at L=51 + // LR-XY, N=14 K, A≈1275). Processing in chunks of `CHUNK_SIZE` + // basis rows bounds the in-flight per-Pauli output Vecs to one + // chunk's worth, and merging immediately into `merged` returns + // those bytes to the allocator before the next chunk starts. + const CHUNK_SIZE: usize = 4096; let mut merged: FxHashMap = FxHashMap::default(); - for v in local { - for (k, val) in v { - *merged.entry(k).or_insert(0.0) += val; + for chunk_start in (0..basis.len()).step_by(CHUNK_SIZE) { + let chunk_end = (chunk_start + CHUNK_SIZE).min(basis.len()); + let chunk_basis = &basis[chunk_start..chunk_end]; + let chunk_coeffs = &coeffs[chunk_start..chunk_end]; + let local: Vec> = chunk_basis + .par_iter() + .zip(chunk_coeffs.par_iter()) + .map_init( + || { + ( + Vec::::with_capacity(self.n_qubits), + Vec::::with_capacity(128), + FxHashMap::>::with_capacity_and_hasher( + 128, + FxBuildHasher::default(), + ), + ) + }, + |(s1, s2, lm), (p, &c)| { + let terms = self.compute_action_terms(p, s1, s2, lm); + let mut out = Vec::with_capacity(terms.len()); + for (w, v) in terms.iter() { + let h = word_hash(w); + if !in_basis.contains_key(&h) && !protected_set.contains_key(&h) { + out.push((w.clone(), c * *v)); + } + } + out + }, + ) + .collect(); + for v in local { + for (k, val) in v { + *merged.entry(k).or_insert(0.0) += val; + } } } Ok(merged.into_iter().filter(|(_, c)| *c != 0.0).collect()) diff --git a/crates/ppvm-python-native/Cargo.toml b/crates/ppvm-python-native/Cargo.toml index 01987b189..4ae41a5a3 100644 --- a/crates/ppvm-python-native/Cargo.toml +++ b/crates/ppvm-python-native/Cargo.toml @@ -10,6 +10,7 @@ crate-type = ["cdylib"] [dependencies] bnum = "0.13.0" +mimalloc = { version = "0.1", default-features = false } dashmap = "6.1.0" fxhash = "0.2.1" num = "0.4.3" diff --git a/crates/ppvm-python-native/src/lib.rs b/crates/ppvm-python-native/src/lib.rs index 9fd268994..6d868196d 100644 --- a/crates/ppvm-python-native/src/lib.rs +++ b/crates/ppvm-python-native/src/lib.rs @@ -1,6 +1,13 @@ // SPDX-FileCopyrightText: 2026 The PPVM Authors // SPDX-License-Identifier: Apache-2.0 +// mimalloc returns freed pages to the kernel more aggressively than the +// default system allocator. This materially reduces peak RSS for the +// allocation-heavy adaptive-Pauli paths (leakage + generator each +// allocate hundreds of MB of transient Vec data per pc_step). +#[global_allocator] +static GLOBAL: mimalloc::MiMalloc = mimalloc::MiMalloc; + use pyo3::prelude::*; pub mod interface; From d763aa8a2990b3557630ba1befd0c87647bbf925 Mon Sep 17 00:00:00 2001 From: alexschuckert Date: Thu, 4 Jun 2026 17:15:02 +0100 Subject: [PATCH 11/23] feat(lindblad): K parameter for pc_step; default K=5 MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit Tie the leakage-rate add threshold to the post-step drop threshold via tau_add = K * drop_tol / dt with K=5 as the default — Pareto-optimal in the L=51 LR-XY γ=1 study (K=5, drop=4e-6 matches the K=1, drop=2e-5 accuracy floor at 3× lower RSS+wall, and dominates K=10 at high accuracy). Callers can still pass tau_add explicitly; the new policy only kicks in when tau_add is omitted and drop_tol > 0. Co-Authored-By: Claude Opus 4.7 --- ppvm-python/src/ppvm/lindblad.py | 26 ++++++++++++++++++++------ 1 file changed, 20 insertions(+), 6 deletions(-) diff --git a/ppvm-python/src/ppvm/lindblad.py b/ppvm-python/src/ppvm/lindblad.py index 5794eb366..6bff73e67 100644 --- a/ppvm-python/src/ppvm/lindblad.py +++ b/ppvm-python/src/ppvm/lindblad.py @@ -229,8 +229,9 @@ def pc_step_arr( basis_arr: np.ndarray, coeffs: np.ndarray, dt: float, - tau_add: float, + tau_add: float | None = None, drop_tol: float = 0.0, + K: float = 5.0, protected_arr: np.ndarray | None = None, expm_tol: float = 1e-12, parallel_threshold: int = 50_000, @@ -244,10 +245,14 @@ def pc_step_arr( with rayon-parallel SpMV when the restricted generator has more than ``parallel_threshold`` nonzeros. - When ``drop_tol > 0``, basis entries whose absolute coefficient is - below ``drop_tol`` after the corrector are pruned from the returned - basis (unless the word is in ``protected_arr``). Useful at γ = 0, - where there is no physical damping of small-coefficient strings. + Tolerances. ``drop_tol`` prunes basis entries whose absolute + coefficient is below this threshold after the corrector (unless + the word is ``protected``). ``tau_add`` is the leakage-rate + threshold for adding new strings. The default policy ties them via + ``tau_add = K * drop_tol / dt`` (with ``K = 5``): the LR-XY + γ=1, L=51 Pareto study showed K≈5 lies on the front, with + ``drop_tol`` the natural accuracy knob. Pass ``tau_add`` explicitly + to override. ``num_threads``, when set, pins this call to a freshly-built rayon pool of that size — useful for benchmarking parallel scaling. @@ -255,6 +260,13 @@ def pc_step_arr( Returns ``(new_basis_arr, new_coeffs)``; the basis may have grown (or shrunk, if ``drop_tol`` pruned entries). """ + if tau_add is None: + if drop_tol <= 0.0: + raise ValueError( + "must provide tau_add explicitly, or drop_tol > 0 " + "(tau_add defaults to K * drop_tol / dt)" + ) + tau_add = K * drop_tol / dt n = self.n_qubits if protected_arr is None: protected_arr = np.zeros((0, n), dtype=np.uint8) @@ -275,8 +287,9 @@ def pc_step( basis: Sequence[str], coeffs: np.ndarray, dt: float, - tau_add: float, + tau_add: float | None = None, drop_tol: float = 0.0, + K: float = 5.0, protected: Sequence[str] | None = None, expm_tol: float = 1e-12, parallel_threshold: int = 50_000, @@ -294,6 +307,7 @@ def pc_step( dt, tau_add, drop_tol, + K, protected_arr, expm_tol, parallel_threshold, From a591310c113db3357e9935301fd0a185555fff23 Mon Sep 17 00:00:00 2001 From: alexschuckert Date: Tue, 9 Jun 2026 21:14:13 +0100 Subject: [PATCH 12/23] feat(ppvm-lindblad): matrix-free pc_step, rk4_step, and memory opts MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit Adds three new code paths plus three memory optimizations on the existing pc_step: - matrix_free flag on pc_step: skip CSR build, do each Krylov-Taylor SpMV by recomputing L*(p) on the fly. New spmv_matrix_free, one_norm_matrix_free, expm_multiply_mf. Trades wall (4× at L=6) for memory (modest at L=6, expected to dominate at L≥10). - rk4_step: classical 4th-order Runge-Kutta on the adjoint Lindbladian, matrix-free, with leakage-driven natural basis growth and post-step drop_tol prune. New compute_action_sum helper. Doc flags the dt < 2.78/||L*|| stability boundary with explicit warning about silent norm-conserving / observable-diverging failure mode. - leakage_with_prune: streaming Cauchy-Schwarz remaining-budget prune. Exact (drops only candidates whose true sum cannot exceed tau_add). Uses new max_action_coef per-operator bound. - pc_step_inner: collapse coeffs_pre + coeffs_pre_padded clones into a single in-place coeffs buffer, saving 2 × n × 8B per step. - ExpmOpts.max_krylov_m: cap on Krylov-Taylor degree m_star. Trades more outer scaling-and-squaring iterations for less Krylov scratch. All four exposed through Python pc_step_arr and rk4_step_arr. Correctness: CSR (new opts) and matrix-free pc_step trajectories are bit-identical (4e-16 max delta over 50 steps at drop=1e-6, L=6). --- crates/ppvm-lindblad/src/expm.rs | 93 +++- crates/ppvm-lindblad/src/lib.rs | 552 ++++++++++++++++++++-- crates/ppvm-python-native/src/lindblad.rs | 63 +++ ppvm-python/src/ppvm/lindblad.py | 58 +++ 4 files changed, 709 insertions(+), 57 deletions(-) diff --git a/crates/ppvm-lindblad/src/expm.rs b/crates/ppvm-lindblad/src/expm.rs index 0138fd4e9..c2eda85ae 100644 --- a/crates/ppvm-lindblad/src/expm.rs +++ b/crates/ppvm-lindblad/src/expm.rs @@ -159,6 +159,14 @@ pub struct ExpmOpts { /// this rayon's task overhead beats cache-friendly serial. Default /// `50_000`. pub parallel_threshold: usize, + /// Maximum Krylov-Taylor degree `m_star` considered by `select_ms`. + /// `None` (default) uses the full table up to `m=30`. Capping at a + /// smaller value (e.g. `Some(10)`) trades wall (more outer + /// scaling-and-squaring `s` steps, so more total matvecs) for + /// instantaneous memory (no `m`-sized stack of vectors held in the + /// matrix-free SpMV's per-thread accumulators). Useful when `n` is + /// large enough that `m × n × 8 B` of Krylov scratch dominates RSS. + pub max_krylov_m: Option, } impl Default for ExpmOpts { @@ -166,13 +174,15 @@ impl Default for ExpmOpts { Self { tol: 1e-12, parallel_threshold: 50_000, + max_krylov_m: None, } } } /// Pick `(m, s)` minimising `s·m` subject to `s ≥ ⌈t_norm / θ_m⌉, s ≥ 1`. /// Restricted to `m ≤ 30`; for larger norms `s` simply grows linearly. -fn select_ms(t_norm: f64) -> (u32, u32) { +/// When `max_m` is set, only entries with `m ≤ max_m` are considered. +fn select_ms(t_norm: f64, max_m: Option) -> (u32, u32) { if t_norm <= 0.0 { return (1, 1); } @@ -180,6 +190,11 @@ fn select_ms(t_norm: f64) -> (u32, u32) { let mut best_s = 1u32; let mut best_cost = u64::MAX; for &(m, theta) in THETA { + if let Some(cap) = max_m { + if m > cap { + continue; + } + } let s_f = (t_norm / theta).ceil(); let s = if s_f >= 1.0 { s_f as u32 } else { 1 }; let cost = (m as u64) * (s as u64); @@ -219,7 +234,7 @@ pub fn expm_multiply(a: &Csr, t: f64, b: &[f64], opts: ExpmOpts) -> Vec { } let t_a_one_norm = t.abs() * csr_one_norm(a); - let (m_star, s) = select_ms(t_a_one_norm); + let (m_star, s) = select_ms(t_a_one_norm, opts.max_krylov_m); let scale = t / s as f64; let mut f = b.to_vec(); @@ -254,6 +269,74 @@ pub fn expm_multiply(a: &Csr, t: f64, b: &[f64], opts: ExpmOpts) -> Vec { f } +/// Matrix-free variant of [`expm_multiply`]. Same Al-Mohy & Higham +/// algorithm, but takes the matrix 1-norm and SpMV operation as +/// arguments instead of a [`Csr`]. +/// +/// `spmv_fn(x, y)` must compute `y ← M · x` where `M` is the linear +/// operator being exponentiated. `one_norm` must be the 1-norm of `M` +/// (`max_j Σ_i |M_{ij}|`); the caller computes it once before the call. +/// +/// Use this when materialising `M` as a [`Csr`] would dominate memory. +/// Trade: every SpMV recomputes the action instead of streaming through +/// pre-stored values, costing more compute per matvec. Wall time is +/// (per-eval cost × `s × m_star`), vs CSR's (build cost + `s × m_star × +/// matvec cost`), so matrix-free is wall-competitive only when CSR +/// matvec is memory-bandwidth-bound (i.e. at large `n`). +pub fn expm_multiply_mf( + n: usize, + one_norm: f64, + spmv_fn: F, + t: f64, + b: &[f64], + opts: ExpmOpts, +) -> Vec +where + F: Fn(&[f64], &mut [f64]), +{ + assert_eq!( + n, + b.len(), + "matrix dimension {} mismatches vector length {}", + n, + b.len() + ); + if n == 0 { + return Vec::new(); + } + + let t_a_one_norm = t.abs() * one_norm; + let (m_star, s) = select_ms(t_a_one_norm, opts.max_krylov_m); + let scale = t / s as f64; + + let mut f = b.to_vec(); + let mut bk = b.to_vec(); + let mut work = vec![0f64; n]; + + for _ in 0..s { + let mut c1 = inf_norm(&bk); + for i in 1..=m_star { + spmv_fn(&bk, &mut work); + let factor = scale / i as f64; + for j in 0..n { + bk[j] = factor * work[j]; + } + for j in 0..n { + f[j] += bk[j]; + } + let c2 = inf_norm(&bk); + let f_norm = inf_norm(&f).max(f64::MIN_POSITIVE); + if c1 + c2 <= opts.tol * f_norm { + break; + } + c1 = c2; + } + bk.copy_from_slice(&f); + } + + f +} + #[cfg(test)] mod tests { use super::*; @@ -385,16 +468,16 @@ mod tests { #[test] fn ms_selection_sane() { // tiny norm → small m, s = 1 - let (m, s) = select_ms(1e-9); + let (m, s) = select_ms(1e-9, None); assert!(m <= 5, "expected small m for tiny norm, got m={m}"); assert_eq!(s, 1); // moderate norm → m·s should be ~10-50 - let (m, s) = select_ms(1.0); + let (m, s) = select_ms(1.0, None); assert!((m * s) <= 50, "moderate norm cost too high: m={m} s={s}"); // large norm → s grows - let (_m, s) = select_ms(100.0); + let (_m, s) = select_ms(100.0, None); assert!(s >= 20, "large norm should require many steps, got s={s}"); } } diff --git a/crates/ppvm-lindblad/src/lib.rs b/crates/ppvm-lindblad/src/lib.rs index 56bed1b62..8aa1a4d3c 100644 --- a/crates/ppvm-lindblad/src/lib.rs +++ b/crates/ppvm-lindblad/src/lib.rs @@ -518,6 +518,44 @@ impl LindbladSpec { self.j_kinds.len() } + /// Conservative upper bound on `max_{p, w} |⟨w| L*(p) |p⟩|`, the + /// largest coefficient any single input Pauli can produce in any + /// single output Pauli through one action of `L*`. Used by + /// [`Self::leakage`] to safely prune candidates whose accumulated + /// partial sum + remaining-contribution budget cannot reach the + /// `tau_add` keep threshold (Cauchy-Schwarz style streaming bound). + /// + /// The bound is `2 · max |h_i|` (commutator factor) plus a per-jump + /// term. For the common case of Hermitian-Pauli H and Hermitian-Pauli + /// jumps this collapses to `2 · max(|h_i|, γ_k)`. + pub fn max_action_coef(&self) -> f64 { + let mut m = 0.0_f64; + for h in &self.h_terms { + // `i [H_i, p]` has coefficient `±2 i · h_i · eps`; magnitude ≤ 2|h_i|. + m = m.max(2.0 * h.coeff.abs()); + } + for jk in &self.j_kinds { + match jk { + JumpKind::HermitianPauli { rate, .. } => { + // sandwich + anticommutator → max |2γ| on anticommuting p + m = m.max(2.0 * rate.abs()); + } + JumpKind::General { + terms, + rate, + dagger_dagger, + } => { + let lam_sum: f64 = terms.iter().map(|t| t.coeff.norm()).sum(); + let dd_sum: f64 = dagger_dagger.iter().map(|t| t.coeff.norm()).sum(); + // Sandwich `γ Σ_{a,b} λ_a* λ_b P_a p P_b`: per-output ≤ γ · (Σ|λ|)² + // L†L anticommutator: per-output ≤ γ · Σ|c_dd| + m = m.max(rate * (lam_sum * lam_sum + dd_sum)); + } + } + } + m + } + /// Apply `L*` to a single Pauli string `p`. Returns the output Pauli /// strings and their real coefficients (zero entries omitted). pub fn action(&self, p: &Word) -> Vec<(Word, f64)> { @@ -535,6 +573,29 @@ impl LindbladSpec { basis: &[Word], coeffs: &[f64], protected: &[Word], + ) -> Result, Error> { + self.leakage_with_prune(basis, coeffs, protected, None) + } + + /// Like [`Self::leakage`], but when `tau_add` is `Some(τ)` runs the + /// streaming Cauchy-Schwarz prune: after each chunk the remaining + /// possible contribution to any not-yet-final candidate is bounded + /// by `max_action_coef × Σ_{i not yet processed} |c_i|`. Entries + /// whose `|partial_sum| + remaining_bound < τ` are dropped. The + /// final keep filter `|sum| ≥ τ` is still applied by the caller. + /// + /// Processing the largest-`|c|` basis indices first shrinks the + /// remaining budget fastest, so the prune kicks in earlier. + /// Memory savings depend on how skewed the `coeffs` distribution + /// is — power-law distributions win the most. Worst case (uniform + /// `|c|`): the bound stays above `τ` until late in the basis, + /// pruning kicks in only near the end, savings approach zero. + pub fn leakage_with_prune( + &self, + basis: &[Word], + coeffs: &[f64], + protected: &[Word], + tau_add: Option, ) -> Result, Error> { if basis.len() != coeffs.len() { return Err(Error::LengthMismatch { @@ -546,31 +607,37 @@ impl LindbladSpec { // Hash-only membership tables: storing 8-byte `u64` keys instead // of 48-byte Words shrinks the in-basis structure ~6×, keeping it // in L3 (and often L2) at basis sizes where the full-Word version - // would spill to DRAM. Each query then costs ~30 ns instead of - // ~500 ns. False-positive risk from a 64-bit hash collision is - // ≈ N/2⁶⁴ per lookup (e.g. ≈ 3·10⁻¹⁴ at N = 5·10⁵); the worst-case - // cost is occasionally dropping a single leakage entry that should - // have been kept, which is negligible against `tau_add` and other - // approximations. + // would spill to DRAM. let in_basis: FxHashMap = basis.iter().map(|w| (word_hash(w), ())).collect(); let protected_set: FxHashMap = protected.iter().map(|w| (word_hash(w), ())).collect(); - // Chunked parallel pass. Materialising the full `Vec>` - // at once held N · A · 24 B bytes simultaneously (~430 MB at L=51 - // LR-XY, N=14 K, A≈1275). Processing in chunks of `CHUNK_SIZE` - // basis rows bounds the in-flight per-Pauli output Vecs to one - // chunk's worth, and merging immediately into `merged` returns - // those bytes to the allocator before the next chunk starts. + // Streaming-prune setup. If `tau_add` is None, fall through to the + // un-pruned path (process basis in original order, no prune). + let (order, mut remaining_budget): (Vec, f64) = if tau_add.is_some() { + let mut idx: Vec = (0..basis.len()).collect(); + // Descending sort by |c|: process largest-magnitude contributors + // first so the Cauchy-Schwarz remaining bound shrinks fast. + idx.sort_by(|&a, &b| { + coeffs[b] + .abs() + .partial_cmp(&coeffs[a].abs()) + .unwrap_or(std::cmp::Ordering::Equal) + }); + let max_coef = self.max_action_coef(); + let total: f64 = coeffs.iter().map(|c| c.abs()).sum(); + (idx, max_coef * total) + } else { + ((0..basis.len()).collect(), f64::INFINITY) + }; + let max_coef = self.max_action_coef(); + let tau = tau_add.unwrap_or(0.0); + const CHUNK_SIZE: usize = 4096; let mut merged: FxHashMap = FxHashMap::default(); - for chunk_start in (0..basis.len()).step_by(CHUNK_SIZE) { - let chunk_end = (chunk_start + CHUNK_SIZE).min(basis.len()); - let chunk_basis = &basis[chunk_start..chunk_end]; - let chunk_coeffs = &coeffs[chunk_start..chunk_end]; - let local: Vec> = chunk_basis + for chunk_indices in order.chunks(CHUNK_SIZE) { + let local: Vec> = chunk_indices .par_iter() - .zip(chunk_coeffs.par_iter()) .map_init( || { ( @@ -582,7 +649,9 @@ impl LindbladSpec { ), ) }, - |(s1, s2, lm), (p, &c)| { + |(s1, s2, lm), &i| { + let p = &basis[i]; + let c = coeffs[i]; let terms = self.compute_action_terms(p, s1, s2, lm); let mut out = Vec::with_capacity(terms.len()); for (w, v) in terms.iter() { @@ -600,6 +669,19 @@ impl LindbladSpec { *merged.entry(k).or_insert(0.0) += val; } } + + if tau_add.is_some() { + // Decrement the remaining-contribution budget by what this + // chunk has now processed. Once `remaining_budget < τ`, + // every entry has `|true_sum| ≤ |partial_sum| + remaining`, + // so we can drop entries with `|partial_sum| < τ − remaining`. + let chunk_abs_sum: f64 = chunk_indices.iter().map(|&i| coeffs[i].abs()).sum(); + remaining_budget = (remaining_budget - max_coef * chunk_abs_sum).max(0.0); + if remaining_budget < tau { + let threshold = tau - remaining_budget; + merged.retain(|_, &mut v| v.abs() >= threshold); + } + } } Ok(merged.into_iter().filter(|(_, c)| *c != 0.0).collect()) } @@ -762,6 +844,320 @@ impl LindbladSpec { .expect("invalid CSR structure") } + /// Matrix-free SpMV: `y ← M · x` where `M` is the in-basis-restricted + /// generator (same matrix that [`Self::generator_csr`] would build, but + /// never materialised). For each basis column `j` with `x[j] != 0`, + /// compute `L*(basis[j])`, look up each output Pauli in `basis_index`, + /// and accumulate `v · x[j]` into `y` at the matching row. + /// + /// `basis_index` must be the `Word → row` map for `basis` (use + /// [`build_basis_index`]). It is the caller's responsibility to build + /// it once and reuse across all SpMVs within an expm call. + /// + /// Threading uses `rayon::current_num_threads()` per-task dense + /// accumulators, reduced into `y` at the end. Peak transient memory is + /// roughly `T × n × 8 B` where `T` = thread count, `n` = basis size. + pub fn spmv_matrix_free( + &self, + basis: &[Word], + basis_index: &FxHashMap, + x: &[f64], + y: &mut [f64], + ) { + debug_assert_eq!(basis.len(), x.len()); + debug_assert_eq!(basis.len(), y.len()); + let n = basis.len(); + if n == 0 { + return; + } + let num_threads = rayon::current_num_threads().max(1); + let chunk_size = n.div_ceil(num_threads); + + let partial_ys: Vec> = basis + .par_chunks(chunk_size) + .enumerate() + .map(|(chunk_idx, chunk)| { + let c_offset = chunk_idx * chunk_size; + let mut y_local = vec![0.0; n]; + let mut s1 = Vec::::with_capacity(self.n_qubits); + let mut s2 = Vec::::with_capacity(128); + let mut lm = FxHashMap::>::with_capacity_and_hasher( + 128, + FxBuildHasher::default(), + ); + for (c_local, p) in chunk.iter().enumerate() { + let c = c_offset + c_local; + let xc = x[c]; + if xc == 0.0 { + continue; + } + let terms = self.compute_action_terms(p, &mut s1, &mut s2, &mut lm); + for (w, v) in terms.iter() { + if let Some(&row) = basis_index.get(w) { + y_local[row as usize] += *v * xc; + } + } + } + y_local + }) + .collect(); + + // Sequential reduce. T × n adds; at T=8, n=10⁶ this is ~8M adds + // (~10 ms), trivial vs the action evaluations above. + y.fill(0.0); + for partial in &partial_ys { + for (yi, &pi) in y.iter_mut().zip(partial.iter()) { + *yi += pi; + } + } + } + + /// Matrix 1-norm `max_j Σ_i |M_{ij}|` of the in-basis-restricted + /// generator, computed matrix-free. Used by [`expm::expm_multiply_mf`] + /// to pick the Taylor `(m, s)` parameters. + pub fn one_norm_matrix_free( + &self, + basis: &[Word], + basis_index: &FxHashMap, + ) -> f64 { + if basis.is_empty() { + return 0.0; + } + basis + .par_iter() + .map_init( + || { + ( + Vec::::with_capacity(self.n_qubits), + Vec::::with_capacity(128), + FxHashMap::>::with_capacity_and_hasher( + 128, + FxBuildHasher::default(), + ), + ) + }, + |(s1, s2, lm), p| { + let terms = self.compute_action_terms(p, s1, s2, lm); + terms + .iter() + .filter(|(w, _)| basis_index.contains_key(w)) + .map(|(_, v)| v.abs()) + .sum::() + }, + ) + .reduce(|| 0.0, f64::max) + } + + /// Apply `L*` to the Pauli sum `Σ_j coeffs[j] · basis[j]` and return + /// the result as a (Word → real coefficient) map. The basis of the + /// returned operator is determined by the action — entries appear + /// for every Pauli that `L*` reaches with nonzero coefficient. + /// + /// Same parallel structure and chunked merge as [`Self::leakage`], + /// without the in-basis / protected filter: this returns the full + /// `L*(O)`, not just its off-basis component. + pub fn compute_action_sum( + &self, + basis: &[Word], + coeffs: &[f64], + ) -> Result, Error> { + if basis.len() != coeffs.len() { + return Err(Error::LengthMismatch { + what: "basis and coeffs", + a: basis.len(), + b: coeffs.len(), + }); + } + const CHUNK_SIZE: usize = 4096; + let mut merged: FxHashMap = FxHashMap::default(); + for chunk_start in (0..basis.len()).step_by(CHUNK_SIZE) { + let chunk_end = (chunk_start + CHUNK_SIZE).min(basis.len()); + let chunk_basis = &basis[chunk_start..chunk_end]; + let chunk_coeffs = &coeffs[chunk_start..chunk_end]; + let local: Vec> = chunk_basis + .par_iter() + .zip(chunk_coeffs.par_iter()) + .map_init( + || { + ( + Vec::::with_capacity(self.n_qubits), + Vec::::with_capacity(128), + FxHashMap::>::with_capacity_and_hasher( + 128, + FxBuildHasher::default(), + ), + ) + }, + |(s1, s2, lm), (p, &c)| { + let terms = self.compute_action_terms(p, s1, s2, lm); + terms.into_iter().map(|(w, v)| (w, c * v)).collect() + }, + ) + .collect(); + for v in local { + for (k, val) in v { + *merged.entry(k).or_insert(0.0) += val; + } + } + } + Ok(merged) + } + + /// One classical RK4 step on `O ← O + dt · L*(O)`, expanding the basis + /// naturally as the action explores new strings. After the step, drops + /// any string whose absolute coefficient is below `drop_tol` (protected + /// words always kept). No predictor-corrector enrichment, no Krylov + /// machinery, no CSR build — just four matrix-free action evaluations + /// followed by a magnitude prune. + /// + /// Per-step local truncation error is `O(dt^5)` from the integrator. + /// **Stability** requires `dt ≤ 2.78 / ‖L*‖` (RK4 absolute-stability + /// boundary). For an n-qubit lattice Hamiltonian with bounded local + /// terms this typically means `dt ≲ O(1) / n`; the dissipator further + /// shrinks the bound at large `γ`. Violating the bound is **not + /// signalled** — the trajectory will norm-conserve but individual Pauli + /// coefficients diverge to oscillating ±large values that cancel; the + /// observable looks fine, the basis still grows, but local quantities + /// like MSD blow up. Always verify against a small in-band + /// truncation case (e.g. against ED, or against [`Self::pc_step`] + /// which is unconditionally stable) before trusting tight-`drop_tol` + /// results at large `dt`. + /// + /// For stiff problems where the stability bound is restrictive, prefer + /// [`Self::pc_step`], which integrates `exp(dt·L*)` via Krylov scaling- + /// and-squaring and is unconditionally stable in `dt`. + /// + /// `num_threads`, when set, runs the entire step inside a freshly built + /// rayon thread pool of that size. + pub fn rk4_step( + &self, + basis: &mut Vec, + coeffs: &mut Vec, + dt: f64, + drop_tol: f64, + protected: &[Word], + num_threads: Option, + ) -> Result<(), Error> { + if let Some(n) = num_threads { + let pool = rayon::ThreadPoolBuilder::new() + .num_threads(n) + .build() + .map_err(|e| Error::Internal(format!("rayon pool build: {e}")))?; + pool.install(|| self.rk4_step_inner(basis, coeffs, dt, drop_tol, protected)) + } else { + self.rk4_step_inner(basis, coeffs, dt, drop_tol, protected) + } + } + + fn rk4_step_inner( + &self, + basis: &mut Vec, + coeffs: &mut Vec, + dt: f64, + drop_tol: f64, + protected: &[Word], + ) -> Result<(), Error> { + // Helper: convert HashMap form back to (Vec, Vec) so we + // can hand it to compute_action_sum, which expects slices. + fn map_to_vecs(m: FxHashMap) -> (Vec, Vec) { + let n = m.len(); + let mut b = Vec::with_capacity(n); + let mut c = Vec::with_capacity(n); + for (w, v) in m { + b.push(w); + c.push(v); + } + (b, c) + } + + // Helper: returns a fresh map representing O + α · K, where O is + // (basis, coeffs) and K is a HashMap. We seed `out` with K (which + // is typically smaller / has different support than O) so the + // .entry() merges are fewer. + fn scale_add( + basis: &[Word], + coeffs: &[f64], + k: &FxHashMap, + alpha: f64, + ) -> FxHashMap { + let mut out: FxHashMap = + FxHashMap::with_capacity_and_hasher(basis.len() + k.len(), FxBuildHasher::default()); + for (p, &c) in basis.iter().zip(coeffs.iter()) { + out.insert(p.clone(), c); + } + for (w, v) in k { + *out.entry(w.clone()).or_insert(0.0) += alpha * v; + } + out + } + + // k1 = L*(O) + let k1 = self.compute_action_sum(basis, coeffs)?; + + // k2 = L*(O + dt/2 · k1) + let (b1, c1) = map_to_vecs(scale_add(basis, coeffs, &k1, dt / 2.0)); + let k2 = self.compute_action_sum(&b1, &c1)?; + drop(b1); + drop(c1); + + // k3 = L*(O + dt/2 · k2) + let (b2, c2) = map_to_vecs(scale_add(basis, coeffs, &k2, dt / 2.0)); + let k3 = self.compute_action_sum(&b2, &c2)?; + drop(b2); + drop(c2); + + // k4 = L*(O + dt · k3) + let (b3, c3) = map_to_vecs(scale_add(basis, coeffs, &k3, dt)); + let k4 = self.compute_action_sum(&b3, &c3)?; + drop(b3); + drop(c3); + + // O_new = O + dt/6 · (k1 + 2 k2 + 2 k3 + k4) + let dt6 = dt / 6.0; + let est_cap = basis.len() + k1.len() + k2.len() + k3.len() + k4.len(); + let mut out_map: FxHashMap = + FxHashMap::with_capacity_and_hasher(est_cap, FxBuildHasher::default()); + for (p, &c) in basis.iter().zip(coeffs.iter()) { + out_map.insert(p.clone(), c); + } + for (w, v) in &k1 { + *out_map.entry(w.clone()).or_insert(0.0) += dt6 * v; + } + for (w, v) in &k2 { + *out_map.entry(w.clone()).or_insert(0.0) += dt6 * 2.0 * v; + } + for (w, v) in &k3 { + *out_map.entry(w.clone()).or_insert(0.0) += dt6 * 2.0 * v; + } + for (w, v) in &k4 { + *out_map.entry(w.clone()).or_insert(0.0) += dt6 * v; + } + drop(k1); + drop(k2); + drop(k3); + drop(k4); + + // Prune below drop_tol; never drop a protected word, even if its + // coefficient happens to land below threshold. + let protected_hashes: FxHashSet = protected.iter().map(word_hash).collect(); + if drop_tol > 0.0 { + out_map.retain(|w, &mut v| { + v.abs() >= drop_tol || protected_hashes.contains(&word_hash(w)) + }); + } + + // Repack into the caller's Vec storage. + basis.clear(); + coeffs.clear(); + basis.reserve(out_map.len()); + coeffs.reserve(out_map.len()); + for (w, v) in out_map { + basis.push(w); + coeffs.push(v); + } + Ok(()) + } + /// Predictor-corrector adaptive step. /// /// Mutates `basis` (may grow) and `coeffs` in place to reflect the @@ -787,6 +1183,13 @@ impl LindbladSpec { /// `num_threads`, when set, runs the entire step inside a freshly built /// rayon thread pool of that size — useful for benchmarking parallel /// scaling. When `None`, the global rayon pool is used. + /// + /// `matrix_free`, when `true`, computes `exp(dt·M)·b` without + /// materialising the in-basis CSR generator: each Krylov-Taylor SpMV + /// re-evaluates `L*(p)` per basis column. Trades wall (more compute + /// per matvec) for memory (no CSR storage). Default `false` keeps the + /// pre-existing CSR path. Useful when the basis is large enough that + /// CSR storage dominates peak RSS — typically at `n_basis ≳ 10⁵`. #[allow(clippy::too_many_arguments)] pub fn pc_step( &self, @@ -798,15 +1201,18 @@ impl LindbladSpec { protected: &[Word], opts: ExpmOpts, num_threads: Option, + matrix_free: bool, ) -> Result<(), Error> { if let Some(n) = num_threads { let pool = rayon::ThreadPoolBuilder::new() .num_threads(n) .build() .map_err(|e| Error::Internal(format!("rayon pool build: {e}")))?; - pool.install(|| self.pc_step_inner(basis, coeffs, dt, tau_add, drop_tol, protected, opts)) + pool.install(|| { + self.pc_step_inner(basis, coeffs, dt, tau_add, drop_tol, protected, opts, matrix_free) + }) } else { - self.pc_step_inner(basis, coeffs, dt, tau_add, drop_tol, protected, opts) + self.pc_step_inner(basis, coeffs, dt, tau_add, drop_tol, protected, opts, matrix_free) } } @@ -825,15 +1231,22 @@ impl LindbladSpec { protected: &[Word], opts: ExpmOpts, num_threads: Option, + matrix_free: bool, ) -> Result { if let Some(n) = num_threads { let pool = rayon::ThreadPoolBuilder::new() .num_threads(n) .build() .map_err(|e| Error::Internal(format!("rayon pool build: {e}")))?; - pool.install(|| self.pc_step_inner_timed(basis, coeffs, dt, tau_add, drop_tol, protected, opts)) + pool.install(|| { + self.pc_step_inner_timed( + basis, coeffs, dt, tau_add, drop_tol, protected, opts, matrix_free, + ) + }) } else { - self.pc_step_inner_timed(basis, coeffs, dt, tau_add, drop_tol, protected, opts) + self.pc_step_inner_timed( + basis, coeffs, dt, tau_add, drop_tol, protected, opts, matrix_free, + ) } } @@ -846,11 +1259,12 @@ impl LindbladSpec { drop_tol: f64, protected: &[Word], opts: ExpmOpts, + matrix_free: bool, ) -> Result { let mut t = PcStepTimings::default(); let t0 = Instant::now(); - let leak = self.leakage(basis, coeffs, protected)?; + let leak = self.leakage_with_prune(basis, coeffs, protected, Some(tau_add))?; t.leakage1_us = t0.elapsed().as_micros() as u64; let t0 = Instant::now(); @@ -862,37 +1276,37 @@ impl LindbladSpec { } t.expand1_us = t0.elapsed().as_micros() as u64; - let coeffs_pre = coeffs.clone(); - - let t0 = Instant::now(); - let csr = self.generator_csr(basis); - t.gencsr1_us = t0.elapsed().as_micros() as u64; - + // Predictor: gencsr1 (or one_norm build for mf) + expm1. + // For matrix-free, the "gencsr" timer captures the one-norm pass. + // `coeffs` is read-only here, so we don't clone it — it serves as + // the pre-step input for the corrector below as well. let t0 = Instant::now(); - let coeffs_predict = expm_multiply(&csr, dt, coeffs, opts); + let coeffs_predict = self.expm_step(basis, dt, coeffs, opts, matrix_free); t.expm1_us = t0.elapsed().as_micros() as u64; + if !matrix_free { + t.gencsr1_us = 0; + } let t0 = Instant::now(); - let leak2 = self.leakage(basis, &coeffs_predict, protected)?; + let leak2 = self.leakage_with_prune(basis, &coeffs_predict, protected, Some(tau_add))?; t.leakage2_us = t0.elapsed().as_micros() as u64; + drop(coeffs_predict); let t0 = Instant::now(); - let mut coeffs_pre_padded = coeffs_pre; for (w, v) in leak2 { if v.abs() > tau_add { basis.push(w); - coeffs_pre_padded.push(0.0); + coeffs.push(0.0); } } t.expand2_us = t0.elapsed().as_micros() as u64; let t0 = Instant::now(); - let csr = self.generator_csr(basis); - t.gencsr2_us = t0.elapsed().as_micros() as u64; - - let t0 = Instant::now(); - *coeffs = expm_multiply(&csr, dt, &coeffs_pre_padded, opts); + *coeffs = self.expm_step(basis, dt, coeffs, opts, matrix_free); t.expm2_us = t0.elapsed().as_micros() as u64; + if !matrix_free { + t.gencsr2_us = 0; + } prune_basis(basis, coeffs, drop_tol, protected); @@ -908,36 +1322,70 @@ impl LindbladSpec { drop_tol: f64, protected: &[Word], opts: ExpmOpts, + matrix_free: bool, ) -> Result<(), Error> { - // 1. First-hop expansion. - let leak = self.leakage(basis, coeffs, protected)?; + // 1. First-hop expansion. After this, `coeffs` contains the pre-step + // coefficients followed by zeros for the newly-added leakage strings. + // We rely on `coeffs` itself as the pre-step buffer for the corrector + // — no `.clone()` is needed because `expm_step` only borrows it. + let leak = self.leakage_with_prune(basis, coeffs, protected, Some(tau_add))?; for (w, v) in leak { if v.abs() > tau_add { basis.push(w); coeffs.push(0.0); } } - // 2. Predictor. - let coeffs_pre = coeffs.clone(); - let csr = self.generator_csr(basis); - let coeffs_predict = expm_multiply(&csr, dt, coeffs, opts); - // 3. Second-hop expansion from the predicted state. - let leak2 = self.leakage(basis, &coeffs_predict, protected)?; - let mut coeffs_pre_padded = coeffs_pre; + // 2. Predictor: `expm_step` reads `coeffs` immutably and returns a + // new owned vector with the predicted state. + let coeffs_predict = self.expm_step(basis, dt, coeffs, opts, matrix_free); + // 3. Second-hop expansion from the predicted state. After leakage2 + // we no longer need `coeffs_predict`. Extend `coeffs` with zeros for + // any newly-added second-hop strings so it remains a valid input + // (pre-step state) for the corrector. + let leak2 = self.leakage_with_prune(basis, &coeffs_predict, protected, Some(tau_add))?; + drop(coeffs_predict); for (w, v) in leak2 { if v.abs() > tau_add { basis.push(w); - coeffs_pre_padded.push(0.0); + coeffs.push(0.0); } } // 4. Corrector: redo from pre-step state on the doubly-enlarged basis. - let csr = self.generator_csr(basis); - *coeffs = expm_multiply(&csr, dt, &coeffs_pre_padded, opts); + *coeffs = self.expm_step(basis, dt, coeffs, opts, matrix_free); // 5. Prune basis entries below `drop_tol` (protected words never dropped). prune_basis(basis, coeffs, drop_tol, protected); Ok(()) } + /// Compute `exp(dt · M) · b` for the in-basis-restricted generator + /// `M`, either by building a CSR (`matrix_free == false`, default) or + /// matrix-free (`matrix_free == true`). Both paths use the same + /// Al-Mohy & Higham scaling-and-squaring algorithm. + fn expm_step( + &self, + basis: &[Word], + dt: f64, + b: &[f64], + opts: ExpmOpts, + matrix_free: bool, + ) -> Vec { + if matrix_free { + let basis_index = build_basis_index(basis); + let one_norm = self.one_norm_matrix_free(basis, &basis_index); + expm::expm_multiply_mf( + basis.len(), + one_norm, + |x, y| self.spmv_matrix_free(basis, &basis_index, x, y), + dt, + b, + opts, + ) + } else { + let csr = self.generator_csr(basis); + expm_multiply(&csr, dt, b, opts) + } + } + /// Compute the unscaled list of `(output, coefficient)` pairs that /// `L*(p)` contributes (without the input coefficient). fn compute_action_terms( @@ -1079,7 +1527,7 @@ fn prune_basis(basis: &mut Vec, coeffs: &mut Vec, drop_tol: f64, prot /// Build a `word → row` map for a basis assumed to contain unique Pauli /// words; debug-asserts the uniqueness invariant. -fn build_basis_index(basis: &[Word]) -> FxHashMap { +pub fn build_basis_index(basis: &[Word]) -> FxHashMap { let mut index: FxHashMap = FxHashMap::default(); for (i, w) in basis.iter().enumerate() { let prev = index.insert(w.clone(), i as u32); diff --git a/crates/ppvm-python-native/src/lindblad.rs b/crates/ppvm-python-native/src/lindblad.rs index bc1a6bd8f..3eb286afa 100644 --- a/crates/ppvm-python-native/src/lindblad.rs +++ b/crates/ppvm-python-native/src/lindblad.rs @@ -210,6 +210,8 @@ impl LindbladSpec { expm_tol = 1e-12, parallel_threshold = 50_000, num_threads = None, + matrix_free = false, + max_krylov_m = None, ))] #[allow(clippy::too_many_arguments)] fn pc_step<'py>( @@ -224,6 +226,8 @@ impl LindbladSpec { expm_tol: f64, parallel_threshold: usize, num_threads: Option, + matrix_free: bool, + max_krylov_m: Option, ) -> PyResult> { let n_q = self.inner.n_qubits(); let basis_view = basis.as_array(); @@ -245,6 +249,7 @@ impl LindbladSpec { let opts = ExpmOpts { tol: expm_tol, parallel_threshold, + max_krylov_m, }; self.inner .pc_step( @@ -256,6 +261,7 @@ impl LindbladSpec { &protected_words, opts, num_threads, + matrix_free, ) .map_err(map_err)?; @@ -273,6 +279,8 @@ impl LindbladSpec { expm_tol = 1e-12, parallel_threshold = 50_000, num_threads = None, + matrix_free = false, + max_krylov_m = None, ))] #[allow(clippy::too_many_arguments)] fn pc_step_timed<'py>( @@ -287,6 +295,8 @@ impl LindbladSpec { expm_tol: f64, parallel_threshold: usize, num_threads: Option, + matrix_free: bool, + max_krylov_m: Option, ) -> PyResult<(PyPauliMap<'py>, Bound<'py, pyo3::types::PyDict>)> { let n_q = self.inner.n_qubits(); let basis_view = basis.as_array(); @@ -308,6 +318,7 @@ impl LindbladSpec { let opts = ExpmOpts { tol: expm_tol, parallel_threshold, + max_krylov_m, }; let timings = self .inner @@ -320,6 +331,7 @@ impl LindbladSpec { &protected_words, opts, num_threads, + matrix_free, ) .map_err(map_err)?; @@ -337,6 +349,57 @@ impl LindbladSpec { Ok((map, d)) } + /// One classical RK4 step on the adjoint Lindbladian. Matrix-free: no + /// CSR, no Krylov, no predictor-corrector enrichment. Four action + /// evaluations per step, basis grows naturally, magnitude-prune at end. + #[pyo3(signature = ( + basis, coeffs, dt, + drop_tol = 0.0, + protected = None, + num_threads = None, + ))] + #[allow(clippy::too_many_arguments)] + fn rk4_step<'py>( + &self, + py: Python<'py>, + basis: PyReadonlyArray2<'py, u8>, + coeffs: PyReadonlyArray1<'py, f64>, + dt: f64, + drop_tol: f64, + protected: Option>, + num_threads: Option, + ) -> PyResult> { + let n_q = self.inner.n_qubits(); + let basis_view = basis.as_array(); + let mut basis_words = decode_basis(&basis_view, n_q)?; + assert_basis_unique(&basis_words)?; + let mut coeffs_vec = coeffs.as_slice()?.to_vec(); + if coeffs_vec.len() != basis_words.len() { + return Err(PyValueError::new_err(format!( + "coeffs has length {} but basis has {} rows", + coeffs_vec.len(), + basis_words.len() + ))); + } + let protected_words: Vec = if let Some(ref p) = protected { + decode_basis(&p.as_array(), n_q)? + } else { + Vec::new() + }; + self.inner + .rk4_step( + &mut basis_words, + &mut coeffs_vec, + dt, + drop_tol, + &protected_words, + num_threads, + ) + .map_err(map_err)?; + let pairs: Vec<(Word, f64)> = basis_words.into_iter().zip(coeffs_vec).collect(); + pack_pauli_map(py, pairs, n_q) + } + /// Sparse generator matrix in COO form: `(rows, cols, vals)`. fn generator<'py>( &self, diff --git a/ppvm-python/src/ppvm/lindblad.py b/ppvm-python/src/ppvm/lindblad.py index 6bff73e67..ffdd94cf7 100644 --- a/ppvm-python/src/ppvm/lindblad.py +++ b/ppvm-python/src/ppvm/lindblad.py @@ -236,6 +236,8 @@ def pc_step_arr( expm_tol: float = 1e-12, parallel_threshold: int = 50_000, num_threads: int | None = None, + matrix_free: bool = False, + max_krylov_m: int | None = None, ) -> tuple[np.ndarray, np.ndarray]: """One predictor-corrector adaptive step. @@ -257,6 +259,20 @@ def pc_step_arr( ``num_threads``, when set, pins this call to a freshly-built rayon pool of that size — useful for benchmarking parallel scaling. + ``matrix_free``, when ``True``, skips the per-step CSR build and + does each Krylov-Taylor SpMV by recomputing ``L*`` on the fly. + Saves ~CSR storage worth of RSS (significant once + ``n_basis ≳ 10⁵``); costs more compute per matvec, so wall is + higher except in the bandwidth-bound regime. Default ``False`` + keeps the CSR path. + + ``max_krylov_m``, when set, caps the Krylov-Taylor degree + ``m_star`` considered by the inner ``select_ms``. ``None`` + (default) uses the full table up to ``m=30``; smaller values + trade more outer scaling-and-squaring iterations (more matvecs) + for less Krylov scratch memory. Mostly relevant at large ``n`` + when ``m × n × 8 B`` of Krylov vectors dominates RSS. + Returns ``(new_basis_arr, new_coeffs)``; the basis may have grown (or shrunk, if ``drop_tol`` pruned entries). """ @@ -280,6 +296,48 @@ def pc_step_arr( float(expm_tol), int(parallel_threshold), None if num_threads is None else int(num_threads), + bool(matrix_free), + None if max_krylov_m is None else int(max_krylov_m), + ) + + def rk4_step_arr( + self, + basis_arr: np.ndarray, + coeffs: np.ndarray, + dt: float, + drop_tol: float = 0.0, + protected_arr: np.ndarray | None = None, + num_threads: int | None = None, + ) -> tuple[np.ndarray, np.ndarray]: + """One classical fourth-order Runge-Kutta step on ``L*``. + + Matrix-free: no CSR build, no Krylov subspace, no predictor- + corrector basis enrichment. Four action evaluations per step; + the basis grows naturally as new strings emerge from each + commutator. After the step, drops any string with + ``|coeff| < drop_tol`` unless it appears in ``protected_arr``. + + Per-step local truncation error is ``O(dt^5)``. + **Stability** requires ``dt ≤ 2.78 / ‖L*‖``. Violating the bound + is silent — the trajectory still norm-conserves, but individual + Pauli coefficients diverge to oscillating ±large values; local + observables (e.g. MSD) blow up. Verify against a stable reference + before trusting tight-``drop_tol`` results at large ``dt``. + + For stiff problems where that bound is restrictive, prefer + :meth:`pc_step_arr`, which integrates ``exp(dt·L*)`` via Krylov + and is unconditionally stable. + """ + n = self.n_qubits + if protected_arr is None: + protected_arr = np.zeros((0, n), dtype=np.uint8) + return self._spec.rk4_step( + np.ascontiguousarray(basis_arr, dtype=np.uint8), + np.ascontiguousarray(coeffs, dtype=np.float64), + float(dt), + float(drop_tol), + np.ascontiguousarray(protected_arr, dtype=np.uint8), + None if num_threads is None else int(num_threads), ) def pc_step( From a8e4dcc453e8f6982dce51c191ec389dc3b0da10 Mon Sep 17 00:00:00 2001 From: David Plankensteiner Date: Wed, 17 Jun 2026 10:24:31 +0200 Subject: [PATCH 13/23] Update Julia version and make sure benchmarks are consistent --- crates/ppvm-runtime/benches/trotter.rs | 2 +- julia-benchmarks/Manifest.toml | 499 ++++++++++++-------- julia-benchmarks/benches/gates.jl | 12 +- julia-benchmarks/benches/random-circuit.jl | 10 +- julia-benchmarks/benches/trotter.jl | 4 +- julia-benchmarks/julia-gates-benchmarks.svg | 82 ++++ julia-benchmarks/xy_ladder_msd.jl | 99 ++++ ppvm-python/demo/trotter_ladder.py | 73 +++ ppvm-python/pyproject.toml | 6 + ppvm-python/test/benchmarks/test_trotter.py | 68 +++ ppvm-python/uv.lock | 24 + 11 files changed, 669 insertions(+), 210 deletions(-) create mode 100644 julia-benchmarks/julia-gates-benchmarks.svg create mode 100644 julia-benchmarks/xy_ladder_msd.jl create mode 100644 ppvm-python/demo/trotter_ladder.py create mode 100644 ppvm-python/test/benchmarks/test_trotter.py diff --git a/crates/ppvm-runtime/benches/trotter.rs b/crates/ppvm-runtime/benches/trotter.rs index 50d75af03..1386a1104 100644 --- a/crates/ppvm-runtime/benches/trotter.rs +++ b/crates/ppvm-runtime/benches/trotter.rs @@ -91,7 +91,7 @@ pub fn benchmark_suite_trotter + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + diff --git a/julia-benchmarks/xy_ladder_msd.jl b/julia-benchmarks/xy_ladder_msd.jl new file mode 100644 index 000000000..87fd0042e --- /dev/null +++ b/julia-benchmarks/xy_ladder_msd.jl @@ -0,0 +1,99 @@ +#!/usr/bin/env julia +# Goal (1): PauliPropagation.jl benchmark — MSD of the 2-leg XY ladder under +# real-space 2nd-order (Strang) Trotter, NO symmetry merging. Mirrors the ppvm +# run in main_realspace_ladder.py (same bonds, Strang structure, localized Z +# seed, |coeff| truncation) so the MSD curves overlay and the runtime/memory +# can be compared head-to-head. +# +# Usage: julia -t 10 xy_ladder_msd.jl [L] [dt] [nsteps] [min_abs_coeff] [max_weight] [out.csv] +# defaults: L=41 dt=0.02 nsteps=100 min_abs_coeff=1e-6 max_weight=0(=off) out=data/g1_pp.csv +# +# Output: CSV with columns t,msd (one row per step). Wall time is reported +# by the NERSC `/usr/bin/time -v` wrapper; we also print it. +# +# Verified locally (PauliPropagation.jl, Julia 1.12) against ppvm at L=5, +# dt=0.02: MSD(t) curves agree to ~1e-9. If the NERSC PauliPropagation version +# differs and the API names (PauliSum / PauliString / PauliRotation / +# propagate / getcoeff) or the `theta` angle convention change, re-run the +# small-L cross-check against main_realspace_ladder.py and adjust. +using PauliPropagation +using Printf + +arg(i, d) = length(ARGS) >= i ? ARGS[i] : d +L = parse(Int, arg(1, "41")) +dt = parse(Float64, arg(2, "0.02")) +nsteps = parse(Int, arg(3, "100")) +mincoeff = parse(Float64, arg(4, "1e-6")) +maxweight = parse(Int, arg(5, "0")) # 0 => no weight cap +outfile = arg(6, "data/g1_pp.csv") + +nlegs = 2 +nq = nlegs * L +j0 = div(L, 2) +site(j, a) = j + a * L + 1 # j∈0:L-1, a∈0:1 -> 1-indexed qubit +chain_coord(q) = (q - 1) % L # chain position of qubit q + +# Brick-wall bond layering (matches ppvm): vertex-disjoint layers so adjacent +# gates within a sweep commute. Degree-3 ladder -> up to 4 layers: even leg- +# bonds, odd leg-bonds, the wrap seam (odd ring isn't 2-edge-colourable), rungs. +legbond(j, a) = (site(j, a), site(mod(j + 1, L), a)) +bonds = Tuple{Int,Int}[] +for a in 0:1, j in 0:2:L-2; push!(bonds, legbond(j, a)); end # even leg bonds +for a in 0:1, j in 1:2:L-2; push!(bonds, legbond(j, a)); end # odd leg bonds +for a in 0:1; push!(bonds, legbond(L - 1, a)); end # wrap seam +for j in 0:L-1; push!(bonds, (site(j, 0), site(j, 1))); end # rungs + +# Second-order (O(dt^3)) per-bond Strang: forward sweep over the bonds then a +# reversed sweep, each bond rxx then ryy. rxx and ryy commute on a bond, so the +# reversed bond order makes the step a palindrome -> O(dt^3). Truncation MATCHES +# ppvm: rxx never drops (min_abs_coeff=0; it creates the hopping intermediate), +# ryy drops at |coeff| 0 ? + propagate([PauliRotation([:Y, :Y], [a, b])], ps, [theta]; min_abs_coeff = D, max_weight = maxweight) : + propagate([PauliRotation([:Y, :Y], [a, b])], ps, [theta]; min_abs_coeff = D) + end + return ps +end + +# localized seed observable O(0) = 0.5 Z_{(j0,0)} + 0.5 Z_{(j0,1)} (Σ a_q = 1) +psum = PauliSum(nq) +add!(psum, PauliString(nq, :Z, site(j0, 0), 0.5)) +add!(psum, PauliString(nq, :Z, site(j0, 1), 0.5)) + +# single-Z target strings for the profile readout +ztargets = [PauliString(nq, :Z, q, 1.0) for q in 1:nq] +# min-image chain displacement from j0, per qubit +dj = [let d = mod(chain_coord(q) - j0, L); d > div(L, 2) ? d - L : d end for q in 1:nq] + +function msd(ps) + num = 0.0; den = 0.0 + for q in 1:nq + c = getcoeff(ps, ztargets[q]) # coefficient of Z_q in the sum + num += dj[q]^2 * c + den += c + end + return num / den +end + +ts = Float64[] +ms = Float64[] +push!(ts, 0.0); push!(ms, msd(psum)) +t0 = time() +for s in 1:nsteps + global psum = trotter_step!(psum, mincoeff) + push!(ts, s * dt); push!(ms, msd(psum)) +end +wall = time() - t0 + +mkpath(dirname(outfile)) +open(outfile, "w") do io + println(io, "t,msd") + for (t, m) in zip(ts, ms); @printf(io, "%.10g,%.10g\n", t, m); end +end +@printf("done -> %s (L=%d, nq=%d, %d steps, wall %.1fs, MSD(T)=%.6g, basis=%d)\n", + outfile, L, nq, nsteps, wall, ms[end], length(psum)) diff --git a/ppvm-python/demo/trotter_ladder.py b/ppvm-python/demo/trotter_ladder.py new file mode 100644 index 000000000..46da81ed3 --- /dev/null +++ b/ppvm-python/demo/trotter_ladder.py @@ -0,0 +1,73 @@ +"""Pedagogical example: Trotter evolution of the XY two-leg ladder with ppvm. + +We track an observable in the Heisenberg picture as a `PauliSum` (a weighted +sum of Pauli strings). Seeding with a localized Z at the centre rung and +applying second-order Trotter steps of the XX+YY ladder Hamiltonian, we read off +the spin profile a_q(t) = each step and reduce it to a +mean-squared displacement (MSD) along the chain — the signature of spin +transport. Truncating tiny coefficients (`min_abs_coeff`) is what keeps the +growing operator tractable. + + python trotter_ladder.py +""" +import numpy as np +from ppvm import PauliSum + +# ── parameters ─────────────────────────────────────────────────────────── +L = 10 # rungs; N = 2L qubits (two legs) +dt = 0.05 # Trotter step +steps = 20 +min_abs_coeff = 1e-4 # drop Pauli terms smaller than this (accuracy knob) + +import sys # optional override for benchmarking: python trotter_ladder.py L dt steps min_abs_coeff +if len(sys.argv) == 5: + L, dt, steps, min_abs_coeff = int(sys.argv[1]), float(sys.argv[2]), int(sys.argv[3]), float(sys.argv[4]) + +N = 2 * L +j0 = L // 2 # seed at the centre rung +site = lambda j, a: j + a * L # qubit index of rung j on leg a (0 or 1) + +# Brick-wall bond layering: group bonds into vertex-disjoint layers so adjacent +# gates within a sweep commute (no within-sweep propagation). The ladder is +# degree-3, so it takes up to 4 layers -- even leg-bonds, odd leg-bonds, the +# wrap-around seam (an odd ring is not 2-edge-colourable), and the rungs. +leg = lambda j, a: (site(j, a), site((j + 1) % L, a)) +bonds = ([leg(j, a) for a in (0, 1) for j in range(0, L - 1, 2)] # even leg bonds + + [leg(j, a) for a in (0, 1) for j in range(1, L - 1, 2)] # odd leg bonds + + [leg(L - 1, a) for a in (0, 1)] # wrap seam + + [(site(j, 0), site(j, 1)) for j in range(L)]) # rungs + +# Observable O(0) = (Z_{j0,0} + Z_{j0,1}) / 2. Σ_q a_q = is conserved. +o = PauliSum.new(N, [(f"Z{site(j0, 0)}", 0.5), (f"Z{site(j0, 1)}", 0.5)], + min_abs_coeff=min_abs_coeff, max_pauli_weight=N) +z_targets = [PauliSum.new(N, f"Z{q}") for q in range(N)] # for the profile readout + + +def trotter_step(): + """One second-order Strang step (O(dt^3)): a forward sweep over the bonds + then a reversed sweep, each bond evolved by rxx(dt) then ryy(dt). rxx and ryy + commute on a bond, so the reversed bond order makes the step a palindrome -> + O(dt^3). rxx is applied WITHOUT truncation and ryy WITH it, on purpose: rxx + turns Z_a into cos(.)Z_a + sin(.)Y_aX_b -- the hopping intermediate -- which + the very next ryy on the SAME bond rotates into Z_b. Dropping terms only + after that pair (never the bare intermediate) keeps the Z-hopping flux + intact, so total Z stays conserved even under aggressive truncation.""" + for a, b in bonds: + o.rxx(a, b, dt, truncate=False); o.ryy(a, b, dt) + for a, b in reversed(bonds): + o.rxx(a, b, dt, truncate=False); o.ryy(a, b, dt) + + +def msd(): + """MSD along the chain: Σ_q (Δj_q)^2 a_q / Σ_q a_q, with a_q = , + Δj the min-image chain displacement from j0 (both legs summed via q % L).""" + a = np.array([o.overlap(z) for z in z_targets]) + dj = ((np.arange(N) % L) - j0 + L // 2) % L - L // 2 + return float((dj**2 * a).sum() / a.sum()) + + +print(" t MSD n_terms") +for n in range(steps + 1): + print(f"{n*dt:5.2f} {msd():8.4f} {len(o):7d}") + if n < steps: + trotter_step() diff --git a/ppvm-python/pyproject.toml b/ppvm-python/pyproject.toml index ee6a96369..228c8aef9 100644 --- a/ppvm-python/pyproject.toml +++ b/ppvm-python/pyproject.toml @@ -44,10 +44,16 @@ extra-paths = ["../crates/ppvm-python-native"] [tool.ty.src] exclude = ["docs/"] +[tool.pytest.ini_options] +# Benchmarks (test/benchmarks/) only time when explicitly enabled via +# --benchmark-enable; otherwise they run once as smoke tests. +addopts = "--benchmark-disable" + [dependency-groups] dev = [ "numpy>=2.2.6", "pytest>=9.0.2", + "pytest-benchmark>=5.2.3", ] doc = [ "griffe-inherited-docstrings>=1.1.1", diff --git a/ppvm-python/test/benchmarks/test_trotter.py b/ppvm-python/test/benchmarks/test_trotter.py new file mode 100644 index 000000000..9034a7db4 --- /dev/null +++ b/ppvm-python/test/benchmarks/test_trotter.py @@ -0,0 +1,68 @@ +"""pytest-benchmark mirror of crates/ppvm-runtime/benches/trotter.rs. + +Same circuit, parameters, truncation and initial observable as the Rust +trotter benchmark, run through the Python ``PauliSum``. Python hard-picks the +IndexMap + FxHash storage variant, so this corresponds to exactly the +``ByteF64FxIndexMap`` Rust config -- a single backend, by design. + +Run the timed benchmark with: + + uv run pytest test/benchmarks/test_trotter.py --benchmark-enable + +Without ``--benchmark-enable`` it runs once as a smoke test (see ``addopts`` in +pyproject.toml). +""" + +import copy + +import pytest + +from ppvm import PauliSum + +# parameters (match trotter.rs) +N_QUBITS = 12 +H = 1.0 +DT = 0.1 / H +TIME = 1.0 / H +J = 1.0 / 8.0 * H +MIN_ABS_COEFF = 1e-6 +# pauli_error([p/4]*3) damps each X/Y/Z coeff by (1-p): the depolarizing +# channel for p = 1e-4, matching DepolarizingNoise(1e-4) in PP.jl. +NOISE = [1e-4 / 4.0] * 3 + +ROUNDS = 200 + + +def build_state(): + # initial observable: sum_i Z_i + terms = [f"Z{i}" for i in range(N_QUBITS)] + return PauliSum.new(N_QUBITS, terms, min_abs_coeff=MIN_ABS_COEFF) + + +def trotter(state): + steps = int(TIME / DT) + theta_zz = DT * J + theta_x = DT * H + # gates default to truncate=True, i.e. truncate after every gate + # application, to stay consistent with the Rust benchmark / PP.jl. + for _ in range(steps): + for i in range(N_QUBITS): + state.rx(i, theta_x) + state.pauli_error(i, NOISE) + for i in range(N_QUBITS - 1): + state.rzz(i, i + 1, theta_zz) + state.pauli_error(i, NOISE) + state.pauli_error(i + 1, NOISE) + + +@pytest.mark.benchmark(group="trotter") +def test_trotter(benchmark): + state = build_state() + # clone a fresh state each round (not timed), mirroring Rust's + # iter_batched_ref(|| state.clone(), ...). + benchmark.pedantic( + trotter, + setup=lambda: ((copy.copy(state),), {}), + iterations=1, + rounds=ROUNDS, + ) diff --git a/ppvm-python/uv.lock b/ppvm-python/uv.lock index 7fd0de56a..70e148818 100644 --- a/ppvm-python/uv.lock +++ b/ppvm-python/uv.lock @@ -3069,6 +3069,7 @@ dependencies = [ dev = [ { name = "numpy" }, { name = "pytest" }, + { name = "pytest-benchmark" }, ] doc = [ { name = "griffe-inherited-docstrings" }, @@ -3093,6 +3094,7 @@ requires-dist = [ dev = [ { name = "numpy", specifier = ">=2.2.6" }, { name = "pytest", specifier = ">=9.0.2" }, + { name = "pytest-benchmark", specifier = ">=5.2.3" }, ] doc = [ { name = "griffe-inherited-docstrings", specifier = ">=1.1.1" }, @@ -3385,6 +3387,15 @@ wheels = [ { url = "https://files.pythonhosted.org/packages/8e/37/efad0257dc6e593a18957422533ff0f87ede7c9c6ea010a2177d738fb82f/pure_eval-0.2.3-py3-none-any.whl", hash = "sha256:1db8e35b67b3d218d818ae653e27f06c3aa420901fa7b081ca98cbedc874e0d0", size = 11842, upload-time = "2024-07-21T12:58:20.04Z" }, ] +[[package]] +name = "py-cpuinfo" +version = "9.0.0" +source = { registry = "https://pypi.org/simple" } +sdist = { url = "https://files.pythonhosted.org/packages/37/a8/d832f7293ebb21690860d2e01d8115e5ff6f2ae8bbdc953f0eb0fa4bd2c7/py-cpuinfo-9.0.0.tar.gz", hash = "sha256:3cdbbf3fac90dc6f118bfd64384f309edeadd902d7c8fb17f02ffa1fc3f49690", size = 104716, upload-time = "2022-10-25T20:38:06.303Z" } +wheels = [ + { url = "https://files.pythonhosted.org/packages/e0/a9/023730ba63db1e494a271cb018dcd361bd2c917ba7004c3e49d5daf795a2/py_cpuinfo-9.0.0-py3-none-any.whl", hash = "sha256:859625bc251f64e21f077d099d4162689c762b5d6a4c3c97553d56241c9674d5", size = 22335, upload-time = "2022-10-25T20:38:27.636Z" }, +] + [[package]] name = "pyasn1" version = "0.6.3" @@ -3682,6 +3693,19 @@ wheels = [ { url = "https://files.pythonhosted.org/packages/d4/24/a372aaf5c9b7208e7112038812994107bc65a84cd00e0354a88c2c77a617/pytest-9.0.3-py3-none-any.whl", hash = "sha256:2c5efc453d45394fdd706ade797c0a81091eccd1d6e4bccfcd476e2b8e0ab5d9", size = 375249, upload-time = "2026-04-07T17:16:16.13Z" }, ] +[[package]] +name = "pytest-benchmark" +version = "5.2.3" +source = { registry = "https://pypi.org/simple" } +dependencies = [ + { name = "py-cpuinfo" }, + { name = "pytest" }, +] +sdist = { url = "https://files.pythonhosted.org/packages/24/34/9f732b76456d64faffbef6232f1f9dbec7a7c4999ff46282fa418bd1af66/pytest_benchmark-5.2.3.tar.gz", hash = "sha256:deb7317998a23c650fd4ff76e1230066a76cb45dcece0aca5607143c619e7779", size = 341340, upload-time = "2025-11-09T18:48:43.215Z" } +wheels = [ + { url = "https://files.pythonhosted.org/packages/33/29/e756e715a48959f1c0045342088d7ca9762a2f509b945f362a316e9412b7/pytest_benchmark-5.2.3-py3-none-any.whl", hash = "sha256:bc839726ad20e99aaa0d11a127445457b4219bdb9e80a1afc4b51da7f96b0803", size = 45255, upload-time = "2025-11-09T18:48:39.765Z" }, +] + [[package]] name = "python-dateutil" version = "2.9.0.post0" From 13aaad4166c31fbfccb7c060bf9705b63818d643 Mon Sep 17 00:00:00 2001 From: David Plankensteiner Date: Wed, 17 Jun 2026 11:51:24 +0200 Subject: [PATCH 14/23] More efficient weight calculation --- crates/ppvm-runtime/Cargo.toml | 4 + crates/ppvm-runtime/benches/trotter.rs | 55 +++--- .../ppvm-runtime/benches/truncation-weight.rs | 169 ++++++++++++++++++ crates/ppvm-runtime/src/loss/data.rs | 8 +- crates/ppvm-runtime/src/word/data.rs | 5 +- crates/ppvm-runtime/src/word/mod.rs | 50 ++++++ julia-benchmarks/benches/truncation-weight.jl | 122 +++++++++++++ 7 files changed, 382 insertions(+), 31 deletions(-) create mode 100644 crates/ppvm-runtime/benches/truncation-weight.rs create mode 100644 julia-benchmarks/benches/truncation-weight.jl diff --git a/crates/ppvm-runtime/Cargo.toml b/crates/ppvm-runtime/Cargo.toml index 5a4072543..3e1cf9cdd 100644 --- a/crates/ppvm-runtime/Cargo.toml +++ b/crates/ppvm-runtime/Cargo.toml @@ -53,3 +53,7 @@ harness = false [[bench]] name = "micro" harness = false + +[[bench]] +name = "truncation-weight" +harness = false diff --git a/crates/ppvm-runtime/benches/trotter.rs b/crates/ppvm-runtime/benches/trotter.rs index 1386a1104..2fbd84be4 100644 --- a/crates/ppvm-runtime/benches/trotter.rs +++ b/crates/ppvm-runtime/benches/trotter.rs @@ -3,10 +3,12 @@ use criterion::{Criterion, criterion_group, criterion_main}; use ppvm_runtime::prelude::*; -use ppvm_runtime::strategy::CoefficientThreshold; +use ppvm_runtime::strategy::{CoefficientThreshold, CombinedStrategy, MaxPauliWeight}; use rayon::current_num_threads; -fn trotter_func>( +fn trotter_func< + T: Config>, +>( state: &mut PauliSum, n: usize, total_time: &f64, @@ -43,7 +45,9 @@ fn trotter_func>( } } -pub fn benchmark_suite_trotter>( +pub fn benchmark_suite_trotter< + T: Config>, +>( c: &mut Criterion, name: impl AsRef, ) { @@ -56,7 +60,8 @@ pub fn benchmark_suite_trotter = PauliSum::builder() .n_qubits(n_qubits) .strategy(strat) @@ -95,30 +100,24 @@ pub fn trotter_benchmarks(c: &mut Criterion) { .build_global() .unwrap(); println!("Using {} threads", current_num_threads()); - benchmark_suite_trotter::>( - c, - "ByteF64GxHashMap<2, CoefficientThreshold>", - ); - benchmark_suite_trotter::>( - c, - "ByteF64FxHashMap<2, CoefficientThreshold>", - ); - benchmark_suite_trotter::>( - c, - "ByteF64FxDashMap<2, CoefficientThreshold>", - ); - benchmark_suite_trotter::>( - c, - "ByteF64GxDashMap<2, CoefficientThreshold>", - ); - benchmark_suite_trotter::>( - c, - "ByteF64FxIndexMap<2, CoefficientThreshold>", - ); - benchmark_suite_trotter::>( - c, - "ByteF64GxIndexMap<2, CoefficientThreshold>", - ); + benchmark_suite_trotter::< + config::gxhash::ByteF64<2, CombinedStrategy>, + >(c, "ByteF64GxHashMap<2, CoefficientThreshold>"); + benchmark_suite_trotter::< + config::fxhash::ByteF64<2, CombinedStrategy>, + >(c, "ByteF64FxHashMap<2, CoefficientThreshold>"); + benchmark_suite_trotter::< + config::dashmap::ByteFxHashF64<2, CombinedStrategy>, + >(c, "ByteF64FxDashMap<2, CoefficientThreshold>"); + benchmark_suite_trotter::< + config::dashmap::ByteGxHashF64<2, CombinedStrategy>, + >(c, "ByteF64GxDashMap<2, CoefficientThreshold>"); + benchmark_suite_trotter::< + config::indexmap::ByteFxHashF64<2, CombinedStrategy>, + >(c, "ByteF64FxIndexMap<2, CoefficientThreshold>"); + benchmark_suite_trotter::< + config::indexmap::ByteGxHashF64<2, CombinedStrategy>, + >(c, "ByteF64GxIndexMap<2, CoefficientThreshold>"); } criterion_group!(benches, trotter_benchmarks); diff --git a/crates/ppvm-runtime/benches/truncation-weight.rs b/crates/ppvm-runtime/benches/truncation-weight.rs new file mode 100644 index 000000000..b93e074b1 --- /dev/null +++ b/crates/ppvm-runtime/benches/truncation-weight.rs @@ -0,0 +1,169 @@ +// SPDX-FileCopyrightText: 2026 The PPVM Authors +// SPDX-License-Identifier: Apache-2.0 + +//! Micro-benchmark for the cost of `MaxPauliWeight` truncation on a +//! pre-built `PauliSum`. Compares three strategies: +//! - `MaxPauliWeight(w)` alone (single retain pass, weight check only) +//! - `CoefficientThreshold(eps)` alone (single retain pass, coeff check only) +//! - `CombinedStrategy(threshold, weight)` (two sequential retain passes) +//! +//! Mirrored on the Julia side by +//! `julia-benchmarks/benches/truncation-weight.jl`, which uses +//! PauliPropagation.jl's `truncate!` — a *single* walk with a combined +//! predicate. The point of comparison is the two-passes-vs-one structural +//! difference between Rust's `CombinedStrategy` and PP.jl's `truncate!`. + +use std::time::Duration; + +use criterion::{Criterion, criterion_group, criterion_main}; +use ppvm_runtime::config::fxhash::ByteF64; +use ppvm_runtime::prelude::*; +use ppvm_runtime::strategy::{CoefficientThreshold, CombinedStrategy, MaxPauliWeight}; + +const N_QUBITS: usize = 128; +const N: usize = 16; +const N_TERMS: usize = 1000; +const COEFF_EPS: f64 = 1e-12; + +type Word = as Config>::PauliWordType; + +fn configure() -> Criterion { + Criterion::default() + .warm_up_time(Duration::from_secs(1)) + .measurement_time(Duration::from_secs(3)) + .sample_size(50) +} + +/// Build `N_TERMS` Pauli terms each with exactly `target_weight` +/// non-identity slots (clamped to `N_QUBITS`). Positions are spread by +/// stride to fit `target_weight` distinct slots; Pauli choices depend +/// on `k` so terms are mostly distinct. +fn make_terms(target_weight: usize) -> Vec<(Word, f64)> { + let paulis = [Pauli::X, Pauli::Y, Pauli::Z]; + let weight = target_weight.min(N_QUBITS); + let stride = (N_QUBITS / weight.max(1)).max(1); + let mut terms = Vec::with_capacity(N_TERMS); + for k in 0..N_TERMS { + let mut word = Word::new(N_QUBITS); + for w in 0..weight { + let pos = (k + w * stride) % N_QUBITS; + word.set(pos, paulis[(k.wrapping_mul(31) + w) % 3]); + } + terms.push((word, 1.0 / (k as f64 + 1.0))); + } + terms +} + +fn build_state(strat: St, terms: &[(Word, f64)]) -> PauliSum> +where + St: Strategy + Copy, +{ + let mut state: PauliSum> = PauliSum::builder() + .n_qubits(N_QUBITS) + .capacity(terms.len() * 2) + .strategy(strat) + .build(); + for (w, c) in terms { + state += (w.clone(), *c); + } + state +} + +const PROFILES: &[(&str, usize)] = &[ + ("w3", 3), + ("w50", 50), + ("w120", 120), +]; + +const CUTOFFS: &[(&str, usize)] = &[ + ("10", 10), + ("100", 100), + ("1000", 1000), + ("max", usize::MAX), +]; + +fn bench_max_weight_alone(c: &mut Criterion) { + let mut group = c.benchmark_group("max-weight-only"); + for &(profile, weight) in PROFILES { + let terms = make_terms(weight); + for &(cutoff_name, cutoff) in CUTOFFS { + let state = build_state(MaxPauliWeight(cutoff), &terms); + println!( + "[max-weight-only/{profile}/cut-{cutoff_name}] state.len()={}", + state.len() + ); + group.bench_function(format!("{profile}/cut-{cutoff_name}"), |b| { + b.iter_batched_ref( + || state.clone(), + |s| s.truncate(), + criterion::BatchSize::SmallInput, + ); + }); + } + } + group.finish(); +} + +fn bench_coeff_threshold_alone(c: &mut Criterion) { + let mut group = c.benchmark_group("coeff-threshold-only"); + for &(profile, weight) in PROFILES { + let terms = make_terms(weight); + let state = build_state(CoefficientThreshold(COEFF_EPS), &terms); + println!( + "[coeff-threshold-only/{profile}] state.len()={}", + state.len() + ); + group.bench_function(profile, |b| { + b.iter_batched_ref( + || state.clone(), + |s| s.truncate(), + criterion::BatchSize::SmallInput, + ); + }); + } + group.finish(); +} + +fn bench_combined(c: &mut Criterion) { + let mut group = c.benchmark_group("combined"); + for &(profile, weight) in PROFILES { + let terms = make_terms(weight); + for &(cutoff_name, cutoff) in CUTOFFS { + let strat = CombinedStrategy(CoefficientThreshold(COEFF_EPS), MaxPauliWeight(cutoff)); + let state = build_state(strat, &terms); + group.bench_function(format!("{profile}/cut-{cutoff_name}"), |b| { + b.iter_batched_ref( + || state.clone(), + |s| s.truncate(), + criterion::BatchSize::SmallInput, + ); + }); + } + } + group.finish(); +} + +/// Clone-only baseline so the user can subtract it from the truncate +/// numbers if desired. `iter_batched_ref` excludes setup time, so this +/// shouldn't be necessary — but worth confirming. +fn bench_clone_baseline(c: &mut Criterion) { + let mut group = c.benchmark_group("clone-baseline"); + for &(profile, weight) in PROFILES { + let terms = make_terms(weight); + let state = build_state(NoStrategy, &terms); + group.bench_function(profile, |b| { + b.iter(|| state.clone()); + }); + } + group.finish(); +} + +criterion_group! { + name = benches; + config = configure(); + targets = bench_max_weight_alone, + bench_coeff_threshold_alone, + bench_combined, + bench_clone_baseline +} +criterion_main!(benches); diff --git a/crates/ppvm-runtime/src/loss/data.rs b/crates/ppvm-runtime/src/loss/data.rs index e1c2615ac..8cb09e864 100644 --- a/crates/ppvm-runtime/src/loss/data.rs +++ b/crates/ppvm-runtime/src/loss/data.rs @@ -132,11 +132,15 @@ impl PauliWordTrait for Lossy } fn weight(&self) -> usize { - (self.xbits | self.zbits | self.lbits).count_ones() + crate::word::or_popcount([ + bytemuck::bytes_of(&self.xbits.data), + bytemuck::bytes_of(&self.zbits.data), + bytemuck::bytes_of(&self.lbits.data), + ]) } fn loss_weight(&self) -> usize { - self.lbits.count_ones() + crate::word::or_popcount([bytemuck::bytes_of(&self.lbits.data)]) } fn rehash(&mut self) { diff --git a/crates/ppvm-runtime/src/word/data.rs b/crates/ppvm-runtime/src/word/data.rs index 477ecfe9c..738572714 100644 --- a/crates/ppvm-runtime/src/word/data.rs +++ b/crates/ppvm-runtime/src/word/data.rs @@ -145,7 +145,10 @@ impl Paul } fn weight(&self) -> usize { - (self.xbits | self.zbits).count_ones() + super::or_popcount([ + bytemuck::bytes_of(&self.xbits.data), + bytemuck::bytes_of(&self.zbits.data), + ]) } fn rehash(&mut self) { diff --git a/crates/ppvm-runtime/src/word/mod.rs b/crates/ppvm-runtime/src/word/mod.rs index 483bce296..bc8877146 100644 --- a/crates/ppvm-runtime/src/word/mod.rs +++ b/crates/ppvm-runtime/src/word/mod.rs @@ -7,3 +7,53 @@ mod mul; mod trace; pub use data::PauliWord; + +/// Bitwise-OR of `K` equal-length byte slices, popcounted as a single +/// total. Used by `PauliWord::weight`, `LossyPauliWord::weight`, and +/// `LossyPauliWord::loss_weight` to bypass `bitvec`'s `Domain` / +/// per-element abstractions, which block LLVM from inlining the native +/// popcount. +/// +/// Slices are processed in u64 / u32 / u16 / u8 chunks; all branches +/// const-fold at each call site once `K` and slice length are known +/// after monomorphisation. +#[inline] +pub(crate) fn or_popcount(parts: [&[u8]; K]) -> usize { + let n = parts[0].len(); + let mut total: u32 = 0; + let mut i = 0usize; + + while i + 8 <= n { + let mut acc: u64 = 0; + for p in parts.iter() { + acc |= u64::from_ne_bytes(p[i..i + 8].try_into().unwrap()); + } + total += acc.count_ones(); + i += 8; + } + if i + 4 <= n { + let mut acc: u32 = 0; + for p in parts.iter() { + acc |= u32::from_ne_bytes(p[i..i + 4].try_into().unwrap()); + } + total += acc.count_ones(); + i += 4; + } + if i + 2 <= n { + let mut acc: u16 = 0; + for p in parts.iter() { + acc |= u16::from_ne_bytes(p[i..i + 2].try_into().unwrap()); + } + total += acc.count_ones(); + i += 2; + } + if i < n { + let mut acc: u8 = 0; + for p in parts.iter() { + acc |= p[i]; + } + total += acc.count_ones(); + } + + total as usize +} diff --git a/julia-benchmarks/benches/truncation-weight.jl b/julia-benchmarks/benches/truncation-weight.jl new file mode 100644 index 000000000..a92f6ff5c --- /dev/null +++ b/julia-benchmarks/benches/truncation-weight.jl @@ -0,0 +1,122 @@ +# SPDX-FileCopyrightText: 2026 The PPVM Authors +# SPDX-License-Identifier: Apache-2.0 +# +# Mirror of crates/ppvm-runtime/benches/truncation-weight.rs. +# Measures PauliPropagation.jl's truncate! over the same parameter grid: +# - 3 term-weight profiles (3, 50, 120) +# - 4 weight cutoffs (10, 100, 1000, Inf) +# - 1000 terms on 128 qubits +# +# PP.jl's truncate! always builds a single closure combining min_abs_coeff +# and max_weight checks, then walks the dictionary once. To approximate the +# Rust "single-strategy" benches we set the other threshold to a sentinel +# value that never trips. + +using PauliPropagation +using BenchmarkTools + +const N_QUBITS = 128 +const N_TERMS = 1_000 +const COEFF_EPS = 1e-12 + +const PROFILES = [ + ("w3", 3), + ("w50", 50), + ("w120", 120), +] + +const CUTOFFS = [ + ("10", 10.0), + ("100", 100.0), + ("1000", 1000.0), + ("inf", Inf), +] + +const PAULI_SYMS = [:X, :Y, :Z] + +# Build N_TERMS PauliStrings each with exactly target_weight non-identity +# slots (clamped to N_QUBITS), spread by stride. Pauli choices depend on k +# so terms are mostly distinct. Matches make_terms() in the Rust mirror. +function make_psum(target_weight) + weight = min(target_weight, N_QUBITS) + stride = max(div(N_QUBITS, max(weight, 1)), 1) + psum = PauliSum(N_QUBITS) + for k in 0:(N_TERMS - 1) + positions = Int[] + symbols = Symbol[] + for w in 0:(weight - 1) + push!(positions, mod(k + w * stride, N_QUBITS) + 1) # 1-indexed + push!(symbols, PAULI_SYMS[mod(k * 31 + w, 3) + 1]) + end + coeff = 1.0 / (k + 1) + add!(psum, PauliString(N_QUBITS, symbols, positions, coeff)) + end + return psum +end + +function bench_max_weight_alone() + println("\n=== max-weight-only (min_abs_coeff = 0, never trips) ===") + results = Dict{String, Any}() + for (profile, weight) in PROFILES + psum = make_psum(weight) + println("[$profile] psum has $(length(psum)) terms") + for (cutoff_name, cutoff) in CUTOFFS + id = "$profile/cut-$cutoff_name" + t = @benchmark PauliPropagation.truncate!(state; + min_abs_coeff = 0.0, max_weight = $cutoff) setup = (state = deepcopy($psum)) samples=200 + results[id] = t + println(" $id: median = $(median(t).time) ns") + end + end + return results +end + +function bench_coeff_threshold_alone() + println("\n=== coeff-threshold-only (max_weight = Inf, never trips) ===") + results = Dict{String, Any}() + for (profile, weight) in PROFILES + psum = make_psum(weight) + id = profile + t = @benchmark PauliPropagation.truncate!(state; + min_abs_coeff = $COEFF_EPS, max_weight = Inf) setup = (state = deepcopy($psum)) samples=200 + results[id] = t + println(" $id: median = $(median(t).time) ns") + end + return results +end + +function bench_combined() + println("\n=== combined (both checks active, matches Rust CombinedStrategy) ===") + results = Dict{String, Any}() + for (profile, weight) in PROFILES + psum = make_psum(weight) + for (cutoff_name, cutoff) in CUTOFFS + id = "$profile/cut-$cutoff_name" + t = @benchmark PauliPropagation.truncate!(state; + min_abs_coeff = $COEFF_EPS, max_weight = $cutoff) setup = (state = deepcopy($psum)) samples=200 + results[id] = t + println(" $id: median = $(median(t).time) ns") + end + end + return results +end + +function bench_clone_baseline() + println("\n=== clone (deepcopy) baseline ===") + results = Dict{String, Any}() + for (profile, weight) in PROFILES + psum = make_psum(weight) + t = @benchmark deepcopy($psum) samples=200 + results[profile] = t + println(" $profile: median = $(median(t).time) ns") + end + return results +end + +println("Using $(Threads.nthreads()) threads") +println("N_QUBITS = $N_QUBITS, N_TERMS = $N_TERMS") + +bench_max_weight_alone() +bench_coeff_threshold_alone() +bench_combined() +bench_clone_baseline() From 1a67b31415ca75f870f17ac3a853bf0ac16266a4 Mon Sep 17 00:00:00 2001 From: David Plankensteiner Date: Wed, 17 Jun 2026 12:17:47 +0200 Subject: [PATCH 15/23] Inline cutoff --- crates/ppvm-runtime/src/traits/coefficient.rs | 2 ++ ppvm-python/demo/{stim.py => stim_demo.py} | 0 2 files changed, 2 insertions(+) rename ppvm-python/demo/{stim.py => stim_demo.py} (100%) diff --git a/crates/ppvm-runtime/src/traits/coefficient.rs b/crates/ppvm-runtime/src/traits/coefficient.rs index f2a836d11..3128f3eda 100644 --- a/crates/ppvm-runtime/src/traits/coefficient.rs +++ b/crates/ppvm-runtime/src/traits/coefficient.rs @@ -56,6 +56,7 @@ impl Coefficient for f64 { Float::sin_cos(*self) } + #[inline] fn cutoff(&self, threshold: f64) -> bool { self.abs() < threshold } @@ -76,6 +77,7 @@ pub trait ComplexCoefficient: Coefficient { } impl Coefficient for num::complex::Complex { + #[inline] fn cutoff(&self, threshold: f64) -> bool { self.norm() < threshold } diff --git a/ppvm-python/demo/stim.py b/ppvm-python/demo/stim_demo.py similarity index 100% rename from ppvm-python/demo/stim.py rename to ppvm-python/demo/stim_demo.py From 1a2b8f80d6838f801fabb7107ef05c292aa9a2c7 Mon Sep 17 00:00:00 2001 From: David Plankensteiner Date: Wed, 17 Jun 2026 12:36:20 +0200 Subject: [PATCH 16/23] Hard-code weight to avoid slicing overhead --- crates/ppvm-runtime/src/loss/data.rs | 68 +++++++++++++++++++++++++--- crates/ppvm-runtime/src/word/data.rs | 36 +++++++++++++-- crates/ppvm-runtime/src/word/mod.rs | 50 -------------------- 3 files changed, 94 insertions(+), 60 deletions(-) diff --git a/crates/ppvm-runtime/src/loss/data.rs b/crates/ppvm-runtime/src/loss/data.rs index 8cb09e864..884f6b010 100644 --- a/crates/ppvm-runtime/src/loss/data.rs +++ b/crates/ppvm-runtime/src/loss/data.rs @@ -131,16 +131,72 @@ impl PauliWordTrait for Lossy self.zbits.set(index, value); } + #[inline] fn weight(&self) -> usize { - crate::word::or_popcount([ - bytemuck::bytes_of(&self.xbits.data), - bytemuck::bytes_of(&self.zbits.data), - bytemuck::bytes_of(&self.lbits.data), - ]) + let xs: &[u8] = bytemuck::bytes_of(&self.xbits.data); + let zs: &[u8] = bytemuck::bytes_of(&self.zbits.data); + let ls: &[u8] = bytemuck::bytes_of(&self.lbits.data); + debug_assert_eq!(xs.len(), zs.len()); + debug_assert_eq!(xs.len(), ls.len()); + + let mut total: u32 = 0; + let (mut i, n) = (0usize, xs.len()); + + while i + 8 <= n { + let x = u64::from_ne_bytes(xs[i..i + 8].try_into().unwrap()); + let z = u64::from_ne_bytes(zs[i..i + 8].try_into().unwrap()); + let l = u64::from_ne_bytes(ls[i..i + 8].try_into().unwrap()); + total += (x | z | l).count_ones(); + i += 8; + } + if i + 4 <= n { + let x = u32::from_ne_bytes(xs[i..i + 4].try_into().unwrap()); + let z = u32::from_ne_bytes(zs[i..i + 4].try_into().unwrap()); + let l = u32::from_ne_bytes(ls[i..i + 4].try_into().unwrap()); + total += (x | z | l).count_ones(); + i += 4; + } + if i + 2 <= n { + let x = u16::from_ne_bytes(xs[i..i + 2].try_into().unwrap()); + let z = u16::from_ne_bytes(zs[i..i + 2].try_into().unwrap()); + let l = u16::from_ne_bytes(ls[i..i + 2].try_into().unwrap()); + total += (x | z | l).count_ones(); + i += 2; + } + if i < n { + total += (xs[i] | zs[i] | ls[i]).count_ones(); + } + + total as usize } + #[inline] fn loss_weight(&self) -> usize { - crate::word::or_popcount([bytemuck::bytes_of(&self.lbits.data)]) + let ls: &[u8] = bytemuck::bytes_of(&self.lbits.data); + + let mut total: u32 = 0; + let (mut i, n) = (0usize, ls.len()); + + while i + 8 <= n { + let l = u64::from_ne_bytes(ls[i..i + 8].try_into().unwrap()); + total += l.count_ones(); + i += 8; + } + if i + 4 <= n { + let l = u32::from_ne_bytes(ls[i..i + 4].try_into().unwrap()); + total += l.count_ones(); + i += 4; + } + if i + 2 <= n { + let l = u16::from_ne_bytes(ls[i..i + 2].try_into().unwrap()); + total += l.count_ones(); + i += 2; + } + if i < n { + total += ls[i].count_ones(); + } + + total as usize } fn rehash(&mut self) { diff --git a/crates/ppvm-runtime/src/word/data.rs b/crates/ppvm-runtime/src/word/data.rs index 738572714..4b5295108 100644 --- a/crates/ppvm-runtime/src/word/data.rs +++ b/crates/ppvm-runtime/src/word/data.rs @@ -144,11 +144,39 @@ impl Paul self.zbits.set(index, value); } + #[inline] fn weight(&self) -> usize { - super::or_popcount([ - bytemuck::bytes_of(&self.xbits.data), - bytemuck::bytes_of(&self.zbits.data), - ]) + let xs: &[u8] = bytemuck::bytes_of(&self.xbits.data); + let zs: &[u8] = bytemuck::bytes_of(&self.zbits.data); + debug_assert_eq!(xs.len(), zs.len()); + + let mut total: u32 = 0; + let (mut i, n) = (0usize, xs.len()); + + // u64 chunks — one popcnt per chunk (x86 +popcnt; AArch64 CNT+ADDV). + while i + 8 <= n { + let x = u64::from_ne_bytes(xs[i..i + 8].try_into().unwrap()); + let z = u64::from_ne_bytes(zs[i..i + 8].try_into().unwrap()); + total += (x | z).count_ones(); + i += 8; + } + if i + 4 <= n { + let x = u32::from_ne_bytes(xs[i..i + 4].try_into().unwrap()); + let z = u32::from_ne_bytes(zs[i..i + 4].try_into().unwrap()); + total += (x | z).count_ones(); + i += 4; + } + if i + 2 <= n { + let x = u16::from_ne_bytes(xs[i..i + 2].try_into().unwrap()); + let z = u16::from_ne_bytes(zs[i..i + 2].try_into().unwrap()); + total += (x | z).count_ones(); + i += 2; + } + if i < n { + total += (xs[i] | zs[i]).count_ones(); + } + + total as usize } fn rehash(&mut self) { diff --git a/crates/ppvm-runtime/src/word/mod.rs b/crates/ppvm-runtime/src/word/mod.rs index bc8877146..483bce296 100644 --- a/crates/ppvm-runtime/src/word/mod.rs +++ b/crates/ppvm-runtime/src/word/mod.rs @@ -7,53 +7,3 @@ mod mul; mod trace; pub use data::PauliWord; - -/// Bitwise-OR of `K` equal-length byte slices, popcounted as a single -/// total. Used by `PauliWord::weight`, `LossyPauliWord::weight`, and -/// `LossyPauliWord::loss_weight` to bypass `bitvec`'s `Domain` / -/// per-element abstractions, which block LLVM from inlining the native -/// popcount. -/// -/// Slices are processed in u64 / u32 / u16 / u8 chunks; all branches -/// const-fold at each call site once `K` and slice length are known -/// after monomorphisation. -#[inline] -pub(crate) fn or_popcount(parts: [&[u8]; K]) -> usize { - let n = parts[0].len(); - let mut total: u32 = 0; - let mut i = 0usize; - - while i + 8 <= n { - let mut acc: u64 = 0; - for p in parts.iter() { - acc |= u64::from_ne_bytes(p[i..i + 8].try_into().unwrap()); - } - total += acc.count_ones(); - i += 8; - } - if i + 4 <= n { - let mut acc: u32 = 0; - for p in parts.iter() { - acc |= u32::from_ne_bytes(p[i..i + 4].try_into().unwrap()); - } - total += acc.count_ones(); - i += 4; - } - if i + 2 <= n { - let mut acc: u16 = 0; - for p in parts.iter() { - acc |= u16::from_ne_bytes(p[i..i + 2].try_into().unwrap()); - } - total += acc.count_ones(); - i += 2; - } - if i < n { - let mut acc: u8 = 0; - for p in parts.iter() { - acc |= p[i]; - } - total += acc.count_ones(); - } - - total as usize -} From 8ea602f42350a2b7ca3f213ee09d45914fe1daed Mon Sep 17 00:00:00 2001 From: David Plankensteiner Date: Wed, 17 Jun 2026 12:45:49 +0200 Subject: [PATCH 17/23] Add an early return for max_weight == usize::MAX --- crates/ppvm-runtime/src/strategy.rs | 13 +++++++++++++ 1 file changed, 13 insertions(+) diff --git a/crates/ppvm-runtime/src/strategy.rs b/crates/ppvm-runtime/src/strategy.rs index a5804249d..087c1a80d 100644 --- a/crates/ppvm-runtime/src/strategy.rs +++ b/crates/ppvm-runtime/src/strategy.rs @@ -78,6 +78,14 @@ impl Strategy for MaxPauliWeight { W: PauliWordTrait, M: ACMap, { + // `usize::MAX` is the conventional "disabled" sentinel (matches + // `Default::default()`). Skip the retain pass entirely — saves a + // full bucket walk per `truncate()` call when callers (e.g. the + // Python binding) pass `MaxPauliWeight(usize::MAX)` to opt out + // of weight truncation without changing the strategy type. + if self.0 == usize::MAX { + return; + } map.retain(|k, _| k.weight() <= self.max_weight()); } } @@ -152,6 +160,11 @@ impl Strategy for MaxLossWeight { M: ACMap, W: PauliWordTrait, { + // Skip the retain pass when callers pass `usize::MAX` to opt out + // of loss-weight truncation without changing the strategy type. + if self.0 == usize::MAX { + return; + } map.retain(|k, _| k.loss_weight() <= self.0); } } From 00722560c0a482e731a1e57e1e67b6e9f55c7bf0 Mon Sep 17 00:00:00 2001 From: David Plankensteiner Date: Wed, 17 Jun 2026 13:06:52 +0200 Subject: [PATCH 18/23] Remove svg --- julia-benchmarks/julia-gates-benchmarks.svg | 82 --------------------- 1 file changed, 82 deletions(-) delete mode 100644 julia-benchmarks/julia-gates-benchmarks.svg diff --git a/julia-benchmarks/julia-gates-benchmarks.svg b/julia-benchmarks/julia-gates-benchmarks.svg deleted file mode 100644 index b85d54ea3..000000000 --- a/julia-benchmarks/julia-gates-benchmarks.svg +++ /dev/null @@ -1,82 +0,0 @@ - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - From b2e06c9496dad749c6343321788e918d58933ba1 Mon Sep 17 00:00:00 2001 From: alexschuckert Date: Wed, 17 Jun 2026 15:31:42 +0100 Subject: [PATCH 19/23] fix(ppvm-lindblad): set max_krylov_m in ExpmOpts test constructors The expm serial/parallel SpMV parity test built `ExpmOpts { tol, parallel_threshold }` without the `max_krylov_m` field, so `cargo test` failed to compile the ppvm-lindblad test target (pre-existing on lindblad-shim, surfaced when running the full suite after merging #126). The whole Rust workspace test suite now passes. Co-Authored-By: Claude Opus 4.8 (1M context) --- crates/ppvm-lindblad/src/expm.rs | 2 ++ 1 file changed, 2 insertions(+) diff --git a/crates/ppvm-lindblad/src/expm.rs b/crates/ppvm-lindblad/src/expm.rs index c2eda85ae..24ed32e89 100644 --- a/crates/ppvm-lindblad/src/expm.rs +++ b/crates/ppvm-lindblad/src/expm.rs @@ -449,6 +449,7 @@ mod tests { ExpmOpts { tol: 1e-14, parallel_threshold: usize::MAX, + max_krylov_m: None, }, ); let r_parallel = expm_multiply( @@ -458,6 +459,7 @@ mod tests { ExpmOpts { tol: 1e-14, parallel_threshold: 0, + max_krylov_m: None, }, ); for (a, b) in r_serial.iter().zip(r_parallel.iter()) { From fe486ffe962b8f8a8b9c4ff3c9ef0e523f10a243 Mon Sep 17 00:00:00 2001 From: alexschuckert Date: Wed, 17 Jun 2026 16:17:52 +0100 Subject: [PATCH 20/23] feat(ppvm-lindblad): drive real expm action via quspin-expm (matrix-free) Replace the hand-rolled Al-Mohy & Higham scaling-and-squaring engine on the real (f64) `pc_step`/`expm_step` path with the external `quspin-expm` crate, used fully matrix-free: a borrowed `MfOp` implements `quspin_types:: LinearOperator` over the in-basis Lindbladian action (`spmv_matrix_free`), and `ExpmOp::from_parts` supplies the shift mu = tr(M)/n, partition count s, and Taylor order m* directly -- bypassing quspin's adaptive parameter selection so only `dot` runs in the Taylor loop (no estimator, no dot_transpose). mu and the exact column 1-norm of M - mu*I are gathered in one matrix-free pass via `action()`; (m*, s) reuse the existing `select_ms` table. No CSR is materialised for the exponential action (`generator_csr` is kept for the other consumers). The old `expm` engine (expm_multiply / expm_multiply_mf / spmv / Csr) is retained but no longer on the `pc_step` path. The complex orbit-rep path is unaffected here and migrates separately on `symmetry-merging`. Validated: cargo test --workspace --exclude ppvm-python-native (618 passed) and the Python lindblad suite (13 passed, pc_step vs bilinear reference). NOTE: QuSpin-rust currently ships no LICENSE (all-rights-reserved). This pin is a placeholder pending a permissive license being added upstream; the quspin-expm authors are co-authors of the ppvm paper. Co-Authored-By: Claude Opus 4.8 (1M context) --- Cargo.lock | 780 +++++++++++++++++++++++++++- crates/ppvm-lindblad/Cargo.toml | 9 + crates/ppvm-lindblad/src/expm.rs | 4 +- crates/ppvm-lindblad/src/lib.rs | 34 +- crates/ppvm-lindblad/src/mf_expm.rs | 179 +++++++ 5 files changed, 965 insertions(+), 41 deletions(-) create mode 100644 crates/ppvm-lindblad/src/mf_expm.rs diff --git a/Cargo.lock b/Cargo.lock index 0d25884aa..dc14b3b0b 100644 --- a/Cargo.lock +++ b/Cargo.lock @@ -30,6 +30,16 @@ version = "0.2.21" source = "registry+https://github.com/rust-lang/crates.io-index" checksum = "683d7910e743518b0e34f1186f92494becacb047c7b6bf616c96772180fef923" +[[package]] +name = "alloy-rlp" +version = "0.3.15" +source = "registry+https://github.com/rust-lang/crates.io-index" +checksum = "dc90b1e703d3c03f4ff7f48e82dd0bc1c8211ab7d079cd836a06fcfeb06651cb" +dependencies = [ + "arrayvec", + "bytes", +] + [[package]] name = "anes" version = "0.1.6" @@ -66,6 +76,212 @@ dependencies = [ "object", ] 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"generic-array", +] + +[[package]] +name = "digest" +version = "0.10.7" +source = "registry+https://github.com/rust-lang/crates.io-index" +checksum = "9ed9a281f7bc9b7576e61468ba615a66a5c8cfdff42420a70aa82701a3b1e292" +dependencies = [ + "crypto-common", +] + +[[package]] +name = "educe" +version = "0.6.0" +source = "registry+https://github.com/rust-lang/crates.io-index" +checksum = "1d7bc049e1bd8cdeb31b68bbd586a9464ecf9f3944af3958a7a9d0f8b9799417" +dependencies = [ + "enum-ordinalize", + "proc-macro2", + "quote", + "syn 2.0.106", +] + [[package]] name = "either" version = "1.15.0" @@ -424,6 +724,26 @@ version = "1.0.0" source = "registry+https://github.com/rust-lang/crates.io-index" checksum = "34aa73646ffb006b8f5147f3dc182bd4bcb190227ce861fc4a4844bf8e3cb2c0" +[[package]] +name = "enum-ordinalize" +version = "4.3.2" +source = "registry+https://github.com/rust-lang/crates.io-index" +checksum = "4a1091a7bb1f8f2c4b28f1fe2cef4980ca2d410a3d727d67ecc3178c9b0800f0" +dependencies = [ + "enum-ordinalize-derive", +] + +[[package]] +name = "enum-ordinalize-derive" +version = "4.3.2" +source = "registry+https://github.com/rust-lang/crates.io-index" +checksum = "8ca9601fb2d62598ee17836250842873a413586e5d7ed88b356e38ddbb0ec631" +dependencies = [ + "proc-macro2", + "quote", + "syn 2.0.106", +] + [[package]] name = "equivalent" version = "1.0.2" @@ -446,12 +766,46 @@ version = "2.4.1" source = "registry+https://github.com/rust-lang/crates.io-index" checksum = "9f1f227452a390804cdb637b74a86990f2a7d7ba4b7d5693aac9b4dd6defd8d6" +[[package]] +name = "fastrlp" +version = "0.3.1" +source = "registry+https://github.com/rust-lang/crates.io-index" +checksum = "139834ddba373bbdd213dffe02c8d110508dcf1726c2be27e8d1f7d7e1856418" +dependencies = [ + "arrayvec", + "auto_impl", + "bytes", +] + +[[package]] +name = "fastrlp" +version = "0.4.0" +source = "registry+https://github.com/rust-lang/crates.io-index" +checksum = "ce8dba4714ef14b8274c371879b175aa55b16b30f269663f19d576f380018dc4" +dependencies = [ + "arrayvec", + "auto_impl", + "bytes", +] + [[package]] name = "find-msvc-tools" version = "0.1.9" source = "registry+https://github.com/rust-lang/crates.io-index" checksum = "5baebc0774151f905a1a2cc41989300b1e6fbb29aff0ceffa1064fdd3088d582" +[[package]] +name = "fixed-hash" +version = "0.8.0" +source = "registry+https://github.com/rust-lang/crates.io-index" +checksum = "835c052cb0c08c1acf6ffd71c022172e18723949c8282f2b9f27efbc51e64534" +dependencies = [ + "byteorder", + "rand 0.8.6", + "rustc-hex", + "static_assertions", +] + [[package]] name = "fnv" version = "1.0.7" @@ -479,6 +833,27 @@ dependencies = [ "byteorder", ] +[[package]] +name = "generic-array" +version = "0.14.7" +source = "registry+https://github.com/rust-lang/crates.io-index" +checksum = "85649ca51fd72272d7821adaf274ad91c288277713d9c18820d8499a7ff69e9a" +dependencies = [ + "typenum", + "version_check", +] + +[[package]] +name = "getrandom" +version = "0.2.17" +source = "registry+https://github.com/rust-lang/crates.io-index" +checksum = "ff2abc00be7fca6ebc474524697ae276ad847ad0a6b3faa4bcb027e9a4614ad0" +dependencies = [ + "cfg-if", + "libc", + "wasi 0.11.1+wasi-snapshot-preview1", +] + [[package]] name = "getrandom" version = "0.3.3" @@ -488,7 +863,7 @@ dependencies = [ "cfg-if", "libc", "r-efi", - "wasi", + "wasi 0.14.7+wasi-0.2.4", ] [[package]] @@ -559,6 +934,12 @@ version = "0.5.2" source = "registry+https://github.com/rust-lang/crates.io-index" checksum = "fc0fef456e4baa96da950455cd02c081ca953b141298e41db3fc7e36b1da849c" +[[package]] +name = "hex" +version = "0.4.3" +source = "registry+https://github.com/rust-lang/crates.io-index" +checksum = "7f24254aa9a54b5c858eaee2f5bccdb46aaf0e486a595ed5fd8f86ba55232a70" + [[package]] name = "id-arena" version = "2.3.0" @@ -571,6 +952,26 @@ version = "1.0.1" source = "registry+https://github.com/rust-lang/crates.io-index" checksum = "b9e0384b61958566e926dc50660321d12159025e767c18e043daf26b70104c39" +[[package]] +name = "impl-codec" +version = "0.6.0" +source = "registry+https://github.com/rust-lang/crates.io-index" +checksum = "ba6a270039626615617f3f36d15fc827041df3b78c439da2cadfa47455a77f2f" +dependencies = [ + "parity-scale-codec", +] + +[[package]] +name = "impl-trait-for-tuples" +version = "0.2.3" +source = "registry+https://github.com/rust-lang/crates.io-index" +checksum = "a0eb5a3343abf848c0984fe4604b2b105da9539376e24fc0a3b0007411ae4fd9" +dependencies = [ + "proc-macro2", + "quote", + "syn 2.0.106", +] + [[package]] name = "indexmap" version = "2.11.4" @@ -613,6 +1014,15 @@ dependencies = [ "rustversion", ] +[[package]] +name = "itertools" +version = "0.10.5" +source = "registry+https://github.com/rust-lang/crates.io-index" +checksum = "b0fd2260e829bddf4cb6ea802289de2f86d6a7a690192fbe91b3f46e0f2c8473" +dependencies = [ + "either", +] + [[package]] name = "itertools" version = "0.13.0" @@ -647,6 +1057,21 @@ dependencies = [ "wasm-bindgen", ] +[[package]] +name = "konst" +version = "0.2.20" +source = "registry+https://github.com/rust-lang/crates.io-index" +checksum = "128133ed7824fcd73d6e7b17957c5eb7bacb885649bd8c69708b2331a10bcefb" +dependencies = [ + "konst_macro_rules", +] + +[[package]] +name = "konst_macro_rules" +version = "0.2.19" +source = "registry+https://github.com/rust-lang/crates.io-index" +checksum = "a4933f3f57a8e9d9da04db23fb153356ecaf00cbd14aee46279c33dc80925c37" + [[package]] name = "leb128fmt" version = "0.1.0" @@ -659,6 +1084,12 @@ version = "0.2.176" source = "registry+https://github.com/rust-lang/crates.io-index" checksum = "58f929b4d672ea937a23a1ab494143d968337a5f47e56d0815df1e0890ddf174" +[[package]] +name = "libm" +version = "0.2.16" +source = "registry+https://github.com/rust-lang/crates.io-index" +checksum = "b6d2cec3eae94f9f509c767b45932f1ada8350c4bdb85af2fcab4a3c14807981" + [[package]] name = "libmimalloc-sys" version = "0.1.49" @@ -769,6 +1200,7 @@ version = "0.4.6" source = "registry+https://github.com/rust-lang/crates.io-index" checksum = "73f88a1307638156682bada9d7604135552957b7818057dcef22705b4d509495" dependencies = [ + "bytemuck", "num-traits", ] @@ -810,6 +1242,7 @@ source = "registry+https://github.com/rust-lang/crates.io-index" checksum = "071dfc062690e90b734c0b2273ce72ad0ffa95f0c74596bc250dcfd960262841" dependencies = [ "autocfg", + "libm", ] [[package]] @@ -859,6 +1292,34 @@ version = "11.1.5" source = "registry+https://github.com/rust-lang/crates.io-index" checksum = "d6790f58c7ff633d8771f42965289203411a5e5c68388703c06e14f24770b41e" +[[package]] +name = "parity-scale-codec" +version = "3.7.5" +source = "registry+https://github.com/rust-lang/crates.io-index" +checksum = "799781ae679d79a948e13d4824a40970bfa500058d245760dd857301059810fa" +dependencies = [ + "arrayvec", + "bitvec", + "byte-slice-cast", + "const_format", + "impl-trait-for-tuples", + "parity-scale-codec-derive", + "rustversion", + "serde", +] + +[[package]] +name = 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source = "registry+https://github.com/rust-lang/crates.io-index" checksum = "479ca8adacdd7ce8f1fb39ce9ecccbfe93a3f1344b3d0d97f20bc0196208f62b" dependencies = [ "proc-macro2", - "syn", + "syn 2.0.106", +] + +[[package]] +name = "primitive-types" +version = "0.12.2" +source = "registry+https://github.com/rust-lang/crates.io-index" +checksum = "0b34d9fd68ae0b74a41b21c03c2f62847aa0ffea044eee893b4c140b37e244e2" +dependencies = [ + "fixed-hash", + "impl-codec", + "uint", +] + +[[package]] +name = "proc-macro-crate" +version = "3.5.0" +source = "registry+https://github.com/rust-lang/crates.io-index" +checksum = "e67ba7e9b2b56446f1d419b1d807906278ffa1a658a8a5d8a39dcb1f5a78614f" +dependencies = [ + "toml_edit", ] [[package]] @@ -1076,7 +1570,7 @@ dependencies = [ "bitflags", "num-traits", "rand 0.9.4", - "rand_chacha", + "rand_chacha 0.9.0", "rand_xorshift", "regex-syntax 0.8.6", "rusty-fork", @@ -1140,7 +1634,7 @@ dependencies = [ "proc-macro2", "pyo3-macros-backend", "quote", - "syn", + "syn 2.0.106", ] [[package]] @@ -1153,7 +1647,7 @@ dependencies = [ "proc-macro2", "pyo3-build-config", "quote", - "syn", + "syn 2.0.106", ] [[package]] @@ -1171,6 +1665,28 @@ dependencies = [ "proc-macro2", ] +[[package]] +name = "quspin-expm" +version = "0.1.0" +source = "git+https://github.com/QuSpin/QuSpin-rust?rev=6f4a1581e14d5258c9aeb684b4aec964bdff4e34#6f4a1581e14d5258c9aeb684b4aec964bdff4e34" +dependencies = [ + "ndarray", + "num-complex", + "quspin-types", + "rayon", +] + +[[package]] +name = "quspin-types" +version = "0.1.0" +source = "git+https://github.com/QuSpin/QuSpin-rust?rev=6f4a1581e14d5258c9aeb684b4aec964bdff4e34#6f4a1581e14d5258c9aeb684b4aec964bdff4e34" +dependencies = [ + "ndarray", + "num-complex", + "ruint", + "thiserror", +] + [[package]] name = "r-efi" version = "5.3.0" @@ -1183,13 +1699,24 @@ version = "0.7.0" source = "registry+https://github.com/rust-lang/crates.io-index" checksum = "dc33ff2d4973d518d823d61aa239014831e521c75da58e3df4840d3f47749d09" +[[package]] +name = "rand" +version = "0.8.6" +source = "registry+https://github.com/rust-lang/crates.io-index" +checksum = "5ca0ecfa931c29007047d1bc58e623ab12e5590e8c7cc53200d5202b69266d8a" +dependencies = [ + "libc", + "rand_chacha 0.3.1", + "rand_core 0.6.4", +] + [[package]] name = "rand" version = "0.9.4" source = "registry+https://github.com/rust-lang/crates.io-index" checksum = "44c5af06bb1b7d3216d91932aed5265164bf384dc89cd6ba05cf59a35f5f76ea" dependencies = [ - "rand_chacha", + "rand_chacha 0.9.0", "rand_core 0.9.5", ] @@ -1204,6 +1731,16 @@ dependencies = [ "rand_core 0.10.0", ] +[[package]] +name = "rand_chacha" +version = "0.3.1" +source = "registry+https://github.com/rust-lang/crates.io-index" +checksum = "e6c10a63a0fa32252be49d21e7709d4d4baf8d231c2dbce1eaa8141b9b127d88" +dependencies = [ + "ppv-lite86", + "rand_core 0.6.4", +] + [[package]] name = "rand_chacha" version = "0.9.0" @@ -1214,6 +1751,15 @@ dependencies = [ "rand_core 0.9.5", ] +[[package]] +name = "rand_core" +version = 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0.4.0", + "num-bigint", + "num-integer", + "num-traits", + "parity-scale-codec", + "primitive-types", + "proptest", + "rand 0.8.6", + "rand 0.9.4", + "rlp", + "ruint-macro", + "serde_core", + "valuable", + "zeroize", +] + +[[package]] +name = "ruint-macro" +version = "1.2.1" +source = "registry+https://github.com/rust-lang/crates.io-index" +checksum = "48fd7bd8a6377e15ad9d42a8ec25371b94ddc67abe7c8b9127bec79bebaaae18" + [[package]] name = "rustc-hash" version = "2.1.2" source = "registry+https://github.com/rust-lang/crates.io-index" checksum = "94300abf3f1ae2e2b8ffb7b58043de3d399c73fa6f4b73826402a5c457614dbe" +[[package]] +name = "rustc-hex" +version = "2.1.0" +source = "registry+https://github.com/rust-lang/crates.io-index" +checksum = "3e75f6a532d0fd9f7f13144f392b6ad56a32696bfcd9c78f797f16bbb6f072d6" + +[[package]] +name = "rustc_version" +version = "0.3.3" +source = "registry+https://github.com/rust-lang/crates.io-index" +checksum = "f0dfe2087c51c460008730de8b57e6a320782fbfb312e1f4d520e6c6fae155ee" +dependencies = [ + "semver 0.11.0", +] + +[[package]] +name = "rustc_version" +version = "0.4.1" +source = "registry+https://github.com/rust-lang/crates.io-index" +checksum = "cfcb3a22ef46e85b45de6ee7e79d063319ebb6594faafcf1c225ea92ab6e9b92" +dependencies = [ + "semver 1.0.27", +] + [[package]] name = "rustix" version = "1.1.2" @@ -1377,12 +1991,30 @@ version = "1.2.0" source = "registry+https://github.com/rust-lang/crates.io-index" checksum = "94143f37725109f92c262ed2cf5e59bce7498c01bcc1502d7b9afe439a4e9f49" +[[package]] +name = "semver" +version = "0.11.0" +source = "registry+https://github.com/rust-lang/crates.io-index" +checksum = "f301af10236f6df4160f7c3f04eec6dbc70ace82d23326abad5edee88801c6b6" +dependencies = [ + "semver-parser", +] + [[package]] name = "semver" version = "1.0.27" source = "registry+https://github.com/rust-lang/crates.io-index" checksum = "d767eb0aabc880b29956c35734170f26ed551a859dbd361d140cdbeca61ab1e2" +[[package]] +name = "semver-parser" +version = "0.10.3" +source = "registry+https://github.com/rust-lang/crates.io-index" +checksum = "9900206b54a3527fdc7b8a938bffd94a568bac4f4aa8113b209df75a09c0dec2" +dependencies = [ + "pest", +] + [[package]] name = "serde" version = "1.0.228" @@ -1410,7 +2042,7 @@ checksum = "d540f220d3187173da220f885ab66608367b6574e925011a9353e4badda91d79" dependencies = [ "proc-macro2", "quote", - "syn", + "syn 2.0.106", ] [[package]] @@ -1471,6 +2103,12 @@ dependencies = [ "windows-sys 0.61.2", ] +[[package]] +name = "static_assertions" +version = "1.1.0" +source = "registry+https://github.com/rust-lang/crates.io-index" +checksum = "a2eb9349b6444b326872e140eb1cf5e7c522154d69e7a0ffb0fb81c06b37543f" + [[package]] name = "stim-parser" version = "0.1.0" @@ -1486,6 +2124,17 @@ version = "0.11.1" source = "registry+https://github.com/rust-lang/crates.io-index" checksum = "7da8b5736845d9f2fcb837ea5d9e2628564b3b043a70948a3f0b778838c5fb4f" +[[package]] +name = "syn" +version = "1.0.109" +source = "registry+https://github.com/rust-lang/crates.io-index" +checksum = "72b64191b275b66ffe2469e8af2c1cfe3bafa67b529ead792a6d0160888b4237" +dependencies = [ + "proc-macro2", + "quote", + "unicode-ident", +] + [[package]] name = "syn" version = "2.0.106" @@ -1539,7 +2188,7 @@ checksum = "ebc4ee7f67670e9b64d05fa4253e753e016c6c95ff35b89b7941d6b856dec1d5" dependencies = [ "proc-macro2", "quote", - "syn", + "syn 2.0.106", ] [[package]] @@ -1552,6 +2201,60 @@ dependencies = [ "serde_json", ] +[[package]] +name = "toml_datetime" +version = "1.1.1+spec-1.1.0" +source = "registry+https://github.com/rust-lang/crates.io-index" +checksum = "3165f65f62e28e0115a00b2ebdd37eb6f3b641855f9d636d3cd4103767159ad7" +dependencies = [ + "serde_core", +] + +[[package]] +name = "toml_edit" +version = "0.25.6+spec-1.1.0" +source = "registry+https://github.com/rust-lang/crates.io-index" +checksum = "0db3bae107c9522f86d361697dee1d7386a2ddcf659d5aea5159819a21a3c4a7" +dependencies = [ + "indexmap", + "toml_datetime", + "toml_parser", + "winnow", +] + +[[package]] +name = "toml_parser" +version = "1.1.2+spec-1.1.0" +source = "registry+https://github.com/rust-lang/crates.io-index" +checksum = "a2abe9b86193656635d2411dc43050282ca48aa31c2451210f4202550afb7526" +dependencies = [ + "winnow", +] + +[[package]] +name = "typenum" +version = "1.20.1" +source = "registry+https://github.com/rust-lang/crates.io-index" +checksum = "b6f5e870be6c3b371b77fe0ee0bafb859fa4964b4404c27de1d380043c4dda20" + +[[package]] +name = "ucd-trie" +version = "0.1.7" +source = "registry+https://github.com/rust-lang/crates.io-index" +checksum = "2896d95c02a80c6d6a5d6e953d479f5ddf2dfdb6a244441010e373ac0fb88971" + +[[package]] +name = "uint" +version = "0.9.5" +source = "registry+https://github.com/rust-lang/crates.io-index" +checksum = "76f64bba2c53b04fcab63c01a7d7427eadc821e3bc48c34dc9ba29c501164b52" +dependencies = [ + "byteorder", + "crunchy", + "hex", + "static_assertions", +] + [[package]] name = "unarray" version = "0.1.4" @@ -1588,6 +2291,12 @@ version = "0.0.4" source = "registry+https://github.com/rust-lang/crates.io-index" checksum = "6d49784317cd0d1ee7ec5c716dd598ec5b4483ea832a2dced265471cc0f690ae" +[[package]] +name = "valuable" +version = "0.1.1" +source = "registry+https://github.com/rust-lang/crates.io-index" +checksum = "ba73ea9cf16a25df0c8caa16c51acb937d5712a8429db78a3ee29d5dcacd3a65" + [[package]] name = "version_check" version = "0.9.5" @@ -1619,6 +2328,12 @@ dependencies = [ "winapi-util", ] +[[package]] +name = "wasi" +version = "0.11.1+wasi-snapshot-preview1" +source = "registry+https://github.com/rust-lang/crates.io-index" +checksum = "ccf3ec651a847eb01de73ccad15eb7d99f80485de043efb2f370cd654f4ea44b" + [[package]] name = "wasi" version = "0.14.7+wasi-0.2.4" @@ -1669,7 +2384,7 @@ dependencies = [ "log", "proc-macro2", "quote", - "syn", + "syn 2.0.106", "wasm-bindgen-shared", ] @@ -1691,7 +2406,7 @@ checksum = "9f07d2f20d4da7b26400c9f4a0511e6e0345b040694e8a75bd41d578fa4421d7" dependencies = [ "proc-macro2", "quote", - "syn", + "syn 2.0.106", "wasm-bindgen-backend", "wasm-bindgen-shared", ] @@ -1736,7 +2451,7 @@ dependencies = [ "bitflags", "hashbrown 0.15.5", "indexmap", - "semver", + "semver 1.0.27", ] [[package]] @@ -1846,6 +2561,15 @@ version = "0.52.6" source = "registry+https://github.com/rust-lang/crates.io-index" checksum = "589f6da84c646204747d1270a2a5661ea66ed1cced2631d546fdfb155959f9ec" +[[package]] +name = "winnow" +version = "1.0.3" +source = "registry+https://github.com/rust-lang/crates.io-index" +checksum = "0592e1c9d151f854e6fd382574c3a0855250e1d9b2f99d9281c6e6391af352f1" +dependencies = [ + "memchr", +] + [[package]] name = "wit-bindgen" version = "0.46.0" @@ -1882,7 +2606,7 @@ dependencies = [ "heck", "indexmap", "prettyplease", - "syn", + "syn 2.0.106", "wasm-metadata", "wit-bindgen-core", "wit-component", @@ -1898,7 +2622,7 @@ dependencies = [ "prettyplease", "proc-macro2", "quote", - "syn", + "syn 2.0.106", "wit-bindgen-core", "wit-bindgen-rust", ] @@ -1932,7 +2656,7 @@ dependencies = [ "id-arena", "indexmap", "log", - "semver", + "semver 1.0.27", "serde", "serde_derive", "serde_json", @@ -1966,5 +2690,25 @@ checksum = "88d2b8d9c68ad2b9e4340d7832716a4d21a22a1154777ad56ea55c51a9cf3831" dependencies = [ "proc-macro2", "quote", - "syn", + "syn 2.0.106", +] + +[[package]] +name = "zeroize" +version = "1.9.0" +source = "registry+https://github.com/rust-lang/crates.io-index" +checksum = "e13c156562582aa81c60cb29407084cdb54c4164760106ab78e6c5b0858cf64e" +dependencies = [ + "zeroize_derive", +] + +[[package]] +name = "zeroize_derive" +version = "1.5.0" +source = "registry+https://github.com/rust-lang/crates.io-index" +checksum = "3c50655cbb0fe3fc43170059e702f1ce5e19b84cec58dc87b037a09935c2f328" +dependencies = [ + "proc-macro2", + "quote", + "syn 2.0.106", ] diff --git a/crates/ppvm-lindblad/Cargo.toml b/crates/ppvm-lindblad/Cargo.toml index eec8cd1a2..2d07f9011 100644 --- a/crates/ppvm-lindblad/Cargo.toml +++ b/crates/ppvm-lindblad/Cargo.toml @@ -6,10 +6,19 @@ description = "Direct Heisenberg-picture Lindbladian evolution on an adaptive Pa [dependencies] fxhash = "0.2.1" +ndarray = "0.17" num = "0.4.3" ppvm-runtime = { version = "0.1.0", path = "../ppvm-runtime" } rayon = "1.11" sprs = { version = "0.11", default-features = false, features = ["multi_thread"] } +# Matrix-exponential action (Al-Mohy & Higham). NOTE: QuSpin-rust currently has +# no LICENSE file; this pin is a placeholder pending a permissive license being +# added upstream (the authors are co-authors of the ppvm paper). +quspin-expm = { git = "https://github.com/QuSpin/QuSpin-rust", rev = "6f4a1581e14d5258c9aeb684b4aec964bdff4e34" } +# `QuSpinError` (the error type returned by the `LinearOperator` trait methods +# we implement in `mf_expm.rs`) is not re-exported from `quspin-expm`'s root, +# so we depend on `quspin-types` directly. Same git rev as `quspin-expm`. +quspin-types = { git = "https://github.com/QuSpin/QuSpin-rust", rev = "6f4a1581e14d5258c9aeb684b4aec964bdff4e34" } [dev-dependencies] approx = "0.5.1" diff --git a/crates/ppvm-lindblad/src/expm.rs b/crates/ppvm-lindblad/src/expm.rs index 24ed32e89..749183a8c 100644 --- a/crates/ppvm-lindblad/src/expm.rs +++ b/crates/ppvm-lindblad/src/expm.rs @@ -30,7 +30,7 @@ pub type Csr = CsMatI; /// `θ_m` bounds `‖A‖₁` such that the degree-`m` Taylor polynomial /// approximates `exp(A)` to within `u`. We pick `(m, s)` with /// `s ≥ ⌈‖tA‖₁ / θ_m⌉` and minimise `m·s` (total SpMV count). -const THETA: &[(u32, f64)] = &[ +pub(crate) const THETA: &[(u32, f64)] = &[ (1, 2.29e-16), (2, 2.58e-8), (3, 1.39e-5), @@ -182,7 +182,7 @@ impl Default for ExpmOpts { /// Pick `(m, s)` minimising `s·m` subject to `s ≥ ⌈t_norm / θ_m⌉, s ≥ 1`. /// Restricted to `m ≤ 30`; for larger norms `s` simply grows linearly. /// When `max_m` is set, only entries with `m ≤ max_m` are considered. -fn select_ms(t_norm: f64, max_m: Option) -> (u32, u32) { +pub(crate) fn select_ms(t_norm: f64, max_m: Option) -> (u32, u32) { if t_norm <= 0.0 { return (1, 1); } diff --git a/crates/ppvm-lindblad/src/lib.rs b/crates/ppvm-lindblad/src/lib.rs index 8aa1a4d3c..81f3a359b 100644 --- a/crates/ppvm-lindblad/src/lib.rs +++ b/crates/ppvm-lindblad/src/lib.rs @@ -41,6 +41,7 @@ use std::fmt; use std::time::Instant; pub mod expm; +mod mf_expm; pub use expm::{Csr, ExpmOpts, csr_from_triplets, csr_one_norm, expm_multiply, spmv_parallel}; /// Words pack up to 128 qubits. @@ -1357,33 +1358,24 @@ impl LindbladSpec { Ok(()) } - /// Compute `exp(dt · M) · b` for the in-basis-restricted generator - /// `M`, either by building a CSR (`matrix_free == false`, default) or - /// matrix-free (`matrix_free == true`). Both paths use the same - /// Al-Mohy & Higham scaling-and-squaring algorithm. + /// Compute `exp(dt · M) · b` for the in-basis-restricted generator `M`, + /// matrix-free, via the external `quspin-expm` engine + /// ([`mf_expm::expm_apply_mf`]). + /// + /// `opts` and `matrix_free` are retained on the public [`Self::pc_step`] + /// surface for API stability (the Python bindings pass them), but the + /// real (`f64`) path is now unconditionally matrix-free and the + /// quspin engine selects its own truncation tolerance, so both are + /// ignored here. fn expm_step( &self, basis: &[Word], dt: f64, b: &[f64], - opts: ExpmOpts, - matrix_free: bool, + _opts: ExpmOpts, + _matrix_free: bool, ) -> Vec { - if matrix_free { - let basis_index = build_basis_index(basis); - let one_norm = self.one_norm_matrix_free(basis, &basis_index); - expm::expm_multiply_mf( - basis.len(), - one_norm, - |x, y| self.spmv_matrix_free(basis, &basis_index, x, y), - dt, - b, - opts, - ) - } else { - let csr = self.generator_csr(basis); - expm_multiply(&csr, dt, b, opts) - } + mf_expm::expm_apply_mf(self, basis, dt, b) } /// Compute the unscaled list of `(output, coefficient)` pairs that diff --git a/crates/ppvm-lindblad/src/mf_expm.rs b/crates/ppvm-lindblad/src/mf_expm.rs new file mode 100644 index 000000000..d2764bf62 --- /dev/null +++ b/crates/ppvm-lindblad/src/mf_expm.rs @@ -0,0 +1,179 @@ +// SPDX-FileCopyrightText: 2026 The PPVM Authors +// SPDX-License-Identifier: Apache-2.0 + +//! Matrix-free `exp(dt · L*) · b` for the real (`f64`) path, driven by the +//! external `quspin-expm` crate. +//! +//! Instead of materialising the in-basis-restricted generator as a CSR, we +//! wrap the Lindbladian action in a [`MfOp`] implementing +//! [`quspin_types::LinearOperator`] and feed it to +//! [`quspin_expm::ExpmOp::from_parts`]. Using `from_parts` (rather than +//! `ExpmOp::new`) supplies the diagonal shift `μ`, the partition count `s`, +//! and the truncation order `m*` directly, which BYPASSES quspin's adaptive +//! parameter selection. As a consequence the 1-norm *estimator* and +//! `dot_transpose` are never invoked on the single-vector `apply` path — only +//! [`LinearOperator::dot`] runs, inside the Taylor/Horner loop. +//! +//! The shift `μ` and the exact column 1-norm of `A − μ·I` are computed in one +//! matrix-free pass over the basis (the same `(m, s)` selection table as the +//! retired hand-rolled engine in [`crate::expm`]). + +use crate::{LindbladSpec, Word, build_basis_index, expm}; +use fxhash::FxHashMap; +use quspin_types::{ExpmComputation, LinearOperator, QuSpinError}; +use rayon::prelude::*; + +/// Borrowed matrix-free view of the in-basis-restricted Lindbladian +/// generator `M` (the same matrix [`LindbladSpec::generator_csr`] would +/// build, never materialised). +/// +/// Borrowed, not owned: `quspin-types` provides a blanket +/// `LinearOperator` impl for `&T`, so `ExpmOp::from_parts(op, …)` accepts a +/// `MfOp` by value while it keeps borrowing `spec` / `basis`. +pub(crate) struct MfOp<'a> { + spec: &'a LindbladSpec, + basis: &'a [Word], + /// `Word → row` map for `basis`; built once and reused across every + /// `dot` in the Taylor loop. + index: FxHashMap, +} + +impl LinearOperator for MfOp<'_> { + fn dim(&self) -> usize { + self.basis.len() + } + + fn parallel_hint(&self) -> bool { + // `dot` parallelises internally over basis columns, and we drive the + // sequential single-vector `apply` path; never let quspin run its + // persistent-thread pool on top of our rayon parallelism. + false + } + + fn dot(&self, overwrite: bool, input: &[f64], output: &mut [f64]) -> Result<(), QuSpinError> { + if overwrite { + self.spec + .spmv_matrix_free(self.basis, &self.index, input, output); + } else { + let mut tmp = vec![0.0; output.len()]; + self.spec + .spmv_matrix_free(self.basis, &self.index, input, &mut tmp); + for (o, t) in output.iter_mut().zip(tmp.iter()) { + *o += *t; + } + } + Ok(()) + } + + fn trace(&self) -> f64 { + // Computed eagerly in `expm_apply_mf`; never reached on the + // `from_parts` + single-vector `apply` path. + unreachable!("MfOp::trace not used on the from_parts apply path") + } + + fn onenorm(&self, _shift: f64) -> f64 { + unreachable!("MfOp::onenorm not used on the from_parts apply path") + } + + fn dot_transpose( + &self, + _overwrite: bool, + _input: &[f64], + _output: &mut [f64], + ) -> Result<(), QuSpinError> { + Err(QuSpinError::RuntimeError( + "MfOp: dot_transpose not used on the from_parts apply path".into(), + )) + } + + fn dot_many( + &self, + _overwrite: bool, + _input: ndarray::ArrayView2<'_, f64>, + _output: ndarray::ArrayViewMut2<'_, f64>, + ) -> Result<(), QuSpinError> { + Err(QuSpinError::RuntimeError( + "MfOp: dot_many not used on the from_parts apply path".into(), + )) + } + + fn dot_chunk( + &self, + _overwrite: bool, + _input: &[f64], + _output_chunk: &mut [f64], + _row_start: usize, + ) -> Result<(), QuSpinError> { + Err(QuSpinError::RuntimeError( + "MfOp: dot_chunk not used on the from_parts apply path".into(), + )) + } + + fn dot_transpose_chunk( + &self, + _input: &[f64], + _output: &[::Atomic], + _rows: std::ops::Range, + ) -> Result<(), QuSpinError> { + Err(QuSpinError::RuntimeError( + "MfOp: dot_transpose_chunk not used on the from_parts apply path".into(), + )) + } +} + +/// Compute `exp(dt · M) · coeffs` for the in-basis-restricted generator +/// `M`, matrix-free, via `quspin-expm`. Returns a fresh `Vec` of length +/// `basis.len()`. +/// +/// One matrix-free pass extracts the diagonal shift `μ = tr(M)/n` and the +/// exact column 1-norm of `M − μ·I`; from `‖dt·(M−μI)‖₁` we pick the Taylor +/// partition `(m*, s)` and hand everything to +/// [`quspin_expm::ExpmOp::from_parts`]. +pub(crate) fn expm_apply_mf(spec: &LindbladSpec, basis: &[Word], dt: f64, coeffs: &[f64]) -> Vec { + let n = basis.len(); + if n == 0 { + return Vec::new(); + } + + // Single matrix-free pass: per column gather `raw = Σ|coeff|` and the + // diagonal entry `diag` (coeff of the term whose output Word == the input + // Word). From these we get `trace = Σ diag`, `μ = trace/n`, and the + // column 1-norm of `M − μ·I`: per column it is + // `raw − |diag| + |diag − μ|`. + let per_col: Vec<(f64, f64)> = basis + .par_iter() + .map(|p| { + let terms = spec.action(p); + let mut raw = 0.0; + let mut diag = 0.0; + for (w, c) in &terms { + raw += c.abs(); + if w == p { + diag = *c; + } + } + (raw, diag) + }) + .collect(); + + let trace: f64 = per_col.iter().map(|(_, d)| *d).sum(); + let mu = trace / n as f64; + let onenorm = per_col + .iter() + .map(|(raw, diag)| raw - diag.abs() + (diag - mu).abs()) + .fold(0.0_f64, f64::max); + + let (m_star, s) = expm::select_ms(dt.abs() * onenorm, None); + + let op = MfOp { + spec, + basis, + index: build_basis_index(basis), + }; + let expm = quspin_expm::ExpmOp::from_parts(op, dt, mu, s as usize, m_star as usize, 1e-12_f64); + + let mut v = coeffs.to_vec(); + expm.apply(ndarray::ArrayViewMut1::from(v.as_mut_slice())) + .expect("expm apply"); + v +} From 84ab1a15d2696695a0bf86ffae400fb56032bb00 Mon Sep 17 00:00:00 2001 From: alexschuckert Date: Wed, 17 Jun 2026 17:21:12 +0100 Subject: [PATCH 21/23] refactor(ppvm-lindblad): remove retired expm engine and CSR-for-real path MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit Now that the real pc_step path runs entirely on quspin-expm (matrix-free, via mf_expm), delete the dead hand-rolled engine and every remnant of the CSR-for-real path. This branch has no complex/orbit-rep path, so the whole old engine is dead: * expm.rs: reduced to just `select_ms` + its `THETA` table (the only thing the new engine reuses). Removed the Csr type, csr_from_triplets, csr_one_norm, spmv / spmv_serial / spmv_parallel, ExpmOpts, expm_multiply, expm_multiply_mf, and their tests/imports. * lib.rs: removed LindbladSpec::generator_csr, one_norm_matrix_free, the now-dead SendPtr scatter helper, and the `expm` re-export. Dropped the `opts: ExpmOpts` and `matrix_free: bool` parameters from pc_step, pc_step_inner, pc_step_timed (+ inner) and expm_step — the path is unconditionally matrix-free now. * benches/spmv_scaling.rs: removed (benched the deleted real Csr/SpMV); drop its [[bench]] entry and the now-unused criterion dev-dep. Python bindings + wrapper: drop the expm_tol / parallel_threshold / matrix_free / max_krylov_m kwargs (they only configured the removed engine) from pc_step / pc_step_timed (bindings) and pc_step_arr / pc_step (wrapper); num_threads is retained. Updated the lindblad_pc_scaling demo. Net -750 / +30 lines. Validated: cargo test --workspace --exclude ppvm-python-native (all green, warning-clean) and the Python suite (136 passed). Co-Authored-By: Claude Opus 4.8 (1M context) --- Cargo.lock | 1 - crates/ppvm-lindblad/Cargo.toml | 5 - crates/ppvm-lindblad/benches/spmv_scaling.rs | 66 --- crates/ppvm-lindblad/src/expm.rs | 400 +------------------ crates/ppvm-lindblad/src/lib.rs | 240 +---------- crates/ppvm-lindblad/src/mf_expm.rs | 4 +- crates/ppvm-python-native/src/lindblad.rs | 32 +- ppvm-python/demo/lindblad_pc_scaling.py | 1 - ppvm-python/src/ppvm/lindblad.py | 31 +- 9 files changed, 30 insertions(+), 750 deletions(-) delete mode 100644 crates/ppvm-lindblad/benches/spmv_scaling.rs diff --git a/Cargo.lock b/Cargo.lock index dc14b3b0b..136b70a2b 100644 --- a/Cargo.lock +++ b/Cargo.lock @@ -1417,7 +1417,6 @@ name = "ppvm-lindblad" version = "0.1.0" dependencies = [ "approx", - "criterion", "fxhash", "ndarray", "num", diff --git a/crates/ppvm-lindblad/Cargo.toml b/crates/ppvm-lindblad/Cargo.toml index 2d07f9011..89e57bb5f 100644 --- a/crates/ppvm-lindblad/Cargo.toml +++ b/crates/ppvm-lindblad/Cargo.toml @@ -22,8 +22,3 @@ quspin-types = { git = "https://github.com/QuSpin/QuSpin-rust", rev = "6f4a1581e [dev-dependencies] approx = "0.5.1" -criterion = "0.7.0" - -[[bench]] -name = "spmv_scaling" -harness = false diff --git a/crates/ppvm-lindblad/benches/spmv_scaling.rs b/crates/ppvm-lindblad/benches/spmv_scaling.rs deleted file mode 100644 index f7fdc8381..000000000 --- a/crates/ppvm-lindblad/benches/spmv_scaling.rs +++ /dev/null @@ -1,66 +0,0 @@ -// SPDX-FileCopyrightText: 2026 The PPVM Authors -// SPDX-License-Identifier: Apache-2.0 - -//! Parallel SpMV scaling on a tridiagonal CSR matrix. Sweeps both matrix -//! size and thread count, so we can see where parallelism actually pays -//! off (compute-bound, L3-fitting) vs where DRAM bandwidth ceilings out -//! the speedup (large matrices). Each invocation runs inside a freshly -//! built rayon pool of the requested size. - -use criterion::{BenchmarkId, Criterion, Throughput, criterion_group, criterion_main}; -use ppvm_lindblad::{Csr, csr_from_triplets, spmv_parallel}; - -fn build_tridiagonal(n: usize) -> Csr { - let mut trips = Vec::with_capacity(3 * n); - for i in 0..n { - trips.push((i, i, -2.0)); - if i > 0 { - trips.push((i, i - 1, 1.0)); - } - if i + 1 < n { - trips.push((i, i + 1, 1.0)); - } - } - csr_from_triplets(n, &trips) -} - -fn bench_spmv_scaling(c: &mut Criterion) { - // (n, label) pairs: nnz ≈ 3n. ~16 bytes per nonzero (usize indices + f64) - // + 8 bytes per row. - // - // n = 100_000 → nnz ≈ 300_000 → ~5 MB (fits L2/L3, compute-bound) - // n = 500_000 → nnz ≈ 1_500_000 → ~24 MB (L3 boundary on M-series) - // n = 2_000_000 → nnz ≈ 6_000_000 → ~96 MB (busts L3, bandwidth-bound) - // n = 8_000_000 → nnz ≈ 24_000_000 → ~384 MB (well into DRAM) - let sizes = [100_000usize, 500_000, 2_000_000, 8_000_000]; - - for &n in &sizes { - let m = build_tridiagonal(n); - let x: Vec = (0..n).map(|i| (i as f64).sin()).collect(); - - let mut group = c.benchmark_group(format!("spmv_parallel/n={}", n)); - group.throughput(Throughput::Elements(m.nnz() as u64)); - group.sample_size(30); - group.measurement_time(std::time::Duration::from_secs(3)); - group.warm_up_time(std::time::Duration::from_secs(1)); - - for &threads in &[1usize, 2, 4, 8] { - let pool = rayon::ThreadPoolBuilder::new() - .num_threads(threads) - .build() - .unwrap(); - group.bench_with_input(BenchmarkId::from_parameter(threads), &threads, |b, _| { - b.iter_batched_ref( - || vec![0f64; n], - |y| pool.install(|| spmv_parallel(&m, &x, y)), - criterion::BatchSize::SmallInput, - ); - }); - } - - group.finish(); - } -} - -criterion_group!(benches, bench_spmv_scaling); -criterion_main!(benches); diff --git a/crates/ppvm-lindblad/src/expm.rs b/crates/ppvm-lindblad/src/expm.rs index 749183a8c..d5c7b5e9c 100644 --- a/crates/ppvm-lindblad/src/expm.rs +++ b/crates/ppvm-lindblad/src/expm.rs @@ -1,28 +1,14 @@ // SPDX-FileCopyrightText: 2026 The PPVM Authors // SPDX-License-Identifier: Apache-2.0 -//! Action of the matrix exponential, `y = exp(t·A)·b`, for real sparse `A`. +//! Support pieces for the `quspin-expm`-backed `exp(t·A)·b` engine. //! -//! Implements Al-Mohy & Higham (2011), Algorithm 3.2: a Horner-form -//! degree-`m` Taylor polynomial evaluated `s` times (scaling-and-squaring), -//! with `(m, s)` chosen from a precomputed table that minimises total SpMV -//! count subject to a double-precision truncation bound. -//! -//! Storage is `Csr`. The hot path is repeated sparse-matrix × -//! dense-vector products; SpMV is parallelised over rows with `rayon` when -//! the matrix has more than [`ExpmOpts::parallel_threshold`] nonzeros (below -//! that the task-spawn overhead beats the cache-friendly serial loop). -//! Both branches produce bit-identical output. - -use rayon::prelude::*; -use sprs::CsMatI; - -/// Sparse CSR matrix with `u32` column indices and `usize` indptr. -/// -/// `u32` keeps memory traffic in SpMV minimal (4 bytes per nonzero for the -/// column index instead of 8) — important for bandwidth-bound regimes. -/// `usize` indptr accommodates `nnz > 2^32` even when individual indices fit. -pub type Csr = CsMatI; +//! The hand-rolled scaling-and-squaring engine that once lived here has been +//! retired in favour of the external `quspin-expm` crate (driven from +//! [`crate::mf_expm`]). What remains is the shared scaffolding the new path +//! still relies on: the `(m, s)` selection table [`THETA`] / [`select_ms`] +//! from Al-Mohy & Higham (2011), used to pick the Taylor partition handed to +//! `quspin-expm`'s `from_parts`. /// `θ_m` table from Al-Mohy & Higham (2011), Table A.3, for double /// precision (unit roundoff `u = 2^{-53}`). @@ -63,122 +49,6 @@ pub(crate) const THETA: &[(u32, f64)] = &[ (30, 3.54), ]; -/// Build a `Csr` (square, `n × n`) from `(row, col, value)` -/// triplets. Duplicate triplets at the same `(row, col)` are summed. -pub fn csr_from_triplets(n: usize, triplets: &[(usize, usize, f64)]) -> Csr { - let mut counts = vec![0usize; n]; - for &(r, _, _) in triplets { - debug_assert!(r < n, "row index {r} out of range"); - counts[r] += 1; - } - let mut indptr = vec![0usize; n + 1]; - for i in 0..n { - indptr[i + 1] = indptr[i] + counts[i]; - } - let nnz = indptr[n]; - let mut indices = vec![0u32; nnz]; - let mut data = vec![0f64; nnz]; - let mut offset = vec![0usize; n]; - for &(r, c, v) in triplets { - debug_assert!(c < n, "col index {c} out of range"); - let pos = indptr[r] + offset[r]; - indices[pos] = c as u32; - data[pos] = v; - offset[r] += 1; - } - Csr::new_from_unsorted((n, n), indptr, indices, data) - .map_err(|(_, _, _, e)| e) - .expect("invalid CSR structure") -} - -/// Matrix 1-norm: `max_j Σ_i |A_{ij}|` (max column sum of absolute values). -/// Used to pick the Taylor parameters `(m, s)`. -pub fn csr_one_norm(m: &Csr) -> f64 { - if m.cols() == 0 { - return 0.0; - } - let mut col_sums = vec![0f64; m.cols()]; - for (k, &col) in m.indices().iter().enumerate() { - col_sums[col as usize] += m.data()[k].abs(); - } - col_sums.into_iter().fold(0f64, f64::max) -} - -/// `y ← A · x` (serial). -pub fn spmv_serial(m: &Csr, x: &[f64], y: &mut [f64]) { - debug_assert_eq!(x.len(), m.cols()); - debug_assert_eq!(y.len(), m.rows()); - let indptr_raw = m.indptr(); - let indptr = indptr_raw.raw_storage(); - let indices = m.indices(); - let data = m.data(); - for (i, yi) in y.iter_mut().enumerate() { - let mut sum = 0.0; - for k in indptr[i]..indptr[i + 1] { - sum += data[k] * x[indices[k] as usize]; - } - *yi = sum; - } -} - -/// `y ← A · x` (rayon-parallel over rows). -pub fn spmv_parallel(m: &Csr, x: &[f64], y: &mut [f64]) { - debug_assert_eq!(x.len(), m.cols()); - debug_assert_eq!(y.len(), m.rows()); - let indptr_raw = m.indptr(); - let indptr = indptr_raw.raw_storage(); - let indices = m.indices(); - let data = m.data(); - y.par_iter_mut().enumerate().for_each(|(i, yi)| { - let mut sum = 0.0; - for k in indptr[i]..indptr[i + 1] { - sum += data[k] * x[indices[k] as usize]; - } - *yi = sum; - }); -} - -/// Dispatches to [`spmv_parallel`] when `nnz ≥ parallel_threshold`, -/// else [`spmv_serial`]. -#[inline] -pub fn spmv(m: &Csr, x: &[f64], y: &mut [f64], parallel_threshold: usize) { - if m.nnz() >= parallel_threshold { - spmv_parallel(m, x, y); - } else { - spmv_serial(m, x, y); - } -} - -/// Options for [`expm_multiply`]. -#[derive(Clone, Copy, Debug)] -pub struct ExpmOpts { - /// Stop the inner Horner loop once successive Taylor terms drop below - /// `tol · ‖F‖`. Default `1e-12`. - pub tol: f64, - /// Threshold (in matrix `nnz`) above which SpMV is parallelised. Below - /// this rayon's task overhead beats cache-friendly serial. Default - /// `50_000`. - pub parallel_threshold: usize, - /// Maximum Krylov-Taylor degree `m_star` considered by `select_ms`. - /// `None` (default) uses the full table up to `m=30`. Capping at a - /// smaller value (e.g. `Some(10)`) trades wall (more outer - /// scaling-and-squaring `s` steps, so more total matvecs) for - /// instantaneous memory (no `m`-sized stack of vectors held in the - /// matrix-free SpMV's per-thread accumulators). Useful when `n` is - /// large enough that `m × n × 8 B` of Krylov scratch dominates RSS. - pub max_krylov_m: Option, -} - -impl Default for ExpmOpts { - fn default() -> Self { - Self { - tol: 1e-12, - parallel_threshold: 50_000, - max_krylov_m: None, - } - } -} - /// Pick `(m, s)` minimising `s·m` subject to `s ≥ ⌈t_norm / θ_m⌉, s ≥ 1`. /// Restricted to `m ≤ 30`; for larger norms `s` simply grows linearly. /// When `max_m` is set, only entries with `m ≤ max_m` are considered. @@ -207,265 +77,9 @@ pub(crate) fn select_ms(t_norm: f64, max_m: Option) -> (u32, u32) { (best_m, best_s) } -#[inline] -fn inf_norm(v: &[f64]) -> f64 { - v.iter().fold(0f64, |acc, &x| acc.max(x.abs())) -} - -/// Compute `exp(t · A) · b` for a real square sparse matrix `A`. Allocates -/// a fresh `Vec` of length `A.rows()`. -/// -/// The algorithm is Al-Mohy & Higham (2011) Algorithm 3.2: pick -/// `(m, s)` from the precomputed `θ_m` table to minimise SpMV count, -/// then iteratively apply a degree-`m` Horner-form Taylor polynomial -/// `s` times. Inside each Horner sweep we terminate early once two -/// successive Taylor terms have norm below `opts.tol · ‖F‖`. -pub fn expm_multiply(a: &Csr, t: f64, b: &[f64], opts: ExpmOpts) -> Vec { - assert_eq!( - a.rows(), - b.len(), - "matrix size {} mismatches vector length {}", - a.rows(), - b.len() - ); - let n = a.rows(); - if n == 0 { - return Vec::new(); - } - - let t_a_one_norm = t.abs() * csr_one_norm(a); - let (m_star, s) = select_ms(t_a_one_norm, opts.max_krylov_m); - let scale = t / s as f64; - - let mut f = b.to_vec(); - let mut bk = b.to_vec(); - let mut work = vec![0f64; n]; - - for _ in 0..s { - let mut c1 = inf_norm(&bk); - for i in 1..=m_star { - // bk ← (scale / i) · A · bk - spmv(a, &bk, &mut work, opts.parallel_threshold); - let factor = scale / i as f64; - for j in 0..n { - bk[j] = factor * work[j]; - } - // f ← f + bk - for j in 0..n { - f[j] += bk[j]; - } - // Early termination: two small successive Taylor terms. - let c2 = inf_norm(&bk); - let f_norm = inf_norm(&f).max(f64::MIN_POSITIVE); - if c1 + c2 <= opts.tol * f_norm { - break; - } - c1 = c2; - } - // Outer step: `f` becomes the input for the next scaling power. - bk.copy_from_slice(&f); - } - - f -} - -/// Matrix-free variant of [`expm_multiply`]. Same Al-Mohy & Higham -/// algorithm, but takes the matrix 1-norm and SpMV operation as -/// arguments instead of a [`Csr`]. -/// -/// `spmv_fn(x, y)` must compute `y ← M · x` where `M` is the linear -/// operator being exponentiated. `one_norm` must be the 1-norm of `M` -/// (`max_j Σ_i |M_{ij}|`); the caller computes it once before the call. -/// -/// Use this when materialising `M` as a [`Csr`] would dominate memory. -/// Trade: every SpMV recomputes the action instead of streaming through -/// pre-stored values, costing more compute per matvec. Wall time is -/// (per-eval cost × `s × m_star`), vs CSR's (build cost + `s × m_star × -/// matvec cost`), so matrix-free is wall-competitive only when CSR -/// matvec is memory-bandwidth-bound (i.e. at large `n`). -pub fn expm_multiply_mf( - n: usize, - one_norm: f64, - spmv_fn: F, - t: f64, - b: &[f64], - opts: ExpmOpts, -) -> Vec -where - F: Fn(&[f64], &mut [f64]), -{ - assert_eq!( - n, - b.len(), - "matrix dimension {} mismatches vector length {}", - n, - b.len() - ); - if n == 0 { - return Vec::new(); - } - - let t_a_one_norm = t.abs() * one_norm; - let (m_star, s) = select_ms(t_a_one_norm, opts.max_krylov_m); - let scale = t / s as f64; - - let mut f = b.to_vec(); - let mut bk = b.to_vec(); - let mut work = vec![0f64; n]; - - for _ in 0..s { - let mut c1 = inf_norm(&bk); - for i in 1..=m_star { - spmv_fn(&bk, &mut work); - let factor = scale / i as f64; - for j in 0..n { - bk[j] = factor * work[j]; - } - for j in 0..n { - f[j] += bk[j]; - } - let c2 = inf_norm(&bk); - let f_norm = inf_norm(&f).max(f64::MIN_POSITIVE); - if c1 + c2 <= opts.tol * f_norm { - break; - } - c1 = c2; - } - bk.copy_from_slice(&f); - } - - f -} - #[cfg(test)] mod tests { use super::*; - use approx::assert_abs_diff_eq; - - fn diag(vals: &[f64]) -> Csr { - let trips: Vec<_> = vals.iter().enumerate().map(|(i, &v)| (i, i, v)).collect(); - csr_from_triplets(vals.len(), &trips) - } - - #[test] - fn spmv_correctness() { - // [[1, 0, 2], - // [0, 3, 0], - // [4, 0, 5]] - let m = csr_from_triplets( - 3, - &[ - (0, 0, 1.0), - (0, 2, 2.0), - (1, 1, 3.0), - (2, 0, 4.0), - (2, 2, 5.0), - ], - ); - let x = vec![1.0, 1.0, 1.0]; - let mut y = vec![0.0; 3]; - spmv_serial(&m, &x, &mut y); - assert_eq!(y, vec![3.0, 3.0, 9.0]); - let mut y_par = vec![0.0; 3]; - spmv_parallel(&m, &x, &mut y_par); - assert_eq!(y_par, vec![3.0, 3.0, 9.0]); - } - - #[test] - fn one_norm() { - // 1-norm = max column abs-sum. Above: col0=5, col1=3, col2=7 → 7. - let m = csr_from_triplets( - 3, - &[ - (0, 0, 1.0), - (0, 2, 2.0), - (1, 1, 3.0), - (2, 0, 4.0), - (2, 2, 5.0), - ], - ); - assert_abs_diff_eq!(csr_one_norm(&m), 7.0); - } - - #[test] - fn expm_zero_t_identity() { - let m = diag(&[1.5, -2.0, 0.7]); - let b = vec![1.0, 2.0, 3.0]; - let r = expm_multiply(&m, 0.0, &b, ExpmOpts::default()); - for i in 0..3 { - assert_abs_diff_eq!(r[i], b[i], epsilon = 1e-14); - } - } - - #[test] - fn expm_diagonal_closed_form() { - // diag matrix → exp(t·A)·b is elementwise exp(t·a_i) * b_i. - let m = diag(&[1.5, -2.0, 0.7]); - let b = vec![1.0, 1.0, 1.0]; - let t = 0.5; - let r = expm_multiply(&m, t, &b, ExpmOpts::default()); - for (i, &a_i) in [1.5, -2.0, 0.7].iter().enumerate() { - assert_abs_diff_eq!(r[i], (t * a_i).exp(), epsilon = 1e-12); - } - } - - #[test] - fn expm_skew_rotation() { - // A = [[0, 1], [-1, 0]]: exp(tA) is rotation by t. - // exp(t·A)·(1, 0)^T = (cos t, -sin t)^T. - let m = csr_from_triplets(2, &[(0, 1, 1.0), (1, 0, -1.0)]); - let b = vec![1.0, 0.0]; - let t = 0.7; - let r = expm_multiply(&m, t, &b, ExpmOpts::default()); - assert_abs_diff_eq!(r[0], t.cos(), epsilon = 1e-12); - assert_abs_diff_eq!(r[1], -t.sin(), epsilon = 1e-12); - } - - #[test] - fn expm_serial_matches_parallel() { - // Same algorithm both paths; force one with a high threshold and - // one with zero. Results must be bit-identical (no floating - // reordering across rows since each row's reduction is sequential). - let trips: Vec<_> = (0..50) - .flat_map(|i| { - let i: usize = i; - let prev = if i > 0 { Some((i, i - 1, 0.3)) } else { None }; - let next = if i + 1 < 50 { - Some((i, i + 1, 0.5)) - } else { - None - }; - [Some((i, i, -0.4 - 0.01 * i as f64)), prev, next] - .into_iter() - .flatten() - }) - .collect(); - let m = csr_from_triplets(50, &trips); - let b: Vec = (0..50).map(|i| 1.0 / (i + 1) as f64).collect(); - let r_serial = expm_multiply( - &m, - 0.3, - &b, - ExpmOpts { - tol: 1e-14, - parallel_threshold: usize::MAX, - max_krylov_m: None, - }, - ); - let r_parallel = expm_multiply( - &m, - 0.3, - &b, - ExpmOpts { - tol: 1e-14, - parallel_threshold: 0, - max_krylov_m: None, - }, - ); - for (a, b) in r_serial.iter().zip(r_parallel.iter()) { - assert_eq!(a, b, "serial and parallel SpMV diverged"); - } - } #[test] fn ms_selection_sane() { diff --git a/crates/ppvm-lindblad/src/lib.rs b/crates/ppvm-lindblad/src/lib.rs index 81f3a359b..e0a2e078f 100644 --- a/crates/ppvm-lindblad/src/lib.rs +++ b/crates/ppvm-lindblad/src/lib.rs @@ -42,7 +42,6 @@ use std::time::Instant; pub mod expm; mod mf_expm; -pub use expm::{Csr, ExpmOpts, csr_from_triplets, csr_one_norm, expm_multiply, spmv_parallel}; /// Words pack up to 128 qubits. const W_U64: usize = 2; @@ -126,28 +125,6 @@ impl fmt::Display for Error { impl std::error::Error for Error {} -/// `Send + Sync` wrapper around `*mut T` for parallel scatter writes from -/// rayon tasks into pre-allocated arrays. Caller must guarantee that the -/// writes target disjoint indices. -/// -/// The field is intentionally private so closures that use [`Self::write`] -/// capture the whole struct (which is `Send + Sync`) rather than the -/// inner `*mut T` (which is not) — Rust 2021's disjoint-field capture -/// would otherwise peel the wrapper. -#[derive(Clone, Copy)] -struct SendPtr(*mut T); -unsafe impl Send for SendPtr {} -unsafe impl Sync for SendPtr {} - -impl SendPtr { - /// SAFETY: caller guarantees `offset` is in bounds and that no other - /// thread writes to the same offset. - #[inline(always)] - unsafe fn write(self, offset: usize, value: T) { - unsafe { self.0.add(offset).write(value) } - } -} - /// Per-phase timing breakdown (microseconds) returned by /// [`LindbladSpec::pc_step_timed`]. #[derive(Default, Clone, Copy, Debug)] @@ -735,119 +712,9 @@ impl LindbladSpec { flat } - /// Build the generator restricted to `basis` directly in CSR form, - /// skipping the intermediate `(row, col, val)` triplet materialisation. - /// - /// Algorithm: each task computes its column's contributions and writes - /// them into a thread-local `(col_idx, values)` buffer plus a per-row - /// count. Counts are then prefix-summed across threads into the final - /// CSR `row_ptr`, and a second parallel pass scatters each task's data - /// into the right CSR positions. This avoids both the - /// `Vec>` → `Vec<...>` flatten *and* the sequential - /// `from_triplets` count-and-scatter that dominated the original - /// `generator_csr` (~40% of PC-step wall time). - pub fn generator_csr(&self, basis: &[Word]) -> Csr { - let n = basis.len(); - if n == 0 { - return Csr::new((0, 0), vec![0], Vec::new(), Vec::new()); - } - - let index = build_basis_index(basis); - - // Phase 1: per-column, collect `(row, value)` pairs (already - // filtered to in-basis), in parallel with thread-local scratch. - let cols: Vec> = basis - .par_iter() - .map_init( - || { - ( - Vec::::with_capacity(self.n_qubits), - Vec::::with_capacity(128), - FxHashMap::>::with_capacity_and_hasher( - 128, - FxBuildHasher::default(), - ), - ) - }, - |(s1, s2, lm), p| { - let terms = self.compute_action_terms(p, s1, s2, lm); - let mut out = Vec::with_capacity(terms.len()); - for (w, v) in terms.iter() { - if let Some(&row) = index.get(w) { - out.push((row, *v)); - } - } - out - }, - ) - .collect(); - - // Phase 2: per-row counts. Each task scans its column and bumps - // an atomic per-row counter; total cost is `O(nnz / threads)`. - use std::sync::atomic::{AtomicU32, Ordering}; - let row_counts: Vec = (0..n).map(|_| AtomicU32::new(0)).collect(); - cols.par_iter().for_each(|col_data| { - for &(row, _) in col_data.iter() { - row_counts[row as usize].fetch_add(1, Ordering::Relaxed); - } - }); - - // Phase 3: prefix-sum the counts into `row_ptr`. Sequential but - // tiny (`O(n)`). - let mut row_ptr = vec![0usize; n + 1]; - for i in 0..n { - let c = row_counts[i].load(Ordering::Relaxed) as usize; - row_ptr[i + 1] = row_ptr[i] + c; - } - let nnz = row_ptr[n]; - - // Phase 4: scatter. Reuse `row_counts` as a per-row write offset - // (atomic fetch-and-add); each task writes its column's entries - // into the row's allocated slot. The increments target distinct - // rows mostly, and even when they collide, atomics on `Relaxed` - // are cheap on modern x86 / ARM. - for c in row_counts.iter() { - c.store(0, Ordering::Relaxed); - } - // We need parallel writes into shared `indices` and `data`. - // Safety: each `(row, slot)` pair is unique by construction (every - // (row, col) appears at most once per column, and atomic increment - // gives a unique slot per (row, write) event). We use raw-pointer - // writes inside `unsafe` to express this without RwLock overhead. - let mut indices = vec![0u32; nnz]; - let mut data = vec![0f64; nnz]; - let indices_ptr = SendPtr(indices.as_mut_ptr()); - let data_ptr = SendPtr(data.as_mut_ptr()); - let row_ptr_ref: &[usize] = &row_ptr; - let row_counts_ref: &[AtomicU32] = &row_counts; - // `move` on the closure forces whole-struct capture of `SendPtr` - // (rust 2021 edition does field-level capture by default, which - // would peel the inner `*mut T` and leak the !Sync). All captures - // are Copy (SendPtr) or `&` (refs), so `Fn` is still satisfied. - cols.par_iter() - .enumerate() - .for_each(move |(col, col_data)| { - for &(row, v) in col_data.iter() { - let slot_offset = row_counts_ref[row as usize].fetch_add(1, Ordering::Relaxed); - let pos = row_ptr_ref[row as usize] + slot_offset as usize; - // SAFETY: each `pos` is unique (atomic gives a unique slot - // per (row, write event)) and `pos < nnz` (counter bounded - // by precomputed row count). - unsafe { - indices_ptr.write(pos, col as u32); - data_ptr.write(pos, v); - } - } - }); - - Csr::new_from_unsorted((n, n), row_ptr, indices, data) - .map_err(|(_, _, _, e)| e) - .expect("invalid CSR structure") - } - /// Matrix-free SpMV: `y ← M · x` where `M` is the in-basis-restricted - /// generator (same matrix that [`Self::generator_csr`] would build, but - /// never materialised). For each basis column `j` with `x[j] != 0`, + /// generator (the in-basis-restricted generator `M`, never materialised). + /// For each basis column `j` with `x[j] != 0`, /// compute `L*(basis[j])`, look up each output Pauli in `basis_index`, /// and accumulate `v · x[j]` into `y` at the matching row. /// @@ -913,42 +780,6 @@ impl LindbladSpec { } } - /// Matrix 1-norm `max_j Σ_i |M_{ij}|` of the in-basis-restricted - /// generator, computed matrix-free. Used by [`expm::expm_multiply_mf`] - /// to pick the Taylor `(m, s)` parameters. - pub fn one_norm_matrix_free( - &self, - basis: &[Word], - basis_index: &FxHashMap, - ) -> f64 { - if basis.is_empty() { - return 0.0; - } - basis - .par_iter() - .map_init( - || { - ( - Vec::::with_capacity(self.n_qubits), - Vec::::with_capacity(128), - FxHashMap::>::with_capacity_and_hasher( - 128, - FxBuildHasher::default(), - ), - ) - }, - |(s1, s2, lm), p| { - let terms = self.compute_action_terms(p, s1, s2, lm); - terms - .iter() - .filter(|(w, _)| basis_index.contains_key(w)) - .map(|(_, v)| v.abs()) - .sum::() - }, - ) - .reduce(|| 0.0, f64::max) - } - /// Apply `L*` to the Pauli sum `Σ_j coeffs[j] · basis[j]` and return /// the result as a (Word → real coefficient) map. The basis of the /// returned operator is determined by the action — entries appear @@ -1185,12 +1016,8 @@ impl LindbladSpec { /// rayon thread pool of that size — useful for benchmarking parallel /// scaling. When `None`, the global rayon pool is used. /// - /// `matrix_free`, when `true`, computes `exp(dt·M)·b` without - /// materialising the in-basis CSR generator: each Krylov-Taylor SpMV - /// re-evaluates `L*(p)` per basis column. Trades wall (more compute - /// per matvec) for memory (no CSR storage). Default `false` keeps the - /// pre-existing CSR path. Useful when the basis is large enough that - /// CSR storage dominates peak RSS — typically at `n_basis ≳ 10⁵`. + /// The matrix-exponential action is computed matrix-free via the external + /// `quspin-expm` engine; the in-basis generator is never materialised. #[allow(clippy::too_many_arguments)] pub fn pc_step( &self, @@ -1200,9 +1027,7 @@ impl LindbladSpec { tau_add: f64, drop_tol: f64, protected: &[Word], - opts: ExpmOpts, num_threads: Option, - matrix_free: bool, ) -> Result<(), Error> { if let Some(n) = num_threads { let pool = rayon::ThreadPoolBuilder::new() @@ -1210,10 +1035,10 @@ impl LindbladSpec { .build() .map_err(|e| Error::Internal(format!("rayon pool build: {e}")))?; pool.install(|| { - self.pc_step_inner(basis, coeffs, dt, tau_add, drop_tol, protected, opts, matrix_free) + self.pc_step_inner(basis, coeffs, dt, tau_add, drop_tol, protected) }) } else { - self.pc_step_inner(basis, coeffs, dt, tau_add, drop_tol, protected, opts, matrix_free) + self.pc_step_inner(basis, coeffs, dt, tau_add, drop_tol, protected) } } @@ -1230,9 +1055,7 @@ impl LindbladSpec { tau_add: f64, drop_tol: f64, protected: &[Word], - opts: ExpmOpts, num_threads: Option, - matrix_free: bool, ) -> Result { if let Some(n) = num_threads { let pool = rayon::ThreadPoolBuilder::new() @@ -1240,14 +1063,10 @@ impl LindbladSpec { .build() .map_err(|e| Error::Internal(format!("rayon pool build: {e}")))?; pool.install(|| { - self.pc_step_inner_timed( - basis, coeffs, dt, tau_add, drop_tol, protected, opts, matrix_free, - ) + self.pc_step_inner_timed(basis, coeffs, dt, tau_add, drop_tol, protected) }) } else { - self.pc_step_inner_timed( - basis, coeffs, dt, tau_add, drop_tol, protected, opts, matrix_free, - ) + self.pc_step_inner_timed(basis, coeffs, dt, tau_add, drop_tol, protected) } } @@ -1259,8 +1078,6 @@ impl LindbladSpec { tau_add: f64, drop_tol: f64, protected: &[Word], - opts: ExpmOpts, - matrix_free: bool, ) -> Result { let mut t = PcStepTimings::default(); @@ -1277,16 +1094,12 @@ impl LindbladSpec { } t.expand1_us = t0.elapsed().as_micros() as u64; - // Predictor: gencsr1 (or one_norm build for mf) + expm1. - // For matrix-free, the "gencsr" timer captures the one-norm pass. - // `coeffs` is read-only here, so we don't clone it — it serves as - // the pre-step input for the corrector below as well. + // Predictor: expm1. `coeffs` is read-only here, so we don't clone + // it — it serves as the pre-step input for the corrector below as + // well. let t0 = Instant::now(); - let coeffs_predict = self.expm_step(basis, dt, coeffs, opts, matrix_free); + let coeffs_predict = self.expm_step(basis, dt, coeffs); t.expm1_us = t0.elapsed().as_micros() as u64; - if !matrix_free { - t.gencsr1_us = 0; - } let t0 = Instant::now(); let leak2 = self.leakage_with_prune(basis, &coeffs_predict, protected, Some(tau_add))?; @@ -1303,11 +1116,8 @@ impl LindbladSpec { t.expand2_us = t0.elapsed().as_micros() as u64; let t0 = Instant::now(); - *coeffs = self.expm_step(basis, dt, coeffs, opts, matrix_free); + *coeffs = self.expm_step(basis, dt, coeffs); t.expm2_us = t0.elapsed().as_micros() as u64; - if !matrix_free { - t.gencsr2_us = 0; - } prune_basis(basis, coeffs, drop_tol, protected); @@ -1322,8 +1132,6 @@ impl LindbladSpec { tau_add: f64, drop_tol: f64, protected: &[Word], - opts: ExpmOpts, - matrix_free: bool, ) -> Result<(), Error> { // 1. First-hop expansion. After this, `coeffs` contains the pre-step // coefficients followed by zeros for the newly-added leakage strings. @@ -1338,7 +1146,7 @@ impl LindbladSpec { } // 2. Predictor: `expm_step` reads `coeffs` immutably and returns a // new owned vector with the predicted state. - let coeffs_predict = self.expm_step(basis, dt, coeffs, opts, matrix_free); + let coeffs_predict = self.expm_step(basis, dt, coeffs); // 3. Second-hop expansion from the predicted state. After leakage2 // we no longer need `coeffs_predict`. Extend `coeffs` with zeros for // any newly-added second-hop strings so it remains a valid input @@ -1352,7 +1160,7 @@ impl LindbladSpec { } } // 4. Corrector: redo from pre-step state on the doubly-enlarged basis. - *coeffs = self.expm_step(basis, dt, coeffs, opts, matrix_free); + *coeffs = self.expm_step(basis, dt, coeffs); // 5. Prune basis entries below `drop_tol` (protected words never dropped). prune_basis(basis, coeffs, drop_tol, protected); Ok(()) @@ -1360,21 +1168,9 @@ impl LindbladSpec { /// Compute `exp(dt · M) · b` for the in-basis-restricted generator `M`, /// matrix-free, via the external `quspin-expm` engine - /// ([`mf_expm::expm_apply_mf`]). - /// - /// `opts` and `matrix_free` are retained on the public [`Self::pc_step`] - /// surface for API stability (the Python bindings pass them), but the - /// real (`f64`) path is now unconditionally matrix-free and the - /// quspin engine selects its own truncation tolerance, so both are - /// ignored here. - fn expm_step( - &self, - basis: &[Word], - dt: f64, - b: &[f64], - _opts: ExpmOpts, - _matrix_free: bool, - ) -> Vec { + /// ([`mf_expm::expm_apply_mf`]). The generator is never materialised and + /// the quspin engine selects its own truncation tolerance. + fn expm_step(&self, basis: &[Word], dt: f64, b: &[f64]) -> Vec { mf_expm::expm_apply_mf(self, basis, dt, b) } diff --git a/crates/ppvm-lindblad/src/mf_expm.rs b/crates/ppvm-lindblad/src/mf_expm.rs index d2764bf62..3b1522edc 100644 --- a/crates/ppvm-lindblad/src/mf_expm.rs +++ b/crates/ppvm-lindblad/src/mf_expm.rs @@ -24,8 +24,8 @@ use quspin_types::{ExpmComputation, LinearOperator, QuSpinError}; use rayon::prelude::*; /// Borrowed matrix-free view of the in-basis-restricted Lindbladian -/// generator `M` (the same matrix [`LindbladSpec::generator_csr`] would -/// build, never materialised). +/// generator `M` (the in-basis-restricted generator `M`, never +/// materialised). /// /// Borrowed, not owned: `quspin-types` provides a blanket /// `LinearOperator` impl for `&T`, so `ExpmOp::from_parts(op, …)` accepts a diff --git a/crates/ppvm-python-native/src/lindblad.rs b/crates/ppvm-python-native/src/lindblad.rs index 3eb286afa..ec2930a11 100644 --- a/crates/ppvm-python-native/src/lindblad.rs +++ b/crates/ppvm-python-native/src/lindblad.rs @@ -15,7 +15,7 @@ use std::collections::HashMap; use num::Complex; use numpy::{IntoPyArray, PyArray1, PyArray2, PyArrayMethods, PyReadonlyArray1, PyReadonlyArray2}; use ppvm_lindblad::{ - ExpmOpts, JumpInput, LindbladSpec as CoreSpec, Word, codes_from_word, word_from_codes, + JumpInput, LindbladSpec as CoreSpec, Word, codes_from_word, word_from_codes, }; use pyo3::{exceptions::PyValueError, prelude::*}; @@ -207,11 +207,7 @@ impl LindbladSpec { basis, coeffs, dt, tau_add, drop_tol = 0.0, protected = None, - expm_tol = 1e-12, - parallel_threshold = 50_000, num_threads = None, - matrix_free = false, - max_krylov_m = None, ))] #[allow(clippy::too_many_arguments)] fn pc_step<'py>( @@ -223,11 +219,7 @@ impl LindbladSpec { tau_add: f64, drop_tol: f64, protected: Option>, - expm_tol: f64, - parallel_threshold: usize, num_threads: Option, - matrix_free: bool, - max_krylov_m: Option, ) -> PyResult> { let n_q = self.inner.n_qubits(); let basis_view = basis.as_array(); @@ -246,11 +238,6 @@ impl LindbladSpec { } else { Vec::new() }; - let opts = ExpmOpts { - tol: expm_tol, - parallel_threshold, - max_krylov_m, - }; self.inner .pc_step( &mut basis_words, @@ -259,9 +246,7 @@ impl LindbladSpec { tau_add, drop_tol, &protected_words, - opts, num_threads, - matrix_free, ) .map_err(map_err)?; @@ -276,11 +261,7 @@ impl LindbladSpec { basis, coeffs, dt, tau_add, drop_tol = 0.0, protected = None, - expm_tol = 1e-12, - parallel_threshold = 50_000, num_threads = None, - matrix_free = false, - max_krylov_m = None, ))] #[allow(clippy::too_many_arguments)] fn pc_step_timed<'py>( @@ -292,11 +273,7 @@ impl LindbladSpec { tau_add: f64, drop_tol: f64, protected: Option>, - expm_tol: f64, - parallel_threshold: usize, num_threads: Option, - matrix_free: bool, - max_krylov_m: Option, ) -> PyResult<(PyPauliMap<'py>, Bound<'py, pyo3::types::PyDict>)> { let n_q = self.inner.n_qubits(); let basis_view = basis.as_array(); @@ -315,11 +292,6 @@ impl LindbladSpec { } else { Vec::new() }; - let opts = ExpmOpts { - tol: expm_tol, - parallel_threshold, - max_krylov_m, - }; let timings = self .inner .pc_step_timed( @@ -329,9 +301,7 @@ impl LindbladSpec { tau_add, drop_tol, &protected_words, - opts, num_threads, - matrix_free, ) .map_err(map_err)?; diff --git a/ppvm-python/demo/lindblad_pc_scaling.py b/ppvm-python/demo/lindblad_pc_scaling.py index 80d00b5c9..f7c56c34b 100644 --- a/ppvm-python/demo/lindblad_pc_scaling.py +++ b/ppvm-python/demo/lindblad_pc_scaling.py @@ -124,7 +124,6 @@ def run_pc_steps(L_op, L, site0, dt, n_steps, tau_add, num_threads): dt, tau_add, protected=protected, - parallel_threshold=0, num_threads=num_threads, ) times.append(time.perf_counter() - t0) diff --git a/ppvm-python/src/ppvm/lindblad.py b/ppvm-python/src/ppvm/lindblad.py index ffdd94cf7..231499341 100644 --- a/ppvm-python/src/ppvm/lindblad.py +++ b/ppvm-python/src/ppvm/lindblad.py @@ -233,19 +233,14 @@ def pc_step_arr( drop_tol: float = 0.0, K: float = 5.0, protected_arr: np.ndarray | None = None, - expm_tol: float = 1e-12, - parallel_threshold: int = 50_000, num_threads: int | None = None, - matrix_free: bool = False, - max_krylov_m: int | None = None, ) -> tuple[np.ndarray, np.ndarray]: """One predictor-corrector adaptive step. All work — leakage expansion, matrix-exponential step, second-hop re-expansion, corrector — runs in Rust; SciPy is not required. - The matrix exponential uses Al-Mohy & Higham scaling-and-squaring - with rayon-parallel SpMV when the restricted generator has more - than ``parallel_threshold`` nonzeros. + The matrix-exponential action is computed matrix-free via the external + ``quspin-expm`` crate (Al-Mohy & Higham scaling-and-squaring). Tolerances. ``drop_tol`` prunes basis entries whose absolute coefficient is below this threshold after the corrector (unless @@ -259,20 +254,6 @@ def pc_step_arr( ``num_threads``, when set, pins this call to a freshly-built rayon pool of that size — useful for benchmarking parallel scaling. - ``matrix_free``, when ``True``, skips the per-step CSR build and - does each Krylov-Taylor SpMV by recomputing ``L*`` on the fly. - Saves ~CSR storage worth of RSS (significant once - ``n_basis ≳ 10⁵``); costs more compute per matvec, so wall is - higher except in the bandwidth-bound regime. Default ``False`` - keeps the CSR path. - - ``max_krylov_m``, when set, caps the Krylov-Taylor degree - ``m_star`` considered by the inner ``select_ms``. ``None`` - (default) uses the full table up to ``m=30``; smaller values - trade more outer scaling-and-squaring iterations (more matvecs) - for less Krylov scratch memory. Mostly relevant at large ``n`` - when ``m × n × 8 B`` of Krylov vectors dominates RSS. - Returns ``(new_basis_arr, new_coeffs)``; the basis may have grown (or shrunk, if ``drop_tol`` pruned entries). """ @@ -293,11 +274,7 @@ def pc_step_arr( float(tau_add), float(drop_tol), np.ascontiguousarray(protected_arr, dtype=np.uint8), - float(expm_tol), - int(parallel_threshold), None if num_threads is None else int(num_threads), - bool(matrix_free), - None if max_krylov_m is None else int(max_krylov_m), ) def rk4_step_arr( @@ -349,8 +326,6 @@ def pc_step( drop_tol: float = 0.0, K: float = 5.0, protected: Sequence[str] | None = None, - expm_tol: float = 1e-12, - parallel_threshold: int = 50_000, num_threads: int | None = None, ) -> tuple[list[str], np.ndarray]: """String-keyed variant of :meth:`pc_step_arr`.""" @@ -367,8 +342,6 @@ def pc_step( drop_tol, K, protected_arr, - expm_tol, - parallel_threshold, num_threads, ) return _codes_to_basis(new_basis_arr), new_coeffs From b07f75de9f245614e99d56f451c40e20b67cd871 Mon Sep 17 00:00:00 2001 From: alexschuckert Date: Wed, 17 Jun 2026 17:46:13 +0100 Subject: [PATCH 22/23] refactor(ppvm-lindblad): address PR #98 review comments MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit Maintainer-requested code-quality changes (PR #98): * PcStepConfig (new config.rs): bundle tau_add / drop_tol / num_threads into a config struct passed to pc_step / pc_step_timed (+ inner helpers), replacing the long parameter lists and the `#[allow(clippy::too_many_arguments)]`. The Python-facing kwargs are unchanged — the binding builds the config internally. * error.rs (new): move the `Error` enum + Display/Error impls out of lib.rs; re-exported as `ppvm_lindblad::Error` (public path unchanged). * leakage: merge via Rayon fold/reduce into thread-local maps instead of collecting a Vec and merging sequentially — lower peak memory. Keys and summed values are identical (FP reduction order differs at ~1e-16, well within test tolerances). * docs: explain the fixed-width `[u64; W_U64]` Word storage and MAX_QUBITS = 64 * W_U64. * demo: simplify the redundant position expression to `np.arange(L) - L//2`. Validated: cargo test --workspace --exclude ppvm-python-native (612 passed), cargo clippy clean (no too_many_arguments on the refactored fns), and the full Python suite (136 passed). Python public API unchanged. Co-Authored-By: Claude Opus 4.8 (1M context) --- crates/ppvm-lindblad/src/config.rs | 27 ++++ crates/ppvm-lindblad/src/error.rs | 76 +++++++++ crates/ppvm-lindblad/src/lib.rs | 181 +++++++++------------- crates/ppvm-python-native/src/lindblad.rs | 18 ++- ppvm-python/demo/lindblad_adaptive.py | 2 +- 5 files changed, 189 insertions(+), 115 deletions(-) create mode 100644 crates/ppvm-lindblad/src/config.rs create mode 100644 crates/ppvm-lindblad/src/error.rs diff --git a/crates/ppvm-lindblad/src/config.rs b/crates/ppvm-lindblad/src/config.rs new file mode 100644 index 000000000..0395fd195 --- /dev/null +++ b/crates/ppvm-lindblad/src/config.rs @@ -0,0 +1,27 @@ +// SPDX-FileCopyrightText: 2026 The PPVM Authors +// SPDX-License-Identifier: Apache-2.0 + +//! Configuration objects for the predictor-corrector stepper. + +/// Policy options for a single predictor-corrector step +/// ([`crate::LindbladSpec::pc_step`] / [`crate::LindbladSpec::pc_step_timed`]). +/// +/// These are the per-run *tuning knobs*, kept separate from the per-call data +/// (`basis`, `coeffs`, `dt`, `protected`) so the step functions don't grow an +/// unwieldy positional-argument list. +#[derive(Debug, Clone, Copy)] +pub struct PcStepConfig { + /// Leakage-rate threshold for basis growth: a leakage Pauli is appended to + /// the basis only if its `|coeff|` exceeds `tau_add`. Larger values keep the + /// basis smaller (faster, less accurate); it also drives the streaming + /// Cauchy-Schwarz prune in [`crate::LindbladSpec::leakage_with_prune`]. + pub tau_add: f64, + /// Magnitude prune applied after the corrector: basis entries whose + /// `|coeff|` is below `drop_tol` are discarded (protected words are always + /// kept). `drop_tol <= 0.0` disables pruning. + pub drop_tol: f64, + /// When `Some(n)`, run the entire step inside a freshly built rayon thread + /// pool of `n` threads (useful for benchmarking parallel scaling). When + /// `None`, the global rayon pool is used. + pub num_threads: Option, +} diff --git a/crates/ppvm-lindblad/src/error.rs b/crates/ppvm-lindblad/src/error.rs new file mode 100644 index 000000000..e0c1eb5f0 --- /dev/null +++ b/crates/ppvm-lindblad/src/error.rs @@ -0,0 +1,76 @@ +// SPDX-FileCopyrightText: 2026 The PPVM Authors +// SPDX-License-Identifier: Apache-2.0 + +//! Error type for [`crate::LindbladSpec`] construction and stepping. + +use crate::MAX_QUBITS; +use std::fmt; + +/// Errors raised when constructing a [`crate::LindbladSpec`]. +#[derive(Debug, Clone)] +pub enum Error { + TooManyQubits { + got: usize, + }, + LengthMismatch { + what: &'static str, + a: usize, + b: usize, + }, + InvalidPauliCode { + code: u8, + }, + InvalidPauliChar { + c: char, + }, + WrongLength { + expected: usize, + got: usize, + }, + NegativeRate { + index: usize, + rate: f64, + }, + EmptyLincomb { + index: usize, + }, + Internal(String), +} + +impl fmt::Display for Error { + fn fmt(&self, f: &mut fmt::Formatter<'_>) -> fmt::Result { + match self { + Error::TooManyQubits { got } => { + write!( + f, + "LindbladSpec supports n_qubits ≤ {MAX_QUBITS}; got {got}" + ) + } + Error::LengthMismatch { what, a, b } => { + write!(f, "{what}: expected matching lengths, got {a} and {b}") + } + Error::InvalidPauliCode { code } => write!( + f, + "Pauli code must be 0 (I), 1 (X), 2 (Z), or 3 (Y); got {code}" + ), + Error::InvalidPauliChar { c } => { + write!(f, "invalid Pauli character '{c}'; expected I, X, Y, or Z") + } + Error::WrongLength { expected, got } => { + write!(f, "Pauli string has length {got} but n_qubits = {expected}") + } + Error::NegativeRate { index, rate } => { + write!(f, "jump rate must be non-negative; got γ_{index} = {rate}") + } + Error::EmptyLincomb { index } => { + write!( + f, + "jump {index}: lincomb must contain at least one Pauli term" + ) + } + Error::Internal(msg) => write!(f, "internal error: {msg}"), + } + } +} + +impl std::error::Error for Error {} diff --git a/crates/ppvm-lindblad/src/lib.rs b/crates/ppvm-lindblad/src/lib.rs index e0a2e078f..7a0871815 100644 --- a/crates/ppvm-lindblad/src/lib.rs +++ b/crates/ppvm-lindblad/src/lib.rs @@ -37,94 +37,47 @@ use num::Complex; use ppvm_runtime::traits::PauliWordTrait; use ppvm_runtime::word::PauliWord; use rayon::prelude::*; -use std::fmt; use std::time::Instant; +pub mod config; +mod error; pub mod expm; mod mf_expm; -/// Words pack up to 128 qubits. +pub use config::PcStepConfig; +pub use error::Error; + +/// Number of 64-bit words used to back a [`Word`]'s X/Z bit-pair storage. +/// +/// A Pauli string is stored as a fixed-width `[u64; W_U64]` pair of bitsets +/// (one `u64` array for the X bits, one for the Z bits). Each `u64` packs 64 +/// qubits, so `W_U64` u64 words cover `64 · W_U64` qubits. The width is a +/// compile-time constant rather than a runtime-sized `Vec` on purpose: an +/// inline fixed array keeps the whole word in a single cache line, makes the +/// hot-path commutator/product loops branch-free over a known iteration count, +/// and gives O(1) clone/hash without heap indirection. Widen this constant +/// (and rebuild) to support more qubits at a proportional memory/per-op cost. const W_U64: usize = 2; -/// Maximum number of qubits supported by [`Word`] (= `8 · W_U64 · sizeof(u64)`). +/// Maximum number of qubits supported by [`Word`] (`= 64 · W_U64`). +/// +/// The fixed-width `[u64; W_U64]` bit-pair backing (see [`W_U64`]) packs 64 +/// qubits per `u64`, so the current `W_U64 = 2` covers up to 128 qubits. +/// There is nothing fundamental about the value — it is purely the storage +/// width chosen for cache-friendly O(1) Pauli ops. Constructing a +/// [`LindbladSpec`] (or any [`Word`]) for more than `MAX_QUBITS` qubits is +/// rejected with [`Error::TooManyQubits`] rather than silently truncated. pub const MAX_QUBITS: usize = 64 * W_U64; /// The Pauli-word storage type used throughout this crate. /// -/// `[u64; 2]` covers up to 128 qubits; the `FxBuildHasher` matches the +/// A fixed-width `[u64; W_U64]` bit-pair array (X bits + Z bits) packing up to +/// [`MAX_QUBITS`] qubits with no heap allocation, so commutator/product/hash +/// operations are cache-friendly and O(1). The `FxBuildHasher` matches the /// hash used by the `FxHashMap` keys we wrap with; `REHASH=true` means /// `set()` keeps the cached hash in sync. pub type Word = PauliWord<[u64; W_U64], FxBuildHasher, true>; -/// Errors raised when constructing a [`LindbladSpec`]. -#[derive(Debug, Clone)] -pub enum Error { - TooManyQubits { - got: usize, - }, - LengthMismatch { - what: &'static str, - a: usize, - b: usize, - }, - InvalidPauliCode { - code: u8, - }, - InvalidPauliChar { - c: char, - }, - WrongLength { - expected: usize, - got: usize, - }, - NegativeRate { - index: usize, - rate: f64, - }, - EmptyLincomb { - index: usize, - }, - Internal(String), -} - -impl fmt::Display for Error { - fn fmt(&self, f: &mut fmt::Formatter<'_>) -> fmt::Result { - match self { - Error::TooManyQubits { got } => { - write!( - f, - "LindbladSpec supports n_qubits ≤ {MAX_QUBITS}; got {got}" - ) - } - Error::LengthMismatch { what, a, b } => { - write!(f, "{what}: expected matching lengths, got {a} and {b}") - } - Error::InvalidPauliCode { code } => write!( - f, - "Pauli code must be 0 (I), 1 (X), 2 (Z), or 3 (Y); got {code}" - ), - Error::InvalidPauliChar { c } => { - write!(f, "invalid Pauli character '{c}'; expected I, X, Y, or Z") - } - Error::WrongLength { expected, got } => { - write!(f, "Pauli string has length {got} but n_qubits = {expected}") - } - Error::NegativeRate { index, rate } => { - write!(f, "jump rate must be non-negative; got γ_{index} = {rate}") - } - Error::EmptyLincomb { index } => { - write!( - f, - "jump {index}: lincomb must contain at least one Pauli term" - ) - } - Error::Internal(msg) => write!(f, "internal error: {msg}"), - } - } -} - -impl std::error::Error for Error {} - /// Per-phase timing breakdown (microseconds) returned by /// [`LindbladSpec::pc_step_timed`]. #[derive(Default, Clone, Copy, Debug)] @@ -614,11 +567,20 @@ impl LindbladSpec { const CHUNK_SIZE: usize = 4096; let mut merged: FxHashMap = FxHashMap::default(); for chunk_indices in order.chunks(CHUNK_SIZE) { - let local: Vec> = chunk_indices + // Rayon fold/reduce: each worker folds its share of the chunk into + // a thread-local `FxHashMap`, then maps are pairwise reduced. This + // avoids materialising the full `Vec>` of every + // term before merging — intermediates stay one-map-per-active-task + // instead of one-Vec-per-basis-element. The fold accumulator also + // carries the per-thread scratch buffers (`s1`, `s2`, `lm`) used by + // `compute_action_terms`, reused across all items folded by that + // task. Sum coefficients per key; identical final map. + let chunk_merged: FxHashMap = chunk_indices .par_iter() - .map_init( + .fold( || { ( + FxHashMap::::default(), Vec::::with_capacity(self.n_qubits), Vec::::with_capacity(128), FxHashMap::>::with_capacity_and_hasher( @@ -627,25 +589,30 @@ impl LindbladSpec { ), ) }, - |(s1, s2, lm), &i| { + |(mut acc, mut s1, mut s2, mut lm), &i| { let p = &basis[i]; let c = coeffs[i]; - let terms = self.compute_action_terms(p, s1, s2, lm); - let mut out = Vec::with_capacity(terms.len()); + let terms = self.compute_action_terms(p, &mut s1, &mut s2, &mut lm); for (w, v) in terms.iter() { let h = word_hash(w); if !in_basis.contains_key(&h) && !protected_set.contains_key(&h) { - out.push((w.clone(), c * *v)); + *acc.entry(w.clone()).or_insert(0.0) += c * *v; } } - out + (acc, s1, s2, lm) }, ) - .collect(); - for v in local { - for (k, val) in v { - *merged.entry(k).or_insert(0.0) += val; - } + .map(|(acc, ..)| acc) + .reduce(FxHashMap::default, |a, b| { + // Merge the smaller map into the larger to minimise work. + let (mut big, small) = if a.len() >= b.len() { (a, b) } else { (b, a) }; + for (k, val) in small { + *big.entry(k).or_insert(0.0) += val; + } + big + }); + for (k, val) in chunk_merged { + *merged.entry(k).or_insert(0.0) += val; } if tau_add.is_some() { @@ -1018,27 +985,25 @@ impl LindbladSpec { /// /// The matrix-exponential action is computed matrix-free via the external /// `quspin-expm` engine; the in-basis generator is never materialised. - #[allow(clippy::too_many_arguments)] + /// + /// Policy options (`tau_add`, `drop_tol`, `num_threads`) are bundled in + /// [`PcStepConfig`]. pub fn pc_step( &self, basis: &mut Vec, coeffs: &mut Vec, dt: f64, - tau_add: f64, - drop_tol: f64, protected: &[Word], - num_threads: Option, + cfg: PcStepConfig, ) -> Result<(), Error> { - if let Some(n) = num_threads { + if let Some(n) = cfg.num_threads { let pool = rayon::ThreadPoolBuilder::new() .num_threads(n) .build() .map_err(|e| Error::Internal(format!("rayon pool build: {e}")))?; - pool.install(|| { - self.pc_step_inner(basis, coeffs, dt, tau_add, drop_tol, protected) - }) + pool.install(|| self.pc_step_inner(basis, coeffs, dt, protected, cfg)) } else { - self.pc_step_inner(basis, coeffs, dt, tau_add, drop_tol, protected) + self.pc_step_inner(basis, coeffs, dt, protected, cfg) } } @@ -1046,27 +1011,25 @@ impl LindbladSpec { /// breakdown (microseconds), for profiling parallel scaling and hot /// spots. Output: `(leakage1, expand1, gencsr1, expm1, leakage2, /// expand2, gencsr2, expm2)`. - #[allow(clippy::too_many_arguments)] + /// + /// Policy options (`tau_add`, `drop_tol`, `num_threads`) are bundled in + /// [`PcStepConfig`]. pub fn pc_step_timed( &self, basis: &mut Vec, coeffs: &mut Vec, dt: f64, - tau_add: f64, - drop_tol: f64, protected: &[Word], - num_threads: Option, + cfg: PcStepConfig, ) -> Result { - if let Some(n) = num_threads { + if let Some(n) = cfg.num_threads { let pool = rayon::ThreadPoolBuilder::new() .num_threads(n) .build() .map_err(|e| Error::Internal(format!("rayon pool build: {e}")))?; - pool.install(|| { - self.pc_step_inner_timed(basis, coeffs, dt, tau_add, drop_tol, protected) - }) + pool.install(|| self.pc_step_inner_timed(basis, coeffs, dt, protected, cfg)) } else { - self.pc_step_inner_timed(basis, coeffs, dt, tau_add, drop_tol, protected) + self.pc_step_inner_timed(basis, coeffs, dt, protected, cfg) } } @@ -1075,10 +1038,12 @@ impl LindbladSpec { basis: &mut Vec, coeffs: &mut Vec, dt: f64, - tau_add: f64, - drop_tol: f64, protected: &[Word], + cfg: PcStepConfig, ) -> Result { + let PcStepConfig { + tau_add, drop_tol, .. + } = cfg; let mut t = PcStepTimings::default(); let t0 = Instant::now(); @@ -1129,10 +1094,12 @@ impl LindbladSpec { basis: &mut Vec, coeffs: &mut Vec, dt: f64, - tau_add: f64, - drop_tol: f64, protected: &[Word], + cfg: PcStepConfig, ) -> Result<(), Error> { + let PcStepConfig { + tau_add, drop_tol, .. + } = cfg; // 1. First-hop expansion. After this, `coeffs` contains the pre-step // coefficients followed by zeros for the newly-added leakage strings. // We rely on `coeffs` itself as the pre-step buffer for the corrector diff --git a/crates/ppvm-python-native/src/lindblad.rs b/crates/ppvm-python-native/src/lindblad.rs index ec2930a11..67db15d4a 100644 --- a/crates/ppvm-python-native/src/lindblad.rs +++ b/crates/ppvm-python-native/src/lindblad.rs @@ -15,7 +15,7 @@ use std::collections::HashMap; use num::Complex; use numpy::{IntoPyArray, PyArray1, PyArray2, PyArrayMethods, PyReadonlyArray1, PyReadonlyArray2}; use ppvm_lindblad::{ - JumpInput, LindbladSpec as CoreSpec, Word, codes_from_word, word_from_codes, + JumpInput, LindbladSpec as CoreSpec, PcStepConfig, Word, codes_from_word, word_from_codes, }; use pyo3::{exceptions::PyValueError, prelude::*}; @@ -243,10 +243,12 @@ impl LindbladSpec { &mut basis_words, &mut coeffs_vec, dt, - tau_add, - drop_tol, &protected_words, - num_threads, + PcStepConfig { + tau_add, + drop_tol, + num_threads, + }, ) .map_err(map_err)?; @@ -298,10 +300,12 @@ impl LindbladSpec { &mut basis_words, &mut coeffs_vec, dt, - tau_add, - drop_tol, &protected_words, - num_threads, + PcStepConfig { + tau_add, + drop_tol, + num_threads, + }, ) .map_err(map_err)?; diff --git a/ppvm-python/demo/lindblad_adaptive.py b/ppvm-python/demo/lindblad_adaptive.py index e6ee9dc1a..45c0ab6db 100644 --- a/ppvm-python/demo/lindblad_adaptive.py +++ b/ppvm-python/demo/lindblad_adaptive.py @@ -76,7 +76,7 @@ times = np.arange(steps + 1) * dt k_indices = np.arange(1, kmax + 1) k_modes = 2 * np.pi * k_indices / L -x = (np.arange(L) - L // 2 + L // 2) % L - L // 2 +x = np.arange(L) - L // 2 # %% [markdown] From f14edafc3fe8c599b70507f43a7d750312f8bdaa Mon Sep 17 00:00:00 2001 From: alexschuckert Date: Wed, 17 Jun 2026 17:58:04 +0100 Subject: [PATCH 23/23] refactor(ppvm-python-native): drop the mimalloc global allocator Per PR #98 review (Roger-luo): the global allocator is a peak-RSS optimization that doesn't belong in this feature PR. Removed here and moved to a dedicated PR off `main` so it can be reviewed/benchmarked on its own. Reverts to the system allocator; no behavior change (validated: lindblad Python suite still green). Co-Authored-By: Claude Opus 4.8 (1M context) --- Cargo.lock | 19 ------------------- crates/ppvm-python-native/Cargo.toml | 1 - crates/ppvm-python-native/src/lib.rs | 7 ------- 3 files changed, 27 deletions(-) diff --git a/Cargo.lock b/Cargo.lock index 136b70a2b..74b804317 100644 --- a/Cargo.lock +++ b/Cargo.lock @@ -1090,15 +1090,6 @@ version = "0.2.16" source = "registry+https://github.com/rust-lang/crates.io-index" checksum = "b6d2cec3eae94f9f509c767b45932f1ada8350c4bdb85af2fcab4a3c14807981" -[[package]] -name = "libmimalloc-sys" -version = "0.1.49" -source = "registry+https://github.com/rust-lang/crates.io-index" -checksum = "6a45a52f43e1c16f667ccfe4dd8c85b7f7c204fd5e3bf46c5b0db9a5c3c0b8e9" -dependencies = [ - "cc", -] - [[package]] name = "linux-raw-sys" version = "0.11.0" @@ -1146,15 +1137,6 @@ dependencies = [ "autocfg", ] -[[package]] -name = "mimalloc" -version = "0.1.52" -source = "registry+https://github.com/rust-lang/crates.io-index" -checksum = "2d4139bb28d14ad1facf21d5eb8825051b326e172d216b39f6d31df53cc97862" -dependencies = [ - "libmimalloc-sys", -] - [[package]] name = "ndarray" version = "0.17.2" @@ -1434,7 +1416,6 @@ dependencies = [ "bnum", "dashmap", "fxhash", - "mimalloc", "num", "numpy", "paste", diff --git a/crates/ppvm-python-native/Cargo.toml b/crates/ppvm-python-native/Cargo.toml index 4ae41a5a3..01987b189 100644 --- a/crates/ppvm-python-native/Cargo.toml +++ b/crates/ppvm-python-native/Cargo.toml @@ -10,7 +10,6 @@ crate-type = ["cdylib"] [dependencies] bnum = "0.13.0" -mimalloc = { version = "0.1", default-features = false } dashmap = "6.1.0" fxhash = "0.2.1" num = "0.4.3" diff --git a/crates/ppvm-python-native/src/lib.rs b/crates/ppvm-python-native/src/lib.rs index 6d868196d..9fd268994 100644 --- a/crates/ppvm-python-native/src/lib.rs +++ b/crates/ppvm-python-native/src/lib.rs @@ -1,13 +1,6 @@ // SPDX-FileCopyrightText: 2026 The PPVM Authors // SPDX-License-Identifier: Apache-2.0 -// mimalloc returns freed pages to the kernel more aggressively than the -// default system allocator. This materially reduces peak RSS for the -// allocation-heavy adaptive-Pauli paths (leakage + generator each -// allocate hundreds of MB of transient Vec data per pc_step). -#[global_allocator] -static GLOBAL: mimalloc::MiMalloc = mimalloc::MiMalloc; - use pyo3::prelude::*; pub mod interface;