From fed1b291291d405962ed00771de5e949d8c0cb9e Mon Sep 17 00:00:00 2001 From: Aaron Meyer Date: Tue, 1 Sep 2026 13:54:13 -0700 Subject: [PATCH 1/3] Add mkdocs documentation Adds an mkdocs-material site with an API reference (mkdocstrings) for every public module, matching the docs setup used across other meyer-lab Python repos (RISE, DDMC, parafac2). Co-Authored-By: Claude Sonnet 5 Claude-Session: https://claude.ai/code/session_01DCdnqsvzruAac1NCN9Thic --- docs/index.md | 111 +++++++ docs/reference/optimism.md | 3 + docs/reference/procedures.md | 3 + docs/reference/query.md | 3 + docs/reference/resample.md | 3 + docs/reference/seeds.md | 3 + docs/reference/store.md | 3 + docs/reference/uq.md | 3 + mkdocs.yml | 59 ++++ pyproject.toml | 7 + uv.lock | 554 +++++++++++++++++++++++++++++++++++ 11 files changed, 752 insertions(+) create mode 100644 docs/index.md create mode 100644 docs/reference/optimism.md create mode 100644 docs/reference/procedures.md create mode 100644 docs/reference/query.md create mode 100644 docs/reference/resample.md create mode 100644 docs/reference/seeds.md create mode 100644 docs/reference/store.md create mode 100644 docs/reference/uq.md create mode 100644 mkdocs.yml diff --git a/docs/index.md b/docs/index.md new file mode 100644 index 0000000..7618a5d --- /dev/null +++ b/docs/index.md @@ -0,0 +1,111 @@ +# bootstraptools + +> The population is to the sample as the sample is to the bootstrap samples + +Local storage, query, and uncertainty-quantification infrastructure for +**bootstrap experiments** that evaluate regression and classification model +performance. A bootstrap runner writes one run (B replicates) to a local +store, and downstream processing scripts query it back and compute point +estimates and confidence intervals **on demand**. + +`bootstraptools` is **model-agnostic**: it sees a model as a generic `fit` / +`predict_proba` object and stores whatever scalars and named arrays a runner +hands it. It is shaped around plain sklearn architectures, so other model +types may need gentle massaging (a `fit(X, y)` / `predict_proba(X) -> (n, +2)` shim and a way to slice examples) to plug in. + +```bash +uv sync # uv manages deps/venv +uv run pytest -q # full test suite +uv run python examples/reference_runner.py # end-to-end demo, prints CIs +``` + +## Data model + +| Concept | Meaning | On disk | +|---|---|---| +| **Store** | A root directory holding many runs. | `/runs/` | +| **Run** | One bootstrap experiment: B replicates for a `(dataset, model, procedure)` config, plus tags/config/summary. | `/runs//` | +| **Replicate** | One refit + evaluation: scalar metrics, per-sample predictions, resample membership, seeds, optional rich arrays / model state. | rows/files within a run | + +Per-run layout: + +``` +/runs// + meta.json # tags, config, procedure, dataset, model_label, seeds, + # universe_size, status, n_replicates, summary + replicates.parquet # 1 row / replicate: seeds, fit metadata, scalar metrics + predictions.parquet # 1 row / (replicate, sample): sample_idx, y_true, p, split + membership.parquet # 1 row / (replicate, sample, count>0) + apparent.parquet # opt-in: the full-data model's predictions on all n rows + arrays/replicate_XXXX.npz # opt-in rich per-replicate arrays + model_state/replicate_XXXX.npz # opt-in full fitted params (store_model_state=True) +``` + +Tables are [polars](https://github.com/pola-rs/polars)/parquet, arrays are +npz. `arrays/` and `model_state/` are written **immediately** per replicate +(durable if a long run crashes). + +## Writing a run + +`init` -> per-replicate `log_replicate` -> `finish`. The runner owns the +fit/predict loop. + +```python +import bootstraptools as bs + +seeds = bs.derive_seeds(RANDOM_SEED, ["dataset", "model", "bootstrap"]) +plans = bs.train_resample_holdout( + train_idx, val_idx, universe_size=n, n_replicates=100, + bootstrap_seed=seeds["bootstrap"], +) +fit_seeds = bs.replicate_seeds(seeds["model"], len(plans)) + +with bs.init(store, procedure="train_resample_holdout", dataset="bal", + model_label="ULTRA", + config={"rank": 4, "B": 100, "bootstrap_seed": seeds["bootstrap"]}, + tags=["fig3", "pooling"]) as run: + for plan in plans: + model.fit(bs.select(X, plan.fit_indices), y[plan.fit_indices]) + p = model.predict_proba(bs.select(X, plan.eval_indices))[:, 1] + run.log_replicate( + plan, + metrics={"brier": ..., "auroc": ...}, + y_true=y[plan.eval_indices], p=p, # -> predictions.parquet + arrays={"attn_entropy": ...}, # opt-in rich artifacts + model_fit_seed=fit_seeds[plan.replicate_idx], + ) +``` + +`log_replicate` pulls the replicate index / seed / membership from the +`ResamplePlan`. There is no fixed metric schema; column names are whatever +you pass. `bs.select(X, idx)` slices ndarrays (`X[idx]`) or lists of bags +(`[X[i] for i in idx]`). See the [procedures reference](reference/procedures.md) +for which procedure to pick, and the [resample reference](reference/resample.md) +for the variable-size draw primitives beneath them. + +## Querying results + +```python +runs = bs.query_runs(store, {"tags": "fig3", "dataset": "bal"}) # 1 row / run +tbl = bs.query_run_table(store, run_id, table="replicates") # one run's table +all_ = bs.load_runs_table(store, {"tags": "fig3"}, table="replicates") # concat + run_id col +membership = bs.membership_matrix(store, run_id) # dense (B, n) counts (for BCa) +``` + +`query_runs` filters (AND-ed) on `procedure`/`dataset`/`model_label`/`status`/ +`run_id`, on `tags`, and on any `config.`. config/summary flatten into +`config.*` / `summary.*` columns. + +## Comparing across runs (paired analyses) + +Represent any "same resample, different fit" axis as **separate runs +sharing the `bootstrap_seed`**: identical seeds give identical per-replicate +`fit_indices`, so the runs' replicates are row-joinable on `replicate_idx` +for paired comparisons. + +## Where to go next + +Browse the [API reference](reference/resample.md) for details on every +public function and class, or read `DOCS.md` in the repository for a deeper +walkthrough of the bootstrap procedures and reproducibility model. diff --git a/docs/reference/optimism.md b/docs/reference/optimism.md new file mode 100644 index 0000000..c264b38 --- /dev/null +++ b/docs/reference/optimism.md @@ -0,0 +1,3 @@ +# `bootstraptools.optimism` + +::: bootstraptools.optimism diff --git a/docs/reference/procedures.md b/docs/reference/procedures.md new file mode 100644 index 0000000..88fccbb --- /dev/null +++ b/docs/reference/procedures.md @@ -0,0 +1,3 @@ +# `bootstraptools.procedures` + +::: bootstraptools.procedures diff --git a/docs/reference/query.md b/docs/reference/query.md new file mode 100644 index 0000000..076aae0 --- /dev/null +++ b/docs/reference/query.md @@ -0,0 +1,3 @@ +# `bootstraptools.query` + +::: bootstraptools.query diff --git a/docs/reference/resample.md b/docs/reference/resample.md new file mode 100644 index 0000000..690c723 --- /dev/null +++ b/docs/reference/resample.md @@ -0,0 +1,3 @@ +# `bootstraptools.resample` + +::: bootstraptools.resample diff --git a/docs/reference/seeds.md b/docs/reference/seeds.md new file mode 100644 index 0000000..c7c342f --- /dev/null +++ b/docs/reference/seeds.md @@ -0,0 +1,3 @@ +# `bootstraptools.seeds` + +::: bootstraptools.seeds diff --git a/docs/reference/store.md b/docs/reference/store.md new file mode 100644 index 0000000..b1fb429 --- /dev/null +++ b/docs/reference/store.md @@ -0,0 +1,3 @@ +# `bootstraptools.store` + +::: bootstraptools.store diff --git a/docs/reference/uq.md b/docs/reference/uq.md new file mode 100644 index 0000000..4388392 --- /dev/null +++ b/docs/reference/uq.md @@ -0,0 +1,3 @@ +# `bootstraptools.uq` + +::: bootstraptools.uq diff --git a/mkdocs.yml b/mkdocs.yml new file mode 100644 index 0000000..c8660a5 --- /dev/null +++ b/mkdocs.yml @@ -0,0 +1,59 @@ +site_name: bootstraptools +site_description: Local storage, query, and uncertainty-quantification infrastructure for bootstrap experiments +repo_url: https://github.com/meyer-lab/bootstraptools +repo_name: meyer-lab/bootstraptools +edit_uri: edit/main/docs/ + +theme: + name: material + palette: + - media: "(prefers-color-scheme: light)" + scheme: default + primary: indigo + toggle: + icon: material/brightness-7 + name: Switch to dark mode + - media: "(prefers-color-scheme: dark)" + scheme: slate + primary: indigo + toggle: + icon: material/brightness-4 + name: Switch to light mode + features: + - navigation.sections + - navigation.top + - content.code.copy + - content.action.edit + +nav: + - Home: index.md + - API reference: + - Resampling: reference/resample.md + - Procedures: reference/procedures.md + - Seeds: reference/seeds.md + - Store: reference/store.md + - Query: reference/query.md + - Uncertainty quantification: reference/uq.md + - Optimism correction: reference/optimism.md + +markdown_extensions: + - admonition + - pymdownx.details + - pymdownx.superfences + - pymdownx.highlight + - tables + - toc: + permalink: true + +plugins: + - search + - mkdocstrings: + handlers: + python: + options: + docstring_style: google + show_source: true + show_root_heading: true + merge_init_into_class: true + show_signature_annotations: true + separate_signature: true diff --git a/pyproject.toml b/pyproject.toml index fcf8482..60b3d11 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -14,3 +14,10 @@ dependencies = [ "scikit-learn>=1.8.0", "scipy>=1.17.1", ] + +[dependency-groups] +docs = [ + "mkdocs>=1.6.1", + "mkdocs-material>=9.7.7", + "mkdocstrings[python]>=1.0.6", +] diff --git a/uv.lock b/uv.lock index f6c9be1..d9f53c5 100644 --- a/uv.lock +++ b/uv.lock @@ -2,6 +2,28 @@ version = 1 revision = 3 requires-python = ">=3.13" +[[package]] +name = "babel" +version = "2.18.0" +source = { registry = "https://pypi.org/simple" } +sdist = { 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Co-Authored-By: Claude Sonnet 5 Claude-Session: https://claude.ai/code/session_01DCdnqsvzruAac1NCN9Thic --- .github/workflows/docs.yml | 45 ++++++++++++++++++++++++++++++++++++++ 1 file changed, 45 insertions(+) create mode 100644 .github/workflows/docs.yml diff --git a/.github/workflows/docs.yml b/.github/workflows/docs.yml new file mode 100644 index 0000000..dca3e98 --- /dev/null +++ b/.github/workflows/docs.yml @@ -0,0 +1,45 @@ +name: Docs + +on: + push: + branches: [main] + +permissions: + contents: read + pages: write + id-token: write + +concurrency: + group: pages + cancel-in-progress: false + +jobs: + build: + runs-on: ubuntu-latest + steps: + - uses: actions/checkout@v4 + - name: Install uv + uses: astral-sh/setup-uv@v5 + with: + enable-cache: true + - name: Install dependencies + run: uv sync --group docs + - name: Build docs + run: uv run mkdocs build --strict + - name: Setup Pages + uses: actions/configure-pages@v5 + - name: Upload artifact + uses: actions/upload-pages-artifact@v3 + with: + path: site + + deploy: + needs: build + runs-on: ubuntu-latest + environment: + name: github-pages + url: ${{ steps.deployment.outputs.page_url }} + steps: + - name: Deploy to GitHub Pages + id: deployment + uses: actions/deploy-pages@v4 From 798bb929fe4d334c8af4fdc44ea09bad58f62307 Mon Sep 17 00:00:00 2001 From: "copilot-swe-agent[bot]" <198982749+Copilot@users.noreply.github.com> Date: Tue, 1 Sep 2026 21:09:28 +0000 Subject: [PATCH 3/3] Restrict test workflow permissions Co-authored-by: aarmey <2065146+aarmey@users.noreply.github.com> --- .github/workflows/test.yml | 3 +++ 1 file changed, 3 insertions(+) diff --git a/.github/workflows/test.yml b/.github/workflows/test.yml index 942698c..743b81e 100644 --- a/.github/workflows/test.yml +++ b/.github/workflows/test.yml @@ -4,6 +4,9 @@ on: push: pull_request: +permissions: + contents: read + jobs: build: runs-on: ubuntu-latest