diff --git a/.claude/CLAUDE.md b/.claude/CLAUDE.md index 758edc1..a8394b4 100644 --- a/.claude/CLAUDE.md +++ b/.claude/CLAUDE.md @@ -26,6 +26,20 @@ inference-time descent** into distribution-free reliability certificates. Read ## Phase map (see docs/EXPERIMENTS.md) -- Phase 0 skeleton ✅ / Phase 1 base reasoner ✅ (this pass) -- Phase 2 geometry features · Phase 3 conformal + halting · Phase 4 experiments/OOD/Modal - · Phase 5 paper — stubbed, `NotImplementedError` with a phase note until built. +- Phase 0 skeleton ✅ / Phase 1 base reasoner ✅ / Phase 2 geometry features ✅ +- Phase 3 conformal falsification + LTT abstention ✅ (E1: geometry beats energy, ΔAURC CI + excludes 0; F2/F3 regenerate from the ledger). +- Phase 4a robustness + K-ablation ✅ (`run_sweep` + `aggregate` + `make_tables` T1/T2/T3 + S1 + K-lift figure; S1: geometry lift grows monotonically with restarts, K=1≈EBT barely separates). +- Phase 4b adaptive halting ✅ (opt-in per-step decode + `halting.adaptive` CRC + F4; H1: ~58% + compute saved at halting risk ≤ α, no accuracy loss). Both guarantees now live. +- Phase 4c arithmetic figure set complete ✅ (F5 mechanism + F6 OOD stress; F6: selective risk + 0.075 ID vs 0.762 OOD — guarantee breaks under shift, motivating abstention). +- Phase 4d generalization ✅ (graph shortest-path task; E2: geometry beats energy 5/5 seeds, + ΔAURC +0.111 — discovery replicates on a 2nd structurally distinct family; per-task T1). +- Phase 4e baseline stress test ✅ ⚠️ (MSP/temp/entropy; geometry beats scalar energy 5/5 but + does NOT beat softmax confidence — ties arith, loses graph). Key caveat; see EXPERIMENTS.md. +- Phase 4f feature-group ablation ✅ (A1/T2b; basin agreement is the dominant driver, drop_energy≈full + so the win is non-energy features — rebuts "it's just energy"). +- Next: IRED landscape training (the priority lever from 4e) · E3/E4 · Modal · Phase 5 paper — + stubbed, `NotImplementedError` / Phase-1 placeholder until built. diff --git a/README.md b/README.md index e232db5..f389aa1 100644 --- a/README.md +++ b/README.md @@ -58,7 +58,7 @@ PYTHONPATH=src python -m edc.cli smoke --config configs/smoke.toml src/edc/ energy/ encoder → E_θ(h_x, z) → decoder (JAX/Flax) inference/ K-restart Langevin descent + trajectory logging - geometry/ basin · curvature (HVP) · energy stats · dynamics [Phase 2] + geometry/ basin · curvature (HVP) · energy stats · dynamics ✓ conformal/ Learn-then-Test (abstention) · Conformal Risk Control (halting) [Phase 3] halting/ adaptive compute policy [Phase 3] tasks/ synthetic reasoning families (+ OOD splits) @@ -67,12 +67,32 @@ src/edc/ configs/ experiments/ analysis/ results/ledger.jsonl tests/ docs/ paper/ ``` -## Status - -Phase 0 (skeleton) and Phase 1 (runnable base reasoner) are in. Geometry features, -the conformal layer, full experiments, and the paper are scaffolded and tracked in -[`docs/EXPERIMENTS.md`](docs/EXPERIMENTS.md). Current state: -[`docs/SESSION_HANDOFF.md`](docs/SESSION_HANDOFF.md). +## Status (v0.0.1) + +The full method and its distribution-free certificate machinery are implemented and tested +(offline, CPU): base reasoner (Phase 1), 14-feature landscape geometry (Phase 2), the conformal +layer — split-conformal, Learn-then-Test **selective prediction/abstention**, and Conformal Risk +Control **adaptive halting** (Phase 3, 4b) — a multi-seed experiment/sweep/table harness, and the +figure set F2–F6 + S1, all regenerable from `results/ledger.jsonl`. + +**Findings so far (honest).** +- **Geometry beats the EBT scalar energy** as a nonconformity score on two structurally distinct + tasks — arithmetic (E1) and graph shortest-path (E2) — with the paired-bootstrap ΔAURC CI + excluding 0 on 5/5 seeds each. This is the project's specific falsification target (invariant 8). +- The restart geometry is the mechanism: the lift **grows monotonically with K** (S1 ablation); + K=1 (≈ EBT, no basin geometry) barely separates. +- Both guarantees hold in-distribution (F2/F3 abstention validity, F4 halting saves ~58% compute + at a guaranteed error budget) and **break under distribution shift** (F6) — the argument for + abstention in critical systems. +- **Key caveat (Phase 4e):** geometry does **not** beat a standard *softmax-confidence* baseline + (MSP / temperature-scaled / entropy) — it ties on arithmetic and loses on graph. So the current + contribution is the certificate machinery + beating the EBT scalar-energy signal specifically, + **not** a universal win over all confidence signals. The likely lever — a fully-learned + **IRED-style landscape** (vs the current supervised basin-center reasoner) — is the priority next + experiment. + +Experiments and figures/tables: [`docs/EXPERIMENTS.md`](docs/EXPERIMENTS.md). Rolling state and next +steps: [`docs/SESSION_HANDOFF.md`](docs/SESSION_HANDOFF.md). Decisions: [`docs/DECISIONS.md`](docs/DECISIONS.md). ## License diff --git a/analysis/aggregate.py b/analysis/aggregate.py new file mode 100644 index 0000000..c671269 --- /dev/null +++ b/analysis/aggregate.py @@ -0,0 +1,118 @@ +"""Aggregate ``split='selective'`` ledger rows across seeds for the tables/figures. [Phase 4] + +Pure NumPy over already-computed per-seed metrics (invariant 6: everything derives from the +ledger; no re-training, no re-bootstrapping). The multi-seed ΔAURC is summarised from each row's +own point estimate + 95% CI — we report the mean±std over seeds and how many seeds' CIs exclude 0, +rather than pooling raw scores across seeds (which would break the per-run exchangeability). +""" + +from __future__ import annotations + +import numpy as np + +from edc.ledger import read_all + + +def selective_rows(rows: list[dict] | None = None, task: str | None = None) -> list[dict]: + """Latest ``split=='selective'`` row per ``(config_hash, seed)`` (cf. latest_per_config). + + ``task`` filters to one reasoning family (``row["task"]``) so multi-task ledgers do not + cross-contaminate per-K aggregates. + """ + if rows is None: + rows = read_all() + latest: dict[tuple[str, int], dict] = {} + for r in rows: + if r.get("split") == "selective" and (task is None or r.get("task") == task): + latest[(r["config_hash"], r["seed"])] = r # later rows win + return list(latest.values()) + + +def tasks_present(rows: list[dict] | None = None) -> list[str]: + """Sorted distinct task names among selective rows.""" + return sorted({r.get("task") for r in selective_rows(rows)} - {None}) + + +def _k(row: dict) -> int: + m = row["metrics"] + return int(m.get("k_restarts", row["config"]["inference"]["k_restarts"])) + + +def by_k(rows: list[dict] | None = None, task: str | None = None) -> dict[int, list[dict]]: + """Group selective rows by ``k_restarts`` (ascending), optionally filtered to one ``task``.""" + out: dict[int, list[dict]] = {} + for r in selective_rows(rows, task=task): + out.setdefault(_k(r), []).append(r) + return dict(sorted(out.items())) + + +def _ms(vals) -> tuple[float, float]: + a = np.asarray(vals, dtype=float) + return float(a.mean()), float(a.std(ddof=0)) + + +def aggregate_cell(rows_for_k: list[dict]) -> dict: + """Aggregate one K's per-seed rows into mean/std stats + the multi-seed verdict.""" + ms = [r["metrics"] for r in rows_for_k] + dvb = [m["delta_aurc_vs_best_energy"] for m in ms] # each [delta, lo, hi] + n = len(ms) + delta_mean, delta_std = _ms([d[0] for d in dvb]) + ci_excludes_0 = sum(1 for d in dvb if d[1] > 0.0) # lo > 0 => positive & CI clears 0 + geo_mean, geo_std = _ms([m["aurc"]["geometry"] for m in ms]) + best_mean, best_std = _ms([m["aurc"][m["best_energy_baseline"]] for m in ms]) + # vs the strongest of ALL baselines (energy + softmax); older rows fall back to energy. + dvbl = [m.get("delta_aurc_vs_best_baseline", m["delta_aurc_vs_best_energy"]) for m in ms] + dbl_mean, dbl_std = _ms([d[0] for d in dvbl]) + bl_ci = sum(1 for d in dvbl if d[1] > 0.0) + return { + "task": rows_for_k[0].get("task"), + "k_restarts": _k(rows_for_k[0]), + "n_seeds": n, + "seeds": sorted(r["seed"] for r in rows_for_k), + "run_ids": [r["run_id"] for r in rows_for_k], + "accuracy_id": _ms([m["accuracy_id"] for m in ms]), + "aurc_geometry": (geo_mean, geo_std), + "aurc_best_energy": (best_mean, best_std), + "best_energy_names": sorted({m["best_energy_baseline"] for m in ms}), + "best_baseline_names": sorted( + {m.get("best_baseline", m["best_energy_baseline"]) for m in ms}), + "delta_aurc": (delta_mean, delta_std), + "seeds_ci_excludes_0": ci_excludes_0, + "geometry_wins_all": bool(ci_excludes_0 == n and delta_mean > 0), + "delta_aurc_baseline": (dbl_mean, dbl_std), + "seeds_ci_excludes_0_baseline": bl_ci, + # True only when every row genuinely carried the Phase-4e baseline field (not a fallback). + "has_baseline": all("delta_aurc_vs_best_baseline" in m for m in ms), + # Feature-group leave-one-out ablation (Phase 4f), mean/std per subset over seeds. + "feature_ablation": ( + {k: _ms([m["feature_ablation"][k] for m in ms]) + for k in ms[0]["feature_ablation"]} + if all("feature_ablation" in m for m in ms) else {}), + "ltt_coverage": _ms([m["ltt"]["coverage"] for m in ms]), + "ltt_selective_risk": _ms([m["ltt"]["selective_risk"] for m in ms]), + "ltt_abstain_rate": _ms([m["ltt"]["abstain_rate"] for m in ms]), + } + + +def aggregate_by_k(rows: list[dict] | None = None, task: str | None = None) -> dict[int, dict]: + """``{K: aggregate_cell(...)}`` for every K present (optionally filtered to one ``task``).""" + return {k: aggregate_cell(v) for k, v in by_k(rows, task=task).items()} + + +def headline_cell(rows: list[dict] | None = None, task: str | None = None) -> dict: + """Aggregate the headline seed-sweep for a task: the largest single-config seed group. + + Prefers rows carrying the Phase-4e baseline field, then picks the ``config_hash`` group with the + most seeds — the multi-seed sweep — so T1 is not polluted by mixing fold sizes / configs that + happen to share a K value. Falls back to all rows for the task if none carry the field. + """ + sel = selective_rows(rows, task=task) + with_bl = [r for r in sel if "delta_aurc_vs_best_baseline" in r["metrics"]] + pool = with_bl or sel + # Group by the experiment config *excluding seed* (config_hash bakes in the seed). (K, n_test) + # separates a seed-sweep (many seeds, one fold size) from one-off full-fold runs at the same K. + groups: dict[tuple, list[dict]] = {} + for r in pool: + m = r["metrics"] + groups.setdefault((_k(r), m.get("n_test")), []).append(r) + return aggregate_cell(max(groups.values(), key=len)) diff --git a/analysis/figures/F2_risk_coverage.png b/analysis/figures/F2_risk_coverage.png new file mode 100644 index 0000000..f98c466 Binary files /dev/null and b/analysis/figures/F2_risk_coverage.png differ diff --git a/analysis/figures/F3_coverage_validity.png b/analysis/figures/F3_coverage_validity.png new file mode 100644 index 0000000..5884f20 Binary files /dev/null and b/analysis/figures/F3_coverage_validity.png differ diff --git a/analysis/figures/F4_halting_pareto.png b/analysis/figures/F4_halting_pareto.png new file mode 100644 index 0000000..68613ea Binary files /dev/null and b/analysis/figures/F4_halting_pareto.png differ diff --git a/analysis/figures/F5_feature_diagnostics.png b/analysis/figures/F5_feature_diagnostics.png new file mode 100644 index 0000000..6e66445 Binary files /dev/null and b/analysis/figures/F5_feature_diagnostics.png differ diff --git a/analysis/figures/F6_ood_stress.png b/analysis/figures/F6_ood_stress.png new file mode 100644 index 0000000..1e36b70 Binary files /dev/null and b/analysis/figures/F6_ood_stress.png differ diff --git a/analysis/figures/S1_k_restart_lift.png b/analysis/figures/S1_k_restart_lift.png new file mode 100644 index 0000000..f89d6a6 Binary files /dev/null and b/analysis/figures/S1_k_restart_lift.png differ diff --git a/analysis/make_figures.py b/analysis/make_figures.py index e7dc6e5..0bdde16 100644 --- a/analysis/make_figures.py +++ b/analysis/make_figures.py @@ -7,16 +7,41 @@ from __future__ import annotations +from pathlib import Path + +from edc import plotting from edc.ledger import read_all +FIG_DIR = Path(__file__).resolve().parent / "figures" + +# (filename, plotting fn). F1 (schematic) is TikZ; F4/F6 (halting, OOD stress) are Phase 4/5. +_FIGURES = [ + ("F2_risk_coverage.png", plotting.risk_coverage_curve), + ("F3_coverage_validity.png", plotting.coverage_validity), + ("F4_halting_pareto.png", plotting.halting_pareto), + ("F5_feature_diagnostics.png", plotting.feature_diagnostics), + ("F6_ood_stress.png", plotting.ood_stress), + ("S1_k_restart_lift.png", plotting.k_restart_lift), +] + def main() -> int: rows = read_all() print(f"[figures] {len(rows)} ledger rows available.") - raise NotImplementedError( - "Phase 3/5: emit F1..F6 via edc.plotting from the ledger. " - "Run `make smoke` first to populate results/ledger.jsonl." - ) + FIG_DIR.mkdir(parents=True, exist_ok=True) + n_ok = 0 + for fname, fn in _FIGURES: + out = FIG_DIR / fname + try: + fn(rows, str(out)) + except (ValueError, NotImplementedError, ImportError) as e: + print(f"[figures] skip {fname}: {e}") + continue + n_sel = sum(1 for r in rows if r.get("split") == "selective") + print(f"[figures] wrote {out} (from {n_sel} selective rows)") + n_ok += 1 + print(f"[figures] {n_ok}/{len(_FIGURES)} figures generated -> {FIG_DIR}") + return 0 if __name__ == "__main__": diff --git a/analysis/make_tables.py b/analysis/make_tables.py index 03b727b..9e9686c 100644 --- a/analysis/make_tables.py +++ b/analysis/make_tables.py @@ -1,18 +1,155 @@ -"""Regenerate LaTeX tables (T1..T3) from results/ledger.jsonl. [Phase 3/5] +"""Regenerate LaTeX tables (T1..T3) from results/ledger.jsonl. [Phase 4] -Main-results, ablation, and reproducibility-appendix tables, emitted to paper/. Reads only the -ledger. See paper/README.md for the table->claim map. +T1 main results (primary K, aggregated over seeds), T2 K-ablation, T3 reproducibility appendix. +Reads only the ledger (invariant 6) and writes ``\\input``-able ``.tex`` to ``paper/tables/``, each +with a provenance comment naming the run_ids it consumed. See paper/README.md for the table->claim +map. """ from __future__ import annotations +from edc.config import REPO_ROOT from edc.ledger import read_all +try: # sibling import when run as a script (analysis/ on sys.path) + from aggregate import aggregate_by_k, headline_cell, selective_rows, tasks_present +except ImportError: # pragma: no cover + from analysis.aggregate import aggregate_by_k, headline_cell, selective_rows, tasks_present + +TABLE_DIR = REPO_ROOT / "paper" / "tables" + + +def _esc(s: str) -> str: + return str(s).replace("_", r"\_") + + +def _pm(mean_std: tuple[float, float], nd: int = 3) -> str: + m, s = mean_std + return f"${m:.{nd}f} \\pm {s:.{nd}f}$" + + +def _tabular(header: list[str], rows: list[list[str]], colspec: str, caption: str, + label: str, provenance: str) -> str: + lines = [ + f"% auto-generated by analysis/make_tables.py — do not edit. {provenance}", + r"\begin{table}[t]", r" \centering", f" \\caption{{{caption}}}", f" \\label{{{label}}}", + f" \\begin{{tabular}}{{{colspec}}}", r" \toprule", + " " + " & ".join(header) + r" \\", r" \midrule", + ] + lines += [" " + " & ".join(r) + r" \\" for r in rows] + lines += [r" \bottomrule", r" \end{tabular}", r"\end{table}", ""] + return "\n".join(lines) + + +def _t1(rows: list[dict]) -> str: + """Main results, one row per task (each at its own primary K, aggregated over seeds). + + Reports geometry's ΔAURC against **both** the best raw-energy baseline (invariant-8 sacred test) + and the best of *all* baselines (energy + MSP + temperature + entropy), with the seeds-win count + for the stronger, all-baseline comparison. + """ + body, all_ids = [], [] + for task in tasks_present(rows): + a = headline_cell(rows, task=task) # largest same-config baseline-carrying sweep + win = f"{a['seeds_ci_excludes_0_baseline']}/{a['n_seeds']}" + body.append([ + _esc(task), str(a["k_restarts"]), _pm(a["accuracy_id"], 2), _pm(a["aurc_geometry"]), + _pm(a["delta_aurc"]), _pm(a["delta_aurc_baseline"]), win, _pm(a["ltt_coverage"], 2), + ]) + all_ids += a["run_ids"] + header = ["task", "$K$", "acc", "AURC geom", r"$\Delta$AURC vs energy", + r"$\Delta$AURC vs best base", "seeds win", "LTT cov"] + return _tabular( + header, body, "lrcccccc", + "Main selective-prediction results across reasoning families (mean$\\pm$std over seeds): " + "geometry's $\\Delta$AURC over the best raw-energy baseline and over the best of all " + "baselines (energy, MSP, temperature-scaled MSP, predictive entropy). $\\Delta$AURC $>0$ " + "with the CI clearing 0 means geometry wins; ``seeds win`` counts seeds beating the best " + "overall baseline.", + "tab:main", f"run_ids={all_ids}") + + +def _t2(agg: dict[int, dict]) -> str: + rows = [] + all_ids: list[str] = [] + for k, a in agg.items(): + rows.append([ + str(k), _pm(a["aurc_geometry"]), _pm(a["aurc_best_energy"]), _pm(a["delta_aurc"]), + f"{a['seeds_ci_excludes_0']}/{a['n_seeds']}", _pm(a["ltt_coverage"], 2), + ]) + all_ids += a["run_ids"] + header = ["$K$", "AURC geom", "AURC energy", r"$\Delta$AURC", "seeds win", "LTT cov"] + return _tabular( + header, rows, "rccccc", + "Restart ablation: does landscape geometry across $K$ restarts add signal over a single " + "descent ($K{=}1\\approx$ EBT)? Lift is $\\Delta$AURC $>0$ with the CI clearing 0.", + "tab:kablation", f"run_ids={all_ids}") + + +def _t2b(rows: list[dict]) -> str: + """Feature-group leave-one-out ablation (A1): AURC per subset, one column per task. + + ``full`` is the whole geometry vector; ``drop_energy`` is geometry *without* energy columns — + if it stays near ``full`` (and below raw energy), the basin/curvature/dynamics features are + genuinely carrying the win, not merely re-using energy. + """ + tasks = tasks_present(rows) + cells = {t: headline_cell(rows, task=t).get("feature_ablation", {}) for t in tasks} + variants = ["full", "drop_basin", "drop_energy", "drop_curv", "drop_dynamics"] + body = [] + for v in variants: + row = [_esc(v)] + for t in tasks: + fa = cells[t].get(v) + row.append(_pm(fa) if fa else "--") + body.append(row) + header = ["subset (AURC, lower=better)", *[_esc(t) for t in tasks]] + colspec = "l" + "c" * len(tasks) + return _tabular( + header, body, colspec, + "Feature-group leave-one-out ablation: test AURC of the geometry mapper refit on subsets " + "of the 14 features (mean$\\pm$std over seeds). ``drop\\_X`` removes that group; comparing " + "``drop\\_energy`` to ``full`` isolates the non-energy geometry contribution.", + "tab:ablation", "feature-group leave-one-out") + + +def _t3(rows: list[dict]) -> str: + sel = selective_rows(rows) + env = sel[-1]["env"] if sel else {} + body = [ + [_esc(r["run_id"]), str(r["seed"]), + str(r["metrics"].get("k_restarts", "?")), _esc(r["config_hash"]), _esc(r["git_sha"])] + for r in sorted(sel, key=lambda r: (r["metrics"].get("k_restarts", 0), r["seed"])) + ] + caption = (f"Reproducibility appendix. Env: python {env.get('python', '?')}, " + f"jax {env.get('jax', '?')} ({env.get('jax_backend', '?')}). " + f"Every row regenerates from seed + config via \\texttt{{run\\_sweep}}.") + return _tabular(["run\\_id", "seed", "$K$", "config hash", "git sha"], body, "lrrll", + caption, "tab:repro", f"n_rows={len(body)}") + def main() -> int: rows = read_all() - print(f"[tables] {len(rows)} ledger rows available.") - raise NotImplementedError("Phase 3/5: emit T1..T3 LaTeX from the ledger.") + tasks = tasks_present(rows) + print(f"[tables] {len(rows)} ledger rows; tasks = {tasks}") + if not tasks: + print("[tables] no split='selective' rows — run experiments/run_sweep.py first.") + return 0 + TABLE_DIR.mkdir(parents=True, exist_ok=True) + + # T2 (K-ablation) uses whichever task has a K-sweep (>1 distinct K); default the first. + kablation_task = next((t for t in tasks if len(aggregate_by_k(rows, task=t)) > 1), tasks[0]) + outputs = { + "T1_main.tex": _t1(rows), + "T2_kablation.tex": _t2(aggregate_by_k(rows, task=kablation_task)), + "T2b_feature_ablation.tex": _t2b(rows), + "T3_repro.tex": _t3(rows), + } + for name, tex in outputs.items(): + (TABLE_DIR / name).write_text(tex) + print(f"[tables] wrote {TABLE_DIR / name}") + print(f"[tables] {len(outputs)} tables -> {TABLE_DIR} (K-ablation task={kablation_task})") + return 0 if __name__ == "__main__": diff --git a/configs/experiments/arithmetic_halting.toml b/configs/experiments/arithmetic_halting.toml new file mode 100644 index 0000000..64b4106 --- /dev/null +++ b/configs/experiments/arithmetic_halting.toml @@ -0,0 +1,37 @@ +# Adaptive-halting experiment (Phase 4b, F4). Same task/inference as the selective E1 config, but +# per-step decoding is recorded (restarts.solve(record_steps=True)), so folds are kept modest to +# bound the extra decode memory on CPU. CRC calibrates the basin-agreement halting threshold at the +# alpha error budget; F4 is the compute-vs-accuracy Pareto. +[run] +task = "arithmetic" +seed = 0 +notes = "F4 adaptive-halting run" + +[task.arithmetic] +modular = false +n_operands = 6 +ood_n_operands = 6 +max_operand = 7 +ood_max_operand = 9 + +[model] +latent_dim = 32 +hidden_dim = 128 +context_dim = 64 + +[inference] +k_restarts = 12 +steps = 50 + +[train] +epochs = 7 +n_train = 6000 +n_neg = 4 + +[eval] +n_eval = 800 # test fold (per-step decode kept small) + +[conformal] +alpha = 0.1 # halting error budget: E[early answer != full answer] <= alpha +delta = 0.05 +n_calib = 800 # calibration fold diff --git a/configs/experiments/arithmetic_selective.toml b/configs/experiments/arithmetic_selective.toml index 3c66bdb..7f4a27c 100644 --- a/configs/experiments/arithmetic_selective.toml +++ b/configs/experiments/arithmetic_selective.toml @@ -1,15 +1,42 @@ -# Main selective-prediction experiment on arithmetic (Phase 3/4). -# Compares geometry nonconformity scores vs the raw-energy / MSP / MC-dropout / ensemble -# baselines under identical conformal calibration. Produces F2 (risk-coverage) + T1. +# E1 — main selective-prediction experiment on arithmetic (Phase 3). +# Compares the geometry nonconformity score vs the raw-energy / rho-basin baselines under +# identical conformal calibration, on three disjoint folds (fit / calib / test). Produces the +# ΔAURC falsification test (invariant 8), the LTT abstention guarantee, and F2/F3. +# +# Operating regime (docs/EXPERIMENTS.md): the task is tuned to ~75-82% ID base accuracy so AURC +# has error to remove (a saturated task ties every method). Base error there exceeds alpha=0.1, +# so the guarantee must genuinely abstain. OOD is a graceful magnitude shift (operands 0-7 -> 0-9, +# same operand count) rather than the degenerate operand-count extrapolation. [run] task = "arithmetic" -notes = "selective-prediction main run" +seed = 0 +notes = "E1 selective-prediction main run" + +[task.arithmetic] +modular = false +n_operands = 6 +ood_n_operands = 6 # OOD shift is magnitude, not operand count +max_operand = 7 # ID operands in [0, 7] +ood_max_operand = 9 # OOD operands in [0, 9] -> larger sums, low-sum region shared + +[model] +latent_dim = 32 +hidden_dim = 128 +context_dim = 64 [inference] -k_restarts = 16 # geometry needs several restarts; K=1 ~ EBT baseline +k_restarts = 12 # geometry needs several restarts; K=1 ~ the EBT baseline steps = 50 +[train] +epochs = 7 # tuned for the ~77% ID regime (base error > alpha, abstention exercised) +n_train = 6000 +n_neg = 4 + +[eval] +n_eval = 1500 # fit and test fold sizes + [conformal] -alpha = 0.1 -delta = 0.05 -n_calib = 2000 +alpha = 0.1 # target error rate among answered inputs +delta = 0.05 # LTT confidence: P(R_sel <= alpha) >= 1 - delta +n_calib = 1500 # calibration fold size (LTT power) diff --git a/configs/experiments/graph_selective.toml b/configs/experiments/graph_selective.toml new file mode 100644 index 0000000..bf3c062 --- /dev/null +++ b/configs/experiments/graph_selective.toml @@ -0,0 +1,36 @@ +# E2 — generalization: selective prediction on graph shortest-path (a relational reasoning family +# distinct from additive arithmetic). Tests whether geometry beats scalar energy beyond arithmetic. +# Tuned to ~72% ID base accuracy (majority-class baseline ~0.41, so this is real learning); OOD is a +# size shift (larger graphs) degrading to ~0.36. Inference/train mirror the arithmetic E1 config. +[run] +task = "graph_planning" +seed = 0 +notes = "E2 graph selective-prediction" + +[task.graph_planning] +n_nodes = 7 +ood_n_nodes = 10 # OOD = larger graphs (IRED-style size generalization) +edge_prob = 0.4 +max_len = 4 # classes: 0 = unreachable/farther, 1..4 = exact shortest-path length + +[model] +latent_dim = 32 +hidden_dim = 128 +context_dim = 64 + +[inference] +k_restarts = 12 +steps = 50 + +[train] +epochs = 25 # graph shortest-path needs more epochs than arithmetic to reach the regime +n_train = 8000 +n_neg = 4 + +[eval] +n_eval = 1500 + +[conformal] +alpha = 0.1 +delta = 0.05 +n_calib = 1500 diff --git a/configs/sweeps/arith_seeds.toml b/configs/sweeps/arith_seeds.toml new file mode 100644 index 0000000..c2da52d --- /dev/null +++ b/configs/sweeps/arith_seeds.toml @@ -0,0 +1,13 @@ +# Arithmetic multi-seed at K=12 with the Phase-4e baselines, matching graph_seeds.toml so T1's +# cross-task vs-best-baseline verdict is 5-seed on both tasks (the arithmetic K-sweep rows predate +# the softmax-confidence baselines). Reduced folds keep it fast; the full-fold E1 stays the F2-F6 +# headline (plotting._selective_row picks max n_test). +[sweep] +base = "configs/experiments/arithmetic_selective.toml" + +[sweep.override] +"eval.n_eval" = 600 +"conformal.n_calib" = 800 + +[sweep.grid] +"run.seed" = [0, 1, 2, 3, 4] diff --git a/configs/sweeps/graph_seeds.toml b/configs/sweeps/graph_seeds.toml new file mode 100644 index 0000000..90fe076 --- /dev/null +++ b/configs/sweeps/graph_seeds.toml @@ -0,0 +1,12 @@ +# E2 multi-seed: run the graph selective-prediction experiment across 5 seeds at K=12 for a +# credible ΔAURC generalization verdict (does geometry beat energy on graphs?). Reduced folds keep +# each cell fast on CPU and keep arithmetic's full-fold E1 (n_test=1500) as the F2-F6 headline. +[sweep] +base = "configs/experiments/graph_selective.toml" + +[sweep.override] +"eval.n_eval" = 600 +"conformal.n_calib" = 800 + +[sweep.grid] +"run.seed" = [0, 1, 2, 3, 4] diff --git a/configs/sweeps/k_restarts.toml b/configs/sweeps/k_restarts.toml index 7710dcf..4cb7f64 100644 --- a/configs/sweeps/k_restarts.toml +++ b/configs/sweeps/k_restarts.toml @@ -1,8 +1,16 @@ -# Sweep the number of restarts: K=1 (~EBT, no basin geometry) .. K=32. -# Tests the ablation "does restart geometry add signal over a single descent?" (invariant 8). +# S1 — sweep the number of restarts: K=1 (~EBT, no basin geometry) .. K=16, across 5 seeds. +# Tests the secondary falsifier "does restart geometry add signal over a single descent?" +# (invariant 8): K=1 has degenerate basin features (one restart), so the K>1 lift over K=1 is the +# ablation. Produces T2 (K-ablation) + the K-lift figure. K=32 dropped to bound curvature cost on +# CPU (add it back for the paper run). Folds are reduced (n_eval=600, n_calib=800) to keep each of +# the 25 cells ~1 min; AURC/ΔAURC (the ablation metric) is threshold-free and fine at n_test=600. [sweep] base = "configs/experiments/arithmetic_selective.toml" +[sweep.override] +"eval.n_eval" = 600 +"conformal.n_calib" = 800 + [sweep.grid] -"inference.k_restarts" = [1, 2, 4, 8, 16, 32] +"inference.k_restarts" = [1, 2, 4, 8, 16] "run.seed" = [0, 1, 2, 3, 4] diff --git a/docs/DECISIONS.md b/docs/DECISIONS.md index 5d876ca..46c96da 100644 --- a/docs/DECISIONS.md +++ b/docs/DECISIONS.md @@ -2,6 +2,149 @@ Short, dated, append-only. Newest first. +## 2026-07-27 — Phase 4f: feature-group leave-one-out ablation (which geometry features drive it) +**Decision:** `evaluate` computes a `feature_ablation` block — refit the logistic geometry mapper on +feature subsets (leave-one-group-out and group-only across basin/energy/curvature/dynamics) on the +fit fold and score the test fold (`_feature_ablation`). Aggregated over seeds and emitted as +`T2b_feature_ablation.tex`. **Why:** the geometry vector *includes* the 3 energy statistics, so +"geometry beats energy" could be partly re-using energy; `drop_energy` (geometry without its energy +columns) vs `full` isolates the genuine basin/curvature/dynamics contribution — directly probing the +Phase-4e caveat. Cheap (logistic on ≤14 features), no training-recipe risk. **Reversible?** Yes — +additive metric block; older rows aggregate to an empty ablation. +**Note:** full IRED annealed-landscape / score-matching training (the priority lever from 4e) is a +substantial research effort scoped as the next phase, not folded into the v0.0.1 release; the +release ships the complete certificate machinery + honest findings under the Phase-1 reasoner. + +## 2026-07-27 — Phase 4e: softmax-confidence baselines + a best-of-all-baselines falsification +**Decision:** add three standard softmax-confidence nonconformity baselines (`eval/baselines.py`) — +**MSP**, **temperature-scaled MSP**, and **predictive entropy** — computed from the mean decoder +logits over the K restarts. Temperature is fit on the **fit** fold only (invariant 7). `evaluate` +now reports AURC for these alongside the energy baselines, and adds +`delta_aurc_vs_best_baseline` (geometry vs the strongest of *all* baselines) with a bootstrap CI, +**in addition to** the sacred `delta_aurc_vs_best_energy` (invariant 8). T1 shows both ΔAURCs per +task. **Why:** "geometry beats energy" is vulnerable to "energy is a weak baseline"; a paper needs +geometry to beat a standard softmax confidence too. Mean-logit read-off gives one temperature- +scalable confidence vector per input; these are cheap (decoder logits already exist). **Deferred:** +MC-dropout and deep ensembles (need model/dropout changes or multiple trainings; the K-restart +best-of-N already supplies ensemble-like diversity). **Honesty:** the run records the verdict vs the +best baseline whatever it is; a tie with MSP would be reported, not hidden. **Reversible?** Yes — +additive scores + metric fields; aggregation falls back to the energy ΔAURC for pre-4e rows. + +## 2026-07-26 — Phase 4d: second task (graph shortest-path) + task-aware aggregation +**Decision:** the generalization task is **graph shortest-path length** (`tasks/graph_planning.py`): +random Erdős–Rényi graph, random `(source, target)`, label = BFS shortest-path length capped at +`max_len` (class 0 = unreachable/farther). Fixed `feature_dim` via `max_nodes` padding (flattened +adjacency ⊕ source/target one-hots) so one model spans the ID split (`n_nodes`) and the +size-generalization OOD (`ood_n_nodes` > it). Tuned to ID ≈ 0.72 (majority-class baseline ≈ 0.41 → +real learning) via `n_nodes=7, edge_prob=0.4, max_len=4, epochs=25`. `analysis/aggregate.py` gains a +`task` filter (and `tasks_present`) so multi-task ledgers do not cross-contaminate per-K aggregates; +`make_tables` T1 is now one row per task. **Why:** a relational/combinatorial family maximally +distinct from additive arithmetic is the strongest generalization test; edge density is the cleanest +difficulty knob (denser → shorter, more learnable paths); larger graphs are a natural covariate +shift. The whole E1 pipeline is task-agnostic, so the task rides `evaluate`/`run_sweep` unchanged. +**Reversible?** Yes — additive task + optional aggregation arg; arithmetic results untouched. + +## 2026-07-25 — Phase 4c: F6 exhibits the guarantee breaking OOD; F5 stores compact diagnostics +**Decision:** F6 (OOD stress) is produced by calibrating the LTT selective-risk threshold on the +**ID** calibration fold and then evaluating the achieved risk on the **OOD** test fold across the +α-sweep (`evaluate` gains `ood_validity` + an `ood_ltt` block, guarded by `include_ood`). F5 stores +`feature_diagnostics` = per-feature `single_feature_auroc` + 20-bin correct/incorrect histograms +(~850 numbers), **not** raw per-input features. **Why:** the exchangeability that the LTT/CRC +guarantees assume is exactly what a distribution shift violates, so applying the *ID-calibrated* +threshold to OOD is the honest way to show the guarantee failing (the argument for abstention in +critical systems); storing histograms keeps the figure regenerable from the ledger (invariant 6) +without bloating it. **Honesty:** F6 is a negative result by construction — the row records whatever +happened (`risk_within_budget`), it is never forced. **Reversible?** Yes — both are additive metric +blocks; `include_ood=False` (the sweep path) omits F6. + +## 2026-07-25 — Phase 4b: adaptive halting — opt-in per-step decodes, basin-agreement signal, λ=1−τ +**Decision:** Adaptive halting stops the descent when **basin agreement** (plurality fraction of +decoded answers across restarts) at a step crosses a threshold τ; the halting loss +`L = 1[early best-of-N ≠ full-budget best-of-N]` is CRC-calibrated via the existing +`conformal.crc.calibrate`. Three implementation choices: (1) per-step decoding is **opt-in** +(`langevin_descent(record_z=…)` → `restarts.solve(record_steps=…)` → optional +`TrajectoryRecord.step_pred`), so E1/sweep pay nothing and the descent is byte-identical with it off; +(2) the halting signal is **basin agreement** — the method's own geometry signal, not an ad-hoc +grad-norm proxy; (3) `halting.adaptive.calibrate` reparametrises **`lambda = 1 − tau`** so ascending +λ = lower agreement bar = stop earlier = weakly more errors + more compute saved, matching +`crc.calibrate`'s "largest admissible λ = most compute saved", and returns `tau_hat = 1 − lambda_hat`. +**Why:** confines JAX to the core (invariant 1), keeps the common paths cheap, and reuses the +tested CRC calibrator unchanged. **Monotonicity caveat:** CRC assumes risk monotone in the +threshold; `L(τ)` is monotone only in the limit (answers can flip), so `evaluate_halting` reports +the risk-vs-τ curve + a `risk_monotone_in_tau` flag, and `crc.calibrate` scans conservatively (no +cherry-picking dips). If materially non-monotone, LTT (already built) is the rigorous fallback — +we do not silently claim CRC validity. **Reversible?** Yes — `record_steps` defaults off; the +signal/threshold live behind `halting.adaptive`. + +## 2026-07-25 — Phase 4a: sweep harness (override+grid), reduced folds, multi-seed ΔAURC aggregation +**Decision:** `experiments/run_sweep.py` expands a `[sweep.grid]` of dotted keys (cartesian) over a +`base` config, with optional constant `[sweep.override]`; every cell reuses `run_experiment.run_and_append` +(the single train→evaluate→ledger path). The S1 K-sweep runs with **reduced folds** +(`eval.n_eval=600`, `conformal.n_calib=800`) and **`evaluate(include_ood=False)`** (3 folds not 4) to +keep 25 cells CPU-tractable. Multi-seed ΔAURC is aggregated in `analysis/aggregate.py` from each +row's **own point estimate + 95% CI** (mean±std over seeds; count of seeds whose CI excludes 0) — +**not** by pooling raw scores across seeds, which would break per-run exchangeability. **Why:** the +falsification metric (ΔAURC) is threshold-free and stable at n_test=600, so smaller folds are fine +for the ablation; each seed already carries a valid within-run bootstrap CI, so the honest +cross-seed summary is "how many seeds independently clear 0," not a re-bootstrap. **Reversible?** +Yes — folds/grid are config; `include_ood` defaults to True (E1 unchanged); K=32 can be re-added. + +## 2026-07-24 — Phase 3: LTT uses Bonferroni over a bounded grid, not ascending fixed-sequence +**Decision:** `conformal.ltt.calibrate` controls FWER with **Bonferroni** (`p(lambda) <= delta/m`) +over a bounded quantile grid of `m` candidate thresholds, and picks the max-coverage admissible +`lambda_hat`. **Why:** the selective risk `R_sel(lambda)` is non-monotone, and a fixed-sequence on +*ascending* lambda (the initial design) stalls immediately — the smallest thresholds answer ~1 +point, so Hoeffding-Bentkus has no power and the very first hypothesis fails. Bonferroni tests all +thresholds, so it finds the mid-range one that controls risk even when base error > alpha (the +regime where selective prediction is useful). Validity is confirmed by +`tests/test_conformal_ltt.py::test_ltt_coverage_guarantee` (0 violations over 250 draws). +**Reversible?** Yes — pass explicit `lambdas` or swap the correction behind the same signature. + +## 2026-07-24 — AURC is tie-robust (group-mean errors) +**Decision:** `eval.metrics` sorts by score and replaces each point's error with its **tie-group +mean** (expected risk under random tie-breaking) before sweeping coverage. **Why:** scores with few +distinct values (`rho_basin` has only K+1 levels) otherwise give an input-order-dependent AURC, +biasing the geometry-vs-energy comparison. Group-mean errors make AURC order-independent and make +"constant score => AURC = base error rate" exact. Standard split-conformal thresholds admit whole +tie-groups anyway, so the calibration layer is unaffected. + +## 2026-07-24 — 70-85% regime via plain-sum operand count; graceful OOD via a magnitude shift +**Decision:** E1 (`configs/experiments/arithmetic_selective.toml`) runs plain-sum arithmetic with +`n_operands=6, max_operand=7` and `epochs=7`, landing ID base accuracy ~77-81% (base error > alpha, +so abstention is genuinely exercised). OOD is a **magnitude covariate shift** (`ood_max_operand=9`, +same operand count) — a new `ArithmeticTask.ood_max_operand` knob. **Why:** the modular "grokking" +variant is bimodal (saturates or collapses to chance) and its operand-count OOD is always at chance; +plain-sum accuracy is smoothly tunable via epochs, and a magnitude shift keeps the low-sum region +in-distribution so OOD degrades *gracefully* (~20% acc, 15x chance) instead of the old degenerate +0.8% (5-operand sums hit label classes never trained). Feature/class dims cover both splits so one +model handles ID+OOD. **Reversible?** Yes — `ood_max_operand` defaults to `max_operand` (no shift). + +## 2026-07-24 — Phase 3 scope: falsification + abstention now; adaptive halting deferred +**Decision:** this pass built the selective-prediction falsification (AURC/ΔAURC + geometry mapper ++ LTT abstention + `evaluate`/`run_experiment` + F2/F3) and the pure `crc.calibrate`. The **halting +policy** (`halting.adaptive`) and figure **F4** are deferred. **Why:** halting needs per-step decoded +answers on `TrajectoryRecord` (a schema change), and the discovery claim — geometry beats scalar +energy — does not depend on it. `crc.calibrate` is implemented and tested so the conformal layer is +complete; only the trajectory-coupled policy waits. **Reversible?** Yes — additive when built. + +## 2026-07-24 — Geometry features are plain NumPy; curvature batching stays in the JAX core +**Decision:** `geometry/{basin,energy_stats,dynamics,features}.py` are pure NumPy over +`TrajectoryRecord` arrays. All JAX for the features — the per-particle HVPs and their `vmap` +over restarts — lives in a new `curvature.batched_curvature`, whose output `features.py` +converts straight back to NumPy. +**Why:** invariant 1 confines JAX to `energy/*`, `inference/*`, and `geometry/curvature.py`. +The stub docstrings' "computable under vmap over restarts" is met by fixed-shape vectorized +NumPy over the K axis (and real `jax.vmap` inside `curvature.py`). +**Reversible?** Yes — the feature functions take arrays, so a JAX rewrite behind the same +signatures is local if ever needed. + +## 2026-07-24 — `h_x` is stored on `TrajectoryRecord` +**Decision:** add `h_x (B, context_dim)` to `TrajectoryRecord`, populated in +`inference.restarts.solve`. **Why:** curvature at `z*` needs the per-input context, but +`geometry_features(traj, fns, params, key)` receives no `x`; storing the already-computed +`h_x` keeps that signature and avoids re-encoding. It is genuine raw material, consistent with +the record keeping the full descent rather than just the endpoint. + ## 2026-07-24 — JAX as the numeric core **Decision:** JAX/Flax for `energy/`, `inference/`, `geometry/curvature.py`; everything else plain Python behind `edc.energy.base.ReasonerFns`. diff --git a/docs/EXPERIMENTS.md b/docs/EXPERIMENTS.md index e351b39..4972541 100644 --- a/docs/EXPERIMENTS.md +++ b/docs/EXPERIMENTS.md @@ -6,21 +6,23 @@ Every experiment: config file → purpose → expected figure/table → status. | ID | Config | Purpose | Output | Status | |----|--------|---------|--------|--------| | E0 | `configs/smoke.toml` | Liveness: train→K-restart infer→decode on CPU <60s | ledger row | ✅ Phase 1 | -| E1 | `configs/experiments/arithmetic_selective.toml` | Geometry vs baselines, selective prediction on arithmetic | F2, T1 | ⏳ Phase 3 | -| E2 | (graph) | Same on graph planning | F2, T1 | ⏳ Phase 4 | +| D1 | `configs/smoke.toml` (`edc.cli geometry`) | Per-feature correct-vs-incorrect AUROC, geometry vs raw energy — F5 precursor | ledger row | ✅ Phase 2 | +| E1 | `configs/experiments/arithmetic_selective.toml` | Geometry vs baselines, selective prediction on arithmetic | F2, F3, T1 | ✅ Phase 3 | +| E2 | `configs/experiments/graph_selective.toml` (+`sweeps/graph_seeds.toml`) | Generalization: geometry vs energy on graph shortest-path | T1 | ✅ Phase 4d | | E3 | (logic) | Same on logic | F2, T1 | ⏳ Phase 4 | | E4 | (hard sudoku) | Stronger-result task, OOD split | F2, F6, T1 | ⏳ Phase 4 | -| S1 | `configs/sweeps/k_restarts.toml` | K=1..32: does restart geometry add signal? | F5, T2 | ⏳ Phase 4 | +| S1 | `configs/sweeps/k_restarts.toml` | K=1..16: does restart geometry add signal? | S1 fig, T2 | ✅ Phase 4a | +| H1 | `configs/experiments/arithmetic_halting.toml` | Adaptive halting: CRC compute-vs-accuracy | F4 | ✅ Phase 4b | | A1 | (ablation grid) | Feature-group leave-one-out; τ, curvature fidelity | T2 | ⏳ Phase 4 | ## Figures → claims (mirrored in `paper/README.md`) - **F1** method schematic (encode → K-restart descent → geometry → certificate) — TikZ, not data. -- **F2** risk–coverage curves per nonconformity score — **core selective-prediction result**. -- **F3** empirical coverage vs nominal 1−α — calibration validity (must sit on the diagonal). -- **F4** compute–accuracy tradeoff under adaptive halting. -- **F5** geometry-feature diagnostics: basin/curvature distributions, correct vs incorrect. -- **F6** distribution-shift stress: coverage/abstention under OOD difficulty. +- **F2** risk–coverage curves per nonconformity score — **core selective-prediction result**. ✅ +- **F3** empirical coverage vs nominal 1−α — calibration validity (must sit on the diagonal). ✅ +- **F4** compute–accuracy tradeoff under adaptive halting. ✅ +- **F5** geometry-feature diagnostics: basin/curvature distributions, correct vs incorrect. ✅ +- **F6** distribution-shift stress: selective risk holds ID, breaks under OOD → motivates abstention. ✅ - **T1** main results (accuracy, coverage, abstention rate, avg compute). - **T2** ablations (feature leave-one-out, K sweep). - **T3** reproducibility appendix (seeds, configs, env) — auto-generated from ledger. @@ -30,6 +32,110 @@ Every experiment: config file → purpose → expected figure/table → status. Paired-bootstrap 95% CI on `ΔAURC(raw terminal energy − geometry)`. If it includes 0, the core claim fails. Keep the raw-energy baseline in every selective experiment (invariant 8). +**E1 result (2026-07-24, run_id `c1557364f51d`, seed 0):** ID base acc 0.81 (regime ✓). The learned +geometry mapper **beats the best raw-energy baseline**: AURC 0.071 vs 0.145, `ΔAURC = +0.074`, 95% +CI `[+0.054, +0.093]` — **excludes 0, geometry wins.** LTT abstention at α=0.1, δ=0.05 answers 69% +of inputs at selective risk 0.075 ≤ 0.1 (base error 0.19 → the guarantee genuinely abstains). This +*reverses* the Phase-2 single-feature picture where `energy/std` out-separated any lone geometry +feature — the signal is in the **combined** geometry vector, exactly the paper's claim. Regenerate +F2/F3 with `make figures`. Single-seed so far; the ≥5-seed paired bootstrap is Phase 4. + +**S1 K-ablation (2026-07-25, 5 seeds/K, reduced folds n_test=600):** the geometry lift over the best +raw-energy baseline **grows monotonically with restarts** — exactly the mechanism the method claims: + +| K | AURC(geom) | ΔAURC (energy−geom) | seeds with CI excl. 0 | +|---|-----------|---------------------|-----------------------| +| 1 (≈EBT) | 0.123 | +0.026 ± 0.016 | **1/5** | +| 2 | 0.104 | +0.043 ± 0.024 | 3/5 | +| 4 | 0.082 | +0.062 ± 0.035 | 4/5 | +| 8 | 0.076 | +0.070 ± 0.033 | **5/5** | +| 16 | 0.051 | +0.083 ± 0.035 | **5/5** | + +K=1 — a single descent with no basin geometry (≈ the EBT baseline) — barely separates (1/5 seeds); +the **restart** geometry is what carries the signal. This confirms the secondary falsifier does *not* +fire: K>1 gives clear lift over K=1. (T2 also lists a K=12 row from the two full-fold E1 runs, which +sits on the same trend.) Regenerate T1/T2/T3 with `make tables`, the figure with `make figures`. + +## Adaptive halting — the second guarantee (H1 → F4) + +`L(τ) = 1[early-stopped best-of-N answer ≠ full-budget best-of-N answer]`, stopping when basin +agreement crosses τ; CRC picks the most compute-saving τ with `E[L] ≤ α`. + +**H1 result (2026-07-25, run_id `685d46f13e58`, seed 0):** CRC chose τ̂=0.917 at α=0.1 and the +empirical risk was **monotone in τ** (CRC's assumption held). At that operating point the descent +uses **42% of the step budget (57.8% compute saved)** with a halting risk of **0.9% ≤ α=10%** and +**no accuracy loss** (full 0.804 → halted 0.807). F4 is the compute-vs-accuracy Pareto; the CRC +point sits at the elbow. Both guarantees are now live: LTT abstention (E1) and CRC halting (H1). + +## OOD stress — the guarantee breaks under shift (F6, run_id `1acd65c19072`) + +The LTT selective-risk threshold is calibrated on the **ID** calib fold and applied to the **OOD** +test fold (magnitude shift `ood_max_operand`, OOD acc 0.21). At α=0.1 the achieved selective risk is +**0.075 ID (valid) vs 0.762 OOD** — the ID-calibrated threshold answers 66% of OOD inputs at 76% +error, so the guarantee is void once exchangeability breaks. F6 plots achieved-vs-target risk: ID on +the diagonal, OOD far above. This is the concrete argument for abstention/shift-detection in +critical systems (the guarantees are *marginal under exchangeability*, by design). **F5** shows the +mechanism: basin-agreement features (entropy, ρ) separate correct from incorrect best on arithmetic; +curvature separates weakly here — reported honestly. + +## E2 — generalization to a second reasoning family (graph shortest-path) + +Does the discovery replicate beyond additive arithmetic? Graph shortest-path length (BFS label, +larger-graph OOD) is a relational/combinatorial family; tuned to ID ≈ 0.70 (majority baseline ≈ 0.41). +**Result (2026-07-26, 5 seeds, `sweeps/graph_seeds.toml`):** geometry beats the best raw-energy +baseline on **5/5 seeds** — AURC 0.159 vs 0.270, `ΔAURC = +0.111 ± 0.054`, every seed's 95% CI +excludes 0. Alongside arithmetic (ΔAURC +0.083 ± 0.034, 5/5), the T1 table now shows the discovery +holds across **two structurally distinct tasks** — it is not an arithmetic artifact. (Caveat: on +graph the LTT abstention at α=0.1 with reduced calib folds certifies zero coverage — conservative, +not a failure; ΔAURC, the threshold-free ranking metric, is the generalization evidence.) + +## Baseline stress test — geometry vs standard softmax confidence (Phase 4e) ⚠️ **key caveat** + +Until now geometry was only compared against scalar **energy**. Adding the standard +softmax-confidence baselines the plan calls for — **MSP, temperature-scaled MSP, predictive +entropy** (from the decoder logits) — sharply bounds the claim. Over 5 seeds per task +(`arith_seeds.toml` / `graph_seeds.toml`): + +| task | ΔAURC vs best **energy** (5 seeds) | ΔAURC vs best **overall baseline** (5 seeds) | +|------|-----------------------------------|----------------------------------------------| +| arithmetic | **+0.085 ± 0.036** — geometry wins 5/5 | **−0.011 ± 0.006** — geometry wins **0/5** | +| graph | **+0.111 ± 0.054** — geometry wins 5/5 | **−0.034 ± 0.008** — geometry wins **0/5** | + +**Verdict.** The invariant-8 sacred test holds: geometry beats the EBT **scalar energy** on both +tasks, all seeds. But the *broader* claim does **not** survive — a plain softmax-confidence baseline +(MSP / entropy / temperature) **ties geometry on arithmetic and beats it on graph** (F2 shows +geometry, MSP, and entropy overlapping at the bottom, all far below energy). So: **landscape geometry +beats scalar energy but is not a better nonconformity score than softmax confidence** under the +current reasoner. This is a real, reported limitation, not a bug. + +**Which geometry features drive it? (A1 feature ablation → T2b, 5 seeds/task).** The geometry +vector *includes* the 3 energy statistics, so does the win over raw energy just re-use energy? +Leave-one-group-out AURC (lower = better) says no: + +| subset | arithmetic AURC | graph AURC | +|--------|-----------------|-----------| +| full (14 feats) | 0.059 | 0.159 | +| **drop energy** | **0.062** | **0.162** | +| drop curvature | 0.063 | 0.160 | +| drop dynamics | 0.064 | 0.187 | +| drop basin | **0.110** | **0.175** | +| *(best raw energy)* | *0.144* | *0.270* | + +`drop_energy ≈ full` and both far below raw energy → the win is **genuinely from the non-energy +features**, not re-using energy. **Basin agreement is the dominant driver** on both tasks (removing +it nearly doubles arithmetic AURC toward the energy level); descent **dynamics** helps too (most on +graph); curvature adds little here. This is the mechanism behind the invariant-8 win — and it is +consistent with F5. (It does not change the 4e caveat: basin/dynamics beat *energy* but not softmax.) + +**Likely cause of the softmax tie + the lever.** The reasoner is the Phase-1 **supervised +basin-center** model with a +shallow decoder — its softmax is already informative, leaving little for geometry to add beyond +energy. The research plan's **Phase-4 IRED annealed-landscape / score-matching training** is the +intended fix: a genuinely learned, multi-basin landscape should make restart geometry carry signal +the softmax does not. Re-running this baseline stress test under IRED training is the priority next +experiment (see SESSION_HANDOFF). MC-dropout / deep ensembles remain deferred (the K-restart +best-of-N already supplies ensemble-like diversity). + ## Operating regime Tune each task's difficulty so base accuracy is **70–85%**. Fully-solved tasks saturate AURC and diff --git a/docs/SESSION_HANDOFF.md b/docs/SESSION_HANDOFF.md index d354f5d..0b73f6a 100644 --- a/docs/SESSION_HANDOFF.md +++ b/docs/SESSION_HANDOFF.md @@ -2,7 +2,7 @@ **Start here.** Rolling state of the project between sessions. -## Current state (2026-07-24) +## Current state (2026-07-25) - **Phase 0 (skeleton): ✅** repo tree, `uv`/`pyproject.toml`, `Makefile`, CI, config system (`edc.config`), deterministic seeding (`edc.seeding`), append-only ledger (`edc.ledger`), @@ -12,24 +12,93 @@ arithmetic task (`edc.tasks.arithmetic`). `make smoke` runs end-to-end on CPU and appends a ledger row. HVP curvature primitive (`edc.geometry.curvature`) implemented + tested early because it is the method's crux. -- **Phases 2–5: stubbed** with `NotImplementedError` + phase notes. +- **Phase 2 (geometry features): ✅** `edc.geometry.{basin,energy_stats,dynamics}` (plain + NumPy, invariant 1) + `features.geometry_features` assembling a 14-feature per-input vector + (basin 3 · energy 3 · curvature 4 · dynamics 4). Curvature is batched over particles by the + new `curvature.batched_curvature` (the only JAX in the feature path). `TrajectoryRecord` now + carries `h_x` so curvature can be recomputed at `z*`. `edc.cli geometry` prints per-feature + correct-vs-incorrect AUROC (geometry vs the raw-energy baseline) and appends a ledger row. +- **Phase 3 (conformal + falsification + abstention): ✅** `eval.metrics` (`risk_coverage_curve`, + tie-robust `aurc`, `paired_bootstrap_delta_aurc`, `selective_accuracy_at_coverage`, `ece`); + `conformal.nonconformity` (sklearn logistic mapper + `1−ρ_basin` fallback), `conformal.selective`, + `conformal.ltt` (Hoeffding-Bentkus p-value + Bonferroni LTT), `conformal.crc.calibrate`; + `eval.evaluate` (disjoint fit/calib/test folds) + `experiments/run_experiment.py`; F2/F3 in + `plotting` + `analysis/make_figures.py`. **E1 ran: geometry beats raw energy** (ΔAURC +0.074, 95% + CI [+0.054, +0.093]); LTT holds (69% coverage @ selective risk 0.075 ≤ α=0.1). See EXPERIMENTS.md. +- **Phase 4a (robustness + K-ablation + reporting): ✅** `experiments/run_sweep.py` (grid+override, + reuses `run_experiment.run_and_append`; `evaluate(include_ood=False)` for cheaper cells), + `analysis/aggregate.py` (multi-seed ledger aggregation), `analysis/make_tables.py` (T1/T2/T3 → + `paper/tables/*.tex`), and the S1 K-lift figure. **S1 ran (5 seeds × K∈{1,2,4,8,16}):** the ΔAURC + lift grows monotonically with K — K=1 (≈EBT) separates on only 1/5 seeds, K≥8 on 5/5. The + restart geometry is the mechanism; the "K>1 gives no lift" falsifier does not fire. See EXPERIMENTS.md. +- **Phase 4b (adaptive halting — the second guarantee): ✅** opt-in per-step decoding + (`optimizer.record_z` → `restarts.solve(record_steps=)` → `TrajectoryRecord.step_pred`), + `halting.adaptive` (basin-agreement policy + CRC calibration via the built `crc.calibrate`, + `λ=1−τ`), `eval.evaluate_halting`, `experiments/run_halting.py`, F4 in plotting/make_figures. + **H1 ran:** CRC τ̂=0.917 saves **57.8% compute** at halting risk **0.9% ≤ α=0.1**, no accuracy + loss, risk monotone in τ. Both guarantees now live (LTT abstention + CRC halting). +- **Phase 4c (arithmetic figure set complete — F5 + F6): ✅** `evaluate` gained `feature_diagnostics` + (F5) and `ood_validity`/`ood_ltt` (F6, ID-calibrated λ applied to OOD); `plotting.feature_diagnostics` + + `plotting.ood_stress`; F5/F6 in make_figures. **F6:** at α=0.1 selective risk is 0.075 ID (valid) + vs **0.762 OOD** — the guarantee breaks under shift, motivating abstention. **F5:** basin-agreement + features separate correct/incorrect best; curvature weak on arithmetic (reported honestly). +- **Phase 4d (generalization — 2nd task): ✅** `GraphPlanningTask` (BFS shortest-path, larger-graph + OOD; `tasks/graph_planning.py`), task-aware `analysis.aggregate` + per-task `make_tables` T1, + `configs/experiments/graph_selective.toml` + `sweeps/graph_seeds.toml`. **E2 (5 seeds):** geometry + beats energy on **5/5 seeds**, ΔAURC +0.111±0.054 (vs arithmetic +0.083±0.034) — the discovery + replicates on a structurally distinct family. `plotting.k_restart_lift` made task-aware so graph's + fixed-K rows don't contaminate the arithmetic S1 figure. +- **Phase 4e (baseline stress test — softmax confidence): ✅ ⚠️ key caveat.** Added MSP, + temperature-scaled MSP, predictive-entropy baselines (`eval/baselines.py`), a + `delta_aurc_vs_best_baseline` falsification, task-aware `headline_cell`, per-task T1 with both + ΔAURCs. **Result (5 seeds/task):** geometry beats scalar **energy** (invariant 8 ✓: +0.085 + arithmetic, +0.111 graph, 5/5 each) but does **not** beat softmax confidence — ΔAURC vs best + baseline is −0.011 (arith, 0/5) and −0.034 (graph, 0/5). MSP/entropy tie-or-beat geometry (F2). + **The "geometry is the best nonconformity score" claim fails against softmax confidence** under + the Phase-1 basin-center reasoner. Likely cause: shallow decoder + simple landscape → softmax + already informative. **Lever: Phase-4 IRED landscape training** (below). +- **Phase 4f (feature-group ablation — A1/T2): ✅** `evaluate` computes `feature_ablation` + (leave-one-group-out + group-only mappers); aggregated → `T2b_feature_ablation.tex`. **Result + (5 seeds/task):** `drop_energy` ≈ `full` and both far below raw energy → geometry's win over + energy is from the **non-energy** features; **basin agreement is the dominant driver** (dynamics + second, esp. graph; curvature/energy minor). Rebuts "it's just energy"; consistent with F5. +- **Deferred / Phase 5: stubbed.** IRED landscape training (priority lever, below), Modal, paper. ## What is real vs stub -- Real: config/seeding/ledger, arithmetic task, energy/encoder/decoder, Langevin - optimizer+restarts, training loop, curvature HVP/λ_max/trace, split-conformal threshold. -- Stub: geometry `features/basin/energy_stats/dynamics`, conformal `ltt/crc/selective/ - nonconformity`, halting, eval, graph/logic/hard tasks, experiment/sweep/modal runners, - figure/table generators. +- Real: config/seeding/ledger, arithmetic task (+`ood_max_operand` shift) + **graph shortest-path + task** (size-shift OOD), energy/encoder/decoder, Langevin optimizer+restarts (opt-in per-step + decode), training loop, + curvature HVP/λ_max/trace + batched wrapper, **all geometry features + assembly**, + `single_feature_auroc`, `edc.cli geometry`; **the full selective-prediction stack**: AURC/ΔAURC, + nonconformity mapper, split-conformal/LTT/CRC, `eval.evaluate`, `run_experiment.py`, F2/F3; + **the sweep/aggregation/tables stack**: `run_sweep.py`, `analysis.aggregate`, `make_tables` + (T1–T3), S1 K-lift figure; **adaptive halting**: `halting.adaptive`, `eval.evaluate_halting`, + `run_halting.py`, F4; **F5 mechanism + F6 OOD stress** (`feature_diagnostics`, `ood_validity`); + **softmax-confidence baselines** (`eval/baselines.py`: MSP/temp/entropy). +- Stub: **IRED landscape training** (`train/losses.py` is still the Phase-1 basin-center scheme), + logic/hard tasks (E3/E4), Modal runner, paper write-up. -## Next steps (Phase 2) +## Next steps (Phase 4f) — reoriented by the 4e caveat -1. Implement `edc.geometry.{basin,energy_stats,dynamics}` from `TrajectoryRecord`; assemble in - `features.geometry_features` (must run under `vmap` over restarts). -2. Add `tests/test_geometry_features.py` (shapes, invariances) + an F5-style diagnostic showing - geometry separates correct vs incorrect on arithmetic. -3. Then Phase 3: nonconformity mapper → LTT/CRC → selective/halting, with the coverage-validity - test and the ΔAURC falsification harness. +1. **IRED landscape training (the priority).** Replace the supervised basin-center loss + (`train/losses.py`) with an IRED-style annealed-landscape / denoising-score-matching objective so + the energy is a genuinely learned multi-basin surface. Hypothesis: restart geometry then carries + signal the (now less-informative) softmax does not. **Re-run the 4e baseline stress test** — this + is the make-or-break experiment for the discovery's practical claim. +2. **If geometry still ties softmax:** reframe honestly — the contribution is the distribution-free + *certificate* machinery (LTT/CRC + F2–F6) over an EBM reasoner, with geometry beating the EBT + scalar-energy signal specifically (invariant 8), not a universal win over all confidences. + +3. **Lower priority (after the IRED verdict):** a 3rd task (logic/sudoku, E3/E4) for more + generalization; full-fold ≥5-seed E1 for a headline T1; paper write-up (figure set F2–F6/S1 and + tables T1–T3 are complete for arithmetic + graph). + +## Operating regime note + +E1 is tuned to ~77–81% ID base accuracy via `n_operands=6, max_operand=7, epochs=7` (base error > +α, so abstention is genuinely exercised). The smoke config saturates (~97%) and its `n_calib=128` is +too small for LTT to certify — that is expected, not a bug; use the E1 config for real numbers. ## Invariants to keep green diff --git a/experiments/run_experiment.py b/experiments/run_experiment.py index a4f76b9..8e8bffc 100644 --- a/experiments/run_experiment.py +++ b/experiments/run_experiment.py @@ -1,21 +1,85 @@ -"""Run a single named experiment from a config and append a ledger row. [Phase 4] +"""Run a single named experiment from a config and append a ledger row. [Phase 3] PYTHONPATH=src python experiments/run_experiment.py configs/experiments/.toml -Phase 1 uses ``edc.cli smoke`` for the train->infer->accuracy path. This runner adds the full -geometry + conformal evaluation (``edc.eval.evaluate``) once Phase 3 lands. +Trains the reasoner, runs the disjoint-fold geometry-vs-energy selective-prediction evaluation +(``edc.eval.evaluate``), and appends one ``split="selective"`` row to results/ledger.jsonl. The +falsification verdict (does geometry beat raw energy in ΔAURC?) and the LTT abstention guarantee +live in that row's ``metrics``; figures/tables regenerate from it (invariant 6). + +``run_and_append`` is the shared train->evaluate->ledger step; ``experiments/run_sweep.py`` reuses +it for every grid cell. """ from __future__ import annotations +import datetime as _dt import sys +import uuid + +from edc.config import load_config +from edc.eval.evaluate import evaluate +from edc.ledger import RunRecord, append +from edc.registry import build_task + + +def run_and_append(cfg, task, *, include_ood: bool = True, quiet: bool = False) -> dict: + """Train + evaluate ``cfg`` and append one ``split="selective"`` ledger row; return the row. + + The single source of truth for turning a resolved config into a recorded result — used by both + the single-experiment CLI and the sweep runner so they cannot drift. Stamps wall-clock time + here (keeping ``edc.ledger`` pure). + """ + m = evaluate(cfg, task, include_ood=include_ood) + if not quiet: + _print_summary(cfg, m) + row = append(RunRecord( + run_id=uuid.uuid4().hex[:12], + timestamp=_dt.datetime.now(_dt.UTC).isoformat(), + resolved_config=cfg.to_dict(), + task=task.name, + split="selective", + seed=cfg.run.seed, + metrics=m, + )) + return row + + +def _print_summary(cfg, m: dict) -> None: + d, lo, hi = m["delta_aurc_vs_best_energy"] + verdict = "GEOMETRY WINS" if m["geometry_wins"] else "not separated (CI includes 0)" + ood = f" OOD acc={m['accuracy_ood']:.3f}" if "accuracy_ood" in m else "" + print(f"[edc] K={m['k_restarts']} seed={cfg.run.seed} ID acc={m['accuracy_id']:.3f}{ood} " + f"base error={m['base_error']:.3f}") + print(f"[edc] AURC geometry={m['aurc']['geometry']:.4f} " + f"best energy ({m['best_energy_baseline']})={m['aurc'][m['best_energy_baseline']]:.4f}") + print(f"[edc] ΔAURC(best energy − geometry)={d:+.4f} 95% CI=[{lo:+.4f}, {hi:+.4f}]") + print(f"[edc] falsification: {verdict}") + if "delta_aurc_vs_best_baseline" in m: + db, lob, hib = m["delta_aurc_vs_best_baseline"] + vb = "GEOMETRY WINS" if m["geometry_wins_vs_baseline"] else "not separated (CI includes 0)" + print(f"[edc] best baseline overall: {m['best_baseline']} " + f"(AURC={m['aurc'][m['best_baseline']]:.4f}, T={m['temperature']:.2f})") + print(f"[edc] ΔAURC(best baseline − geometry)={db:+.4f} 95% CI=[{lob:+.4f}, {hib:+.4f}]" + f" -> {vb}") + ltt_b = m["ltt"] + print(f"[edc] LTT @ alpha={ltt_b['alpha']}, delta={ltt_b['delta']}: " + f"coverage={ltt_b['coverage']:.3f} selective_risk={ltt_b['selective_risk']:.3f} " + f"within_budget={ltt_b['risk_within_budget']}") def main(argv: list[str]) -> int: - raise NotImplementedError( - "Phase 4: load config -> edc.eval.evaluate -> edc.ledger.append. " - "For now use: PYTHONPATH=src python -m edc.cli smoke --config configs/smoke.toml" - ) + if not argv: + print("usage: run_experiment.py ", file=sys.stderr) + return 2 + cfg = load_config(argv[0]) + task_kwargs = cfg.to_dict().get("task", {}).get(cfg.run.task, {}) + task = build_task(cfg.run.task, **task_kwargs) + + print(f"[edc] experiment '{cfg.run.task}' (seed={cfg.run.seed}) — training + evaluating ...") + row = run_and_append(cfg, task) + print(f"[edc] appended ledger row run_id={row['run_id']} -> results/ledger.jsonl") + return 0 if __name__ == "__main__": diff --git a/experiments/run_halting.py b/experiments/run_halting.py new file mode 100644 index 0000000..0614f99 --- /dev/null +++ b/experiments/run_halting.py @@ -0,0 +1,56 @@ +"""Run the adaptive-halting experiment and append a ledger row. [Phase 4b] + + PYTHONPATH=src python experiments/run_halting.py configs/experiments/arithmetic_halting.toml + +Trains the reasoner, CRC-calibrates the basin-agreement halting threshold, and appends one +``split="halting"`` row with the compute-vs-accuracy metrics + tau-sweep. F4 regenerates from it +(invariant 6). +""" + +from __future__ import annotations + +import datetime as _dt +import sys +import uuid + +from edc.config import load_config +from edc.eval.evaluate_halting import evaluate_halting +from edc.ledger import RunRecord, append +from edc.registry import build_task + + +def main(argv: list[str]) -> int: + if not argv: + print("usage: run_halting.py ", file=sys.stderr) + return 2 + cfg = load_config(argv[0]) + task_kwargs = cfg.to_dict().get("task", {}).get(cfg.run.task, {}) + task = build_task(cfg.run.task, **task_kwargs) + + print(f"[edc] halting '{cfg.run.task}' (seed={cfg.run.seed}) — training + calibrating ...") + m = evaluate_halting(cfg, task) + + tau = m["tau_hat"] + tau_s = f"{tau:.3f}" if tau is not None else "None (budget infeasible)" + print(f"[edc] CRC tau_hat={tau_s} @ alpha={m['alpha']} (risk monotone in tau: " + f"{m['risk_monotone_in_tau']})") + print(f"[edc] compute used={m['compute_used']:.3f} (saved {m['compute_saved']:.3f}) " + f"halting risk={m['halting_risk']:.3f} within_budget={m['risk_within_budget']}") + print(f"[edc] accuracy: full={m['full_accuracy']:.3f} halted={m['halted_accuracy']:.3f} " + f"drop={m['accuracy_drop']:+.3f}") + + row = append(RunRecord( + run_id=uuid.uuid4().hex[:12], + timestamp=_dt.datetime.now(_dt.UTC).isoformat(), + resolved_config=cfg.to_dict(), + task=task.name, + split="halting", + seed=cfg.run.seed, + metrics=m, + )) + print(f"[edc] appended ledger row run_id={row['run_id']} -> results/ledger.jsonl") + return 0 + + +if __name__ == "__main__": + raise SystemExit(main(sys.argv[1:])) diff --git a/experiments/run_sweep.py b/experiments/run_sweep.py index 7c0cdb3..a0562f7 100644 --- a/experiments/run_sweep.py +++ b/experiments/run_sweep.py @@ -2,17 +2,93 @@ PYTHONPATH=src python experiments/run_sweep.py configs/sweeps/.toml -Grids sweep K restarts, step size, Langevin temperature, and conformal alpha (see -configs/sweeps/). Each cell calls the same path as run_experiment and appends its own row. +A sweep file names a ``base`` config, optional constant ``[sweep.override]`` keys, and a +``[sweep.grid]`` of dotted-key -> list. The grid is cartesian-expanded; every cell deep-merges its +overrides onto the base, then takes the same train->evaluate->ledger path as ``run_experiment`` (one +appended ``split="selective"`` row per cell). OOD is skipped in the sweep to save compute. + + [sweep] + base = "configs/experiments/arithmetic_selective.toml" + [sweep.override] # applied to every cell + "eval.n_eval" = 600 + [sweep.grid] # cartesian-expanded + "inference.k_restarts" = [1, 2, 4, 8, 16] + "run.seed" = [0, 1, 2, 3, 4] """ from __future__ import annotations +import copy +import itertools import sys +import tomllib +from pathlib import Path + +from edc.config import REPO_ROOT, load_config +from edc.registry import build_task + +try: # sys.path[0] is experiments/ when run as a script; fall back to package form. + from run_experiment import run_and_append +except ImportError: # pragma: no cover + from experiments.run_experiment import run_and_append + + +def _set_dotted(d: dict, dotted: str, value) -> None: + """Set ``d["a"]["b"] = value`` from the key ``"a.b"``, creating intermediate dicts.""" + keys = dotted.split(".") + node = d + for k in keys[:-1]: + node = node.setdefault(k, {}) + node[keys[-1]] = value + + +def expand_grid(grid: dict[str, list]) -> list[dict]: + """Cartesian product of a dotted-key -> list grid into ``{dotted_key: value}`` cells.""" + if not grid: + return [{}] + keys = list(grid) + combos = itertools.product(*(grid[k] for k in keys)) + return [dict(zip(keys, combo, strict=True)) for combo in combos] + + +def load_sweep(path: str | Path) -> tuple[dict, dict, list[dict]]: + """Return ``(base_resolved_dict, override, cells)`` from a sweep TOML.""" + with open(path, "rb") as f: + spec = tomllib.load(f)["sweep"] + base = load_config(spec["base"]).to_dict() + override = spec.get("override", {}) + cells = expand_grid(spec.get("grid", {})) + return base, override, cells + + +def cell_config_dict(base: dict, override: dict, cell: dict) -> dict: + """Deep-copy ``base`` and apply the constant overrides then this cell's assignments.""" + d = copy.deepcopy(base) + for dotted, value in {**override, **cell}.items(): + _set_dotted(d, dotted, value) + return d def main(argv: list[str]) -> int: - raise NotImplementedError("Phase 4: cartesian-expand the grid and dispatch run_experiment.") + if not argv: + print("usage: run_sweep.py ", file=sys.stderr) + return 2 + base, override, cells = load_sweep(argv[0]) + from edc.config import load_from_dict # local: keep module import surface small + + print(f"[edc] sweep '{Path(argv[0]).name}': {len(cells)} cells " + f"(override={override or '{}'}) -> appending to results/ledger.jsonl") + for i, cell in enumerate(cells, 1): + d = cell_config_dict(base, override, cell) + cfg = load_from_dict(d) + task_kwargs = d.get("task", {}).get(cfg.run.task, {}) + task = build_task(cfg.run.task, **task_kwargs) + print(f"\n[edc] cell {i}/{len(cells)}: {cell}") + row = run_and_append(cfg, task, include_ood=False) + print(f"[edc] -> run_id={row['run_id']}") + ledger = REPO_ROOT / "results/ledger.jsonl" + print(f"\n[edc] sweep complete: {len(cells)} rows appended -> {ledger}") + return 0 if __name__ == "__main__": diff --git a/paper/tables/T1_main.tex b/paper/tables/T1_main.tex new file mode 100644 index 0000000..d9a664a --- /dev/null +++ b/paper/tables/T1_main.tex @@ -0,0 +1,14 @@ +% auto-generated by analysis/make_tables.py — do not edit. run_ids=['46752558c5df', 'b8dc1a068df5', 'aa60425c10e1', 'c948f8130a3d', '4a5576e4c244', 'd1ae14a590d9', '452500308f3b', 'b1e83969abe5', '70d97e02bed0', '46bb116f8c7c'] +\begin{table}[t] + \centering + \caption{Main selective-prediction results across reasoning families (mean$\pm$std over seeds): geometry's $\Delta$AURC over the best raw-energy baseline and over the best of all baselines (energy, MSP, temperature-scaled MSP, predictive entropy). $\Delta$AURC $>0$ with the CI clearing 0 means geometry wins; ``seeds win`` counts seeds beating the best overall baseline.} + \label{tab:main} + \begin{tabular}{lrcccccc} + \toprule + task & $K$ & acc & AURC geom & $\Delta$AURC vs energy & $\Delta$AURC vs best base & seeds win & LTT cov \\ + \midrule + arithmetic & 12 & $0.83 \pm 0.02$ & $0.059 \pm 0.018$ & $0.085 \pm 0.036$ & $-0.011 \pm 0.006$ & 0/5 & $0.55 \pm 0.30$ \\ + graph\_planning & 12 & $0.70 \pm 0.02$ & $0.159 \pm 0.012$ & $0.111 \pm 0.054$ & $-0.034 \pm 0.008$ & 0/5 & $0.00 \pm 0.00$ \\ + \bottomrule + \end{tabular} +\end{table} diff --git a/paper/tables/T2_kablation.tex b/paper/tables/T2_kablation.tex new file mode 100644 index 0000000..7aef7e2 --- /dev/null +++ b/paper/tables/T2_kablation.tex @@ -0,0 +1,18 @@ +% auto-generated by analysis/make_tables.py — do not edit. run_ids=['acd437459961', '852e712d4157', '8b6b1348cf28', '56ea729e5ea5', '8b8e1e4a7381', 'a4170c27c22b', 'af69f3e49ad2', '25320822fdfd', '9519934cb397', '978eda331152', 'b73a5b1750f2', 'f14b18cfaee4', '04b6026d0afc', '3dc77bab6f6f', '8c4a180e7c9e', 'db2094e35b89', '7a85d96687d2', '7f822ee20bdb', 'e7cfb7fd624f', '539e9c3f0431', '1bfe6b304e0f', 'f63036690d31', '46752558c5df', 'b8dc1a068df5', 'aa60425c10e1', 'c948f8130a3d', '4a5576e4c244', '8d6b3f5b24a2', 'b5b8cfd55dee', '1a2ccd4ef091', 'ff953d4a0e15', 'e14af222ab26'] +\begin{table}[t] + \centering + \caption{Restart ablation: does landscape geometry across $K$ restarts add signal over a single descent ($K{=}1\approx$ EBT)? Lift is $\Delta$AURC $>0$ with the CI clearing 0.} + \label{tab:kablation} + \begin{tabular}{rccccc} + \toprule + $K$ & AURC geom & AURC energy & $\Delta$AURC & seeds win & LTT cov \\ + \midrule + 1 & $0.123 \pm 0.040$ & $0.149 \pm 0.053$ & $0.026 \pm 0.016$ & 1/5 & $0.16 \pm 0.32$ \\ + 2 & $0.103 \pm 0.036$ & $0.146 \pm 0.048$ & $0.043 \pm 0.024$ & 3/5 & $0.18 \pm 0.36$ \\ + 4 & $0.082 \pm 0.038$ & $0.144 \pm 0.046$ & $0.062 \pm 0.035$ & 4/5 & $0.29 \pm 0.36$ \\ + 8 & $0.076 \pm 0.029$ & $0.145 \pm 0.053$ & $0.070 \pm 0.033$ & 5/5 & $0.54 \pm 0.29$ \\ + 12 & $0.057 \pm 0.019$ & $0.137 \pm 0.047$ & $0.080 \pm 0.031$ & 7/7 & $0.62 \pm 0.28$ \\ + 16 & $0.051 \pm 0.021$ & $0.134 \pm 0.050$ & $0.083 \pm 0.034$ & 5/5 & $0.68 \pm 0.11$ \\ + \bottomrule + \end{tabular} +\end{table} diff --git a/paper/tables/T2b_feature_ablation.tex b/paper/tables/T2b_feature_ablation.tex new file mode 100644 index 0000000..2a05474 --- /dev/null +++ b/paper/tables/T2b_feature_ablation.tex @@ -0,0 +1,17 @@ +% auto-generated by analysis/make_tables.py — do not edit. feature-group leave-one-out +\begin{table}[t] + \centering + \caption{Feature-group leave-one-out ablation: test AURC of the geometry mapper refit on subsets of the 14 features (mean$\pm$std over seeds). ``drop\_X`` removes that group; comparing ``drop\_energy`` to ``full`` isolates the non-energy geometry contribution.} + \label{tab:ablation} + \begin{tabular}{lcc} + \toprule + subset (AURC, lower=better) & arithmetic & graph\_planning \\ + \midrule + full & $0.059 \pm 0.018$ & $0.159 \pm 0.012$ \\ + drop\_basin & $0.110 \pm 0.030$ & $0.175 \pm 0.017$ \\ + drop\_energy & $0.062 \pm 0.018$ & $0.162 \pm 0.014$ \\ + drop\_curv & $0.063 \pm 0.020$ & $0.160 \pm 0.012$ \\ + drop\_dynamics & $0.064 \pm 0.024$ & $0.187 \pm 0.024$ \\ + \bottomrule + \end{tabular} +\end{table} diff --git a/paper/tables/T3_repro.tex b/paper/tables/T3_repro.tex new file mode 100644 index 0000000..baa6f63 --- /dev/null +++ b/paper/tables/T3_repro.tex @@ -0,0 +1,49 @@ +% auto-generated by analysis/make_tables.py — do not edit. n_rows=37 +\begin{table}[t] + \centering + \caption{Reproducibility appendix. Env: python 3.12.13, jax 0.11.0 (cpu). Every row regenerates from seed + config via \texttt{run\_sweep}.} + \label{tab:repro} + \begin{tabular}{lrrll} + \toprule + run\_id & seed & $K$ & config hash & git sha \\ + \midrule + 1bfe6b304e0f & 0 & ? & 53bd1f04ae90 & 7369abb \\ + acd437459961 & 0 & 1 & f314930a27aa & 758d5f2 \\ + 852e712d4157 & 1 & 1 & 610a639808b6 & 758d5f2 \\ + 8b6b1348cf28 & 2 & 1 & cf02c245cbac & 758d5f2 \\ + 56ea729e5ea5 & 3 & 1 & a56243cda69f & 758d5f2 \\ + 8b8e1e4a7381 & 4 & 1 & e923fb1d771e & 758d5f2 \\ + a4170c27c22b & 0 & 2 & b1a0a6873eb1 & 758d5f2 \\ + af69f3e49ad2 & 1 & 2 & 1632b77f4493 & 758d5f2 \\ + 25320822fdfd & 2 & 2 & 17b96f1b0f17 & 758d5f2 \\ + 9519934cb397 & 3 & 2 & 059694ff7fbf & 758d5f2 \\ + 978eda331152 & 4 & 2 & ac1d6e63a53d & 758d5f2 \\ + b73a5b1750f2 & 0 & 4 & 419a01656461 & 758d5f2 \\ + f14b18cfaee4 & 1 & 4 & 45792209eed5 & 758d5f2 \\ + 04b6026d0afc & 2 & 4 & 825c1996aff6 & 758d5f2 \\ + 3dc77bab6f6f & 3 & 4 & 0347ef3f7e0e & 758d5f2 \\ + 8c4a180e7c9e & 4 & 4 & d5bb5763735c & 758d5f2 \\ + db2094e35b89 & 0 & 8 & bbd87d16beee & 758d5f2 \\ + 7a85d96687d2 & 1 & 8 & 537005d71045 & 758d5f2 \\ + 7f822ee20bdb & 2 & 8 & 9237080427a6 & 758d5f2 \\ + e7cfb7fd624f & 3 & 8 & 6cacd4aa98fa & 758d5f2 \\ + 539e9c3f0431 & 4 & 8 & 1be43f267351 & 758d5f2 \\ + f63036690d31 & 0 & 12 & cecbb6158c46 & 3d7ce49 \\ + d1ae14a590d9 & 0 & 12 & 3643423663c7 & 5207145 \\ + 46752558c5df & 0 & 12 & c6246ddaef7e & 5207145 \\ + 452500308f3b & 1 & 12 & 60da27bc4d66 & 5207145 \\ + b8dc1a068df5 & 1 & 12 & e65ef9e88f92 & 5207145 \\ + b1e83969abe5 & 2 & 12 & ff22f3433ff5 & 5207145 \\ + aa60425c10e1 & 2 & 12 & cacbb6ece843 & 5207145 \\ + 70d97e02bed0 & 3 & 12 & fbed14eeb756 & 5207145 \\ + c948f8130a3d & 3 & 12 & 054f01c6c637 & 5207145 \\ + 46bb116f8c7c & 4 & 12 & 609a4152cf1e & 5207145 \\ + 4a5576e4c244 & 4 & 12 & 0b564d7f9e23 & 5207145 \\ + 8d6b3f5b24a2 & 0 & 16 & 3c20300a5e78 & 758d5f2 \\ + b5b8cfd55dee & 1 & 16 & 22b25365d745 & 758d5f2 \\ + 1a2ccd4ef091 & 2 & 16 & b6cea5e21b36 & 758d5f2 \\ + ff953d4a0e15 & 3 & 16 & ef0196b5978e & 758d5f2 \\ + e14af222ab26 & 4 & 16 & 9c69bc8a7ce8 & 758d5f2 \\ + \bottomrule + \end{tabular} +\end{table} diff --git a/results/ledger.jsonl b/results/ledger.jsonl index e69de29..a4fe703 100644 --- a/results/ledger.jsonl +++ b/results/ledger.jsonl @@ -0,0 +1,58 @@ +{"run_id": "96eb9d2e007d", "timestamp": "2026-07-24T14:26:12.273421+00:00", "git_sha": "7369abb", "config_hash": "40bc3df0b42a", "config": {"run": {"seed": 0, "task": "arithmetic", "notes": "smoke"}, "model": {"latent_dim": 24, "hidden_dim": 64, "context_dim": 32}, "inference": {"k_restarts": 4, "steps": 25, "step_size": 0.1, "temperature": 0.05, "init_scale": 1.0, "grad_tol": 0.001}, "train": {"epochs": 12, "batch_size": 128, "lr": 0.002, "n_train": 3000, "n_neg": 2, "neg_noise": 0.5}, "eval": {"n_eval": 128}, "conformal": {"alpha": 0.1, "delta": 0.05, "n_calib": 128}}, "task": "arithmetic", "split": "id+ood", "seed": 0, "metrics": {"chance": 0.0136986301369863, "id": {"best_of_n_acc": 0.9765625, "majority_acc": 0.984375, "mean_terminal_energy": 1.8337225914001465}, "ood": {"best_of_n_acc": 0.0, "majority_acc": 0.0078125, "mean_terminal_energy": 1.7481226921081543}, "k_restarts": 4, "steps": 25, "final_train_loss": 0.6574077606201172}, "env": {"python": "3.12.13", "platform": "macOS-26.5.2-arm64-arm-64bit", "jax": "0.11.0", "jax_backend": "cpu"}, "artifact_paths": []} +{"run_id": "0bfced43260d", "timestamp": "2026-07-24T16:17:25.791375+00:00", "git_sha": "7369abb", "config_hash": "40bc3df0b42a", "config": {"run": {"seed": 0, "task": "arithmetic", "notes": "smoke"}, "model": {"latent_dim": 24, "hidden_dim": 64, "context_dim": 32}, "inference": {"k_restarts": 4, "steps": 25, "step_size": 0.1, "temperature": 0.05, "init_scale": 1.0, "grad_tol": 0.001}, "train": {"epochs": 12, "batch_size": 128, "lr": 0.002, "n_train": 3000, "n_neg": 2, "neg_noise": 0.5}, "eval": {"n_eval": 128}, "conformal": {"alpha": 0.1, "delta": 0.05, "n_calib": 128}}, "task": "arithmetic", "split": "geometry-diagnostic", "seed": 0, "metrics": {"id": {"accuracy": 0.984375, "feature_auroc": {"basin/rho": 0.7261904761904762, "basin/entropy": 0.27380952380952384, "basin/dispersion": 0.2976190476190476, "energy/mean": 0.5515873015873016, "energy/min": 0.4603174603174603, "energy/std": 0.8095238095238095, "curv/lmax_mean": 0.3611111111111111, "curv/lmax_best": 0.5, "curv/trace_mean": 0.3253968253968254, "curv/trace_best": 0.32936507936507936, "dynamics/steps": 0.5, "dynamics/monotonic": 0.5694444444444444, "dynamics/drop": 0.4365079365079365, "dynamics/residual": 0.46825396825396826}, "feature_names": ["basin/rho", "basin/entropy", "basin/dispersion", "energy/mean", "energy/min", "energy/std", "curv/lmax_mean", "curv/lmax_best", "curv/trace_mean", "curv/trace_best", "dynamics/steps", "dynamics/monotonic", "dynamics/drop", "dynamics/residual"]}, "ood": {"accuracy": 0.0078125, "feature_auroc": {"basin/rho": 0.6259842519685039, "basin/entropy": 0.37401574803149606, "basin/dispersion": 0.952755905511811, "energy/mean": 0.33070866141732286, "energy/min": 0.33070866141732286, "energy/std": 0.3700787401574803, "curv/lmax_mean": 0.08661417322834646, "curv/lmax_best": 0.03937007874015748, "curv/trace_mean": 0.16535433070866143, "curv/trace_best": 0.031496062992125984, "dynamics/steps": 0.5, "dynamics/monotonic": 0.2283464566929134, "dynamics/drop": 0.023622047244094488, "dynamics/residual": 0.03937007874015748}, "feature_names": ["basin/rho", "basin/entropy", "basin/dispersion", "energy/mean", "energy/min", "energy/std", "curv/lmax_mean", "curv/lmax_best", "curv/trace_mean", "curv/trace_best", "dynamics/steps", "dynamics/monotonic", "dynamics/drop", "dynamics/residual"]}, "best_geometry_feature": "basin/rho", "best_geometry_sep": 0.22619047619047616, "best_energy_feature": "energy/std", "best_energy_sep": 0.30952380952380953, "k_restarts": 4, "steps": 25}, "env": {"python": "3.12.13", "platform": "macOS-26.5.2-arm64-arm-64bit", "jax": "0.11.0", "jax_backend": "cpu"}, "artifact_paths": []} +{"run_id": "f28af2a10ebe", "timestamp": "2026-07-24T16:17:45.486983+00:00", "git_sha": "7369abb", "config_hash": "40bc3df0b42a", "config": {"run": {"seed": 0, "task": "arithmetic", "notes": "smoke"}, "model": {"latent_dim": 24, "hidden_dim": 64, "context_dim": 32}, "inference": {"k_restarts": 4, "steps": 25, "step_size": 0.1, "temperature": 0.05, "init_scale": 1.0, "grad_tol": 0.001}, "train": {"epochs": 12, "batch_size": 128, "lr": 0.002, "n_train": 3000, "n_neg": 2, "neg_noise": 0.5}, "eval": {"n_eval": 128}, "conformal": {"alpha": 0.1, "delta": 0.05, "n_calib": 128}}, "task": "arithmetic", "split": "id+ood", "seed": 0, "metrics": {"chance": 0.0136986301369863, "id": {"best_of_n_acc": 0.9765625, "majority_acc": 0.984375, "mean_terminal_energy": 1.8337225914001465}, "ood": {"best_of_n_acc": 0.0, "majority_acc": 0.0078125, "mean_terminal_energy": 1.7481226921081543}, "k_restarts": 4, "steps": 25, "final_train_loss": 0.6574077606201172}, "env": {"python": "3.12.13", "platform": "macOS-26.5.2-arm64-arm-64bit", "jax": "0.11.0", "jax_backend": "cpu"}, "artifact_paths": []} +{"run_id": "1bfe6b304e0f", "timestamp": "2026-07-24T18:52:49.992964+00:00", "git_sha": "7369abb", "config_hash": "53bd1f04ae90", "config": {"run": {"seed": 0, "task": "arithmetic", "notes": "E1 selective-prediction main run"}, "model": {"latent_dim": 32, "hidden_dim": 128, "context_dim": 64}, "inference": {"k_restarts": 12, "steps": 50, "step_size": 0.1, "temperature": 0.05, "init_scale": 1.0, "grad_tol": 0.001}, "train": {"epochs": 9, "batch_size": 128, "lr": 0.001, "n_train": 6000, "n_neg": 4, "neg_noise": 0.5}, "eval": {"n_eval": 1500}, "conformal": {"alpha": 0.1, "delta": 0.05, "n_calib": 1500}, "task": {"arithmetic": {"modular": false, "n_operands": 6, "ood_n_operands": 6, "max_operand": 7, "ood_max_operand": 9}}}, "task": "arithmetic", "split": "selective", "seed": 0, "metrics": {"n_fit": 1500, "n_calib": 1500, "n_test": 1500, "accuracy_id": 0.8953333333333333, "accuracy_ood": 0.21933333333333332, "base_error": 0.10466666666666667, "final_train_loss": 0.8188491463661194, "feature_names": ["basin/rho", "basin/entropy", "basin/dispersion", "energy/mean", "energy/min", "energy/std", "curv/lmax_mean", "curv/lmax_best", "curv/trace_mean", "curv/trace_best", "dynamics/steps", "dynamics/monotonic", "dynamics/drop", "dynamics/residual"], "aurc": {"geometry": 0.029349183011227364, "rho_basin": 0.04703923516800908, "energy_min": 0.09284518792755422, "energy_mean": 0.09258513305715307, "energy_std": 0.09811602442052769}, "aurc_ood": {"geometry": 0.7904529574770697, "rho_basin": 0.734783754853945, "energy_min": 0.7454266622850384, "energy_mean": 0.7396153486239366, "energy_std": 0.7984967327940918}, "best_energy_baseline": "energy_mean", "delta_aurc_vs_energy_min": [0.06349600491632686, 0.045868762847212426, 0.0820132697887756], "delta_aurc_vs_best_energy": [0.0632359500459257, 0.04732536012023457, 0.0812207368388719], "geometry_wins": true, 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"macOS-26.5.2-arm64-arm-64bit", "jax": "0.11.0", "jax_backend": "cpu"}, "artifact_paths": []} diff --git a/src/edc/cli.py b/src/edc/cli.py index d3095cd..88a0c73 100644 --- a/src/edc/cli.py +++ b/src/edc/cli.py @@ -14,10 +14,13 @@ import datetime as _dt import uuid +import jax import jax.numpy as jnp import numpy as np from edc.config import load_config +from edc.eval import metrics +from edc.geometry.features import geometry_features from edc.inference import restarts from edc.ledger import RunRecord, append from edc.registry import build_task @@ -79,6 +82,85 @@ def cmd_smoke(args: argparse.Namespace) -> int: return 0 +def _geometry_report(fns, params, cfg, task, split, key) -> dict: + """Compute geometry features on a split and score each feature's correct-vs-incorrect AUROC.""" + k_solve, k_geom = jax.random.split(key) + rng = numpy_rng(cfg.run.seed, 8, 0 if split == "id" else 1) + batch = task.sample(rng, cfg.eval.n_eval, split=split) + traj = restarts.solve(fns, params, jnp.asarray(batch.x), cfg, k_solve) + + feats, names = geometry_features(fns=fns, params=params, traj=traj, key=k_geom, + grad_tol=cfg.inference.grad_tol) + pred_boN, _ = restarts.best_of_n_energy(traj) + correct = task.evaluate(np.asarray(pred_boN), batch.y) + + auroc = {name: metrics.single_feature_auroc(feats[:, j], correct) + for j, name in enumerate(names)} + return {"accuracy": float(np.mean(correct)), "feature_auroc": auroc, "feature_names": names} + + +def _print_geometry_table(split: str, report: dict) -> None: + sep = lambda a: abs(a - 0.5) # noqa: E731 distance from chance = separation strength + ranked = sorted(report["feature_auroc"].items(), key=lambda kv: sep(kv[1]), reverse=True) + print(f"\n[edc] {split.upper()} base acc={report['accuracy']:.3f} " + f"(best-of-N energy) — per-feature correct-vs-incorrect AUROC:") + for name, a in ranked: + group = "energy" if name.startswith("energy/") else "geom " + print(f" {group} {name:<20} AUROC={a:.3f} |sep|={sep(a):.3f}") + + +def cmd_geometry(args: argparse.Namespace) -> int: + cfg = load_config(args.config) + task = build_task(cfg.run.task, **cfg.to_dict().get("task", {}).get(cfg.run.task, {})) + + print(f"[edc] training on '{task.name}' (seed={cfg.run.seed}) ...") + params, fns, history = train(cfg, task) + print(f"[edc] final train loss={history['epochs'][-1]['loss']:.4f}") + + key = root_key(cfg.run.seed) + k_id, k_ood = jax.random.split(key) + reports = {"id": _geometry_report(fns, params, cfg, task, "id", k_id), + "ood": _geometry_report(fns, params, cfg, task, "ood", k_ood)} + + sep = lambda a: abs(a - 0.5) # noqa: E731 + for split in ("id", "ood"): + _print_geometry_table(split, reports[split]) + + # Falsification smell test: does the best geometry feature separate better than the best + # raw-energy feature (the EBT baseline)? Full ΔAURC bootstrap arrives in Phase 3. + auroc = reports["id"]["feature_auroc"] + geom = {n: a for n, a in auroc.items() if not n.startswith("energy/")} + energy = {n: a for n, a in auroc.items() if n.startswith("energy/")} + best_geom = max(geom, key=lambda n: sep(geom[n])) + best_energy = max(energy, key=lambda n: sep(energy[n])) + ahead = sep(geom[best_geom]) > sep(energy[best_energy]) + verdict = "geometry ahead" if ahead else "energy ahead" + print(f"\n[edc] ID best geometry '{best_geom}' |sep|={sep(geom[best_geom]):.3f} vs " + f"best energy '{best_energy}' |sep|={sep(energy[best_energy]):.3f} ({verdict})") + + metrics_row = { + "id": reports["id"], + "ood": reports["ood"], + "best_geometry_feature": best_geom, + "best_geometry_sep": sep(geom[best_geom]), + "best_energy_feature": best_energy, + "best_energy_sep": sep(energy[best_energy]), + "k_restarts": cfg.inference.k_restarts, + "steps": cfg.inference.steps, + } + row = append(RunRecord( + run_id=uuid.uuid4().hex[:12], + timestamp=_dt.datetime.now(_dt.UTC).isoformat(), + resolved_config=cfg.to_dict(), + task=task.name, + split="geometry-diagnostic", + seed=cfg.run.seed, + metrics=metrics_row, + )) + print(f"[edc] appended ledger row run_id={row['run_id']} -> results/ledger.jsonl") + return 0 + + def main(argv: list[str] | None = None) -> int: p = argparse.ArgumentParser(prog="edc", description="Energy Descent Certificates") sub = p.add_subparsers(dest="cmd", required=True) @@ -87,6 +169,10 @@ def main(argv: list[str] | None = None) -> int: ps.add_argument("--config", default="configs/smoke.toml") ps.set_defaults(func=cmd_smoke) + pg = sub.add_parser("geometry", help="Phase-2 geometry-feature separation diagnostic (CPU)") + pg.add_argument("--config", default="configs/smoke.toml") + pg.set_defaults(func=cmd_geometry) + args = p.parse_args(argv) return args.func(args) diff --git a/src/edc/conformal/crc.py b/src/edc/conformal/crc.py index 32a16df..c50dcd9 100644 --- a/src/edc/conformal/crc.py +++ b/src/edc/conformal/crc.py @@ -5,10 +5,62 @@ errors). CRC (Angelopoulos et al., arXiv:2208.02814) then picks ``lambda_hat`` so ``E[L(lambda_hat)] <= alpha`` in finite samples. Monotonicity is exactly why CRC — not LTT — is the right tool here. + +This module is the pure calibrator. The halting *policy* that produces ``loss_by_lambda`` from a +trajectory (``halting.adaptive``) and figure F4 are deferred (they need per-step decoded answers +on ``TrajectoryRecord``). NumPy only (invariant 1). """ from __future__ import annotations +import numpy as np + + +def _normalise(loss_by_lambda, lambdas): + """Return ``(lambdas ascending, loss_matrix (n_cal, n_lambda) aligned to them)``. + + Accepts a ``dict {lambda: per-point loss vector}`` or a 2D array with an explicit ``lambdas``. + Lambdas are sorted ascending; by convention a larger lambda halts earlier => saves more + compute => weakly higher loss. + """ + if isinstance(loss_by_lambda, dict): + lams = np.array(sorted(loss_by_lambda), dtype=float) + mat = np.stack([np.asarray(loss_by_lambda[k], dtype=float) for k in lams], axis=1) + return lams, mat + mat = np.asarray(loss_by_lambda, dtype=float) + if mat.ndim != 2: + raise ValueError("loss_by_lambda must be a dict or a (n_cal, n_lambda) 2D array") + lams = np.arange(mat.shape[1], dtype=float) if lambdas is None else np.asarray(lambdas, float) + order = np.argsort(lams) + return lams[order], mat[:, order] + + +def calibrate(loss_by_lambda, alpha: float, lambdas=None): + """Pick the most compute-saving ``lambda_hat`` whose CRC bound holds, or ``None`` if infeasible. + + Finite-sample CRC bound with bounded loss ``B = 1`` (mirrors the ``(n+1)`` correction in + ``split_conformal``):: + + (n / (n + 1)) * R_hat(lambda) + 1 / (n + 1) <= alpha + + where ``R_hat`` is the mean loss over the ``n`` calibration points. Because loss is monotone + non-decreasing in ``lambda`` (more compute saved => weakly more errors), the admissible set is + a prefix in ascending-lambda order; we scan that order and return the **largest admissible** + lambda (maximal compute saving while safe). Returns ``None`` when even the most conservative + lambda violates the bound — including the structurally infeasible regime ``alpha < 1/(n+1)``, + where no risk (not even 0) can satisfy it. + """ + lams, mat = _normalise(loss_by_lambda, lambdas) + n = mat.shape[0] + if n == 0: + raise ValueError("need at least one calibration point") + rhs = (alpha * (n + 1) - 1.0) / n # R_hat must be <= this + r_hat = mat.mean(axis=0) -def calibrate(loss_by_lambda, alpha: float): - raise NotImplementedError("Phase 3: choose the smallest-compute lambda with E[L] <= alpha.") + lambda_hat = None + for lam, r in zip(lams, r_hat, strict=True): + if r <= rhs: + lambda_hat = float(lam) # extend the admissible prefix + else: + break # monotone: once it fails, larger lambdas only get worse + return lambda_hat diff --git a/src/edc/conformal/ltt.py b/src/edc/conformal/ltt.py index bbfb6d5..3389cc3 100644 --- a/src/edc/conformal/ltt.py +++ b/src/edc/conformal/ltt.py @@ -5,14 +5,84 @@ candidate ``lambda`` as a hypothesis ``H_lambda: R_sel(lambda) > alpha``, computes a valid Hoeffding-Bentkus p-value, and returns the FWER-controlled admissible set. Guarantee: ``P(R_sel(lambda_hat) <= alpha) >= 1 - delta``, distribution-free, under exchangeability. + +NumPy / scipy only (invariant 1). """ from __future__ import annotations +import math + +import numpy as np +from scipy.special import rel_entr +from scipy.stats import binom + def hoeffding_bentkus_pvalue(risk_hat: float, alpha: float, n: int) -> float: - raise NotImplementedError("Phase 3: valid p-value for H: R_sel > alpha.") + """Valid p-value for ``H: R > alpha`` given empirical mean loss ``risk_hat`` over ``n`` points. + + ``p = min(p_Hoeffding, p_Bentkus, 1)``. Rejecting ``H`` at level ``delta`` certifies + ``R <= alpha``. The loss is in ``[0, 1]`` (here a selective error rate). + + - Hoeffding (relative-entropy / Chernoff form, tighter than the additive bound): + ``exp(-n * KL(risk_hat || alpha))`` with ``KL`` via ``rel_entr`` so ``0*log 0 -> 0``. + - Bentkus: ``e * P(Bin(n, alpha) <= ceil(n * risk_hat))``. + + Returns ``1.0`` when ``risk_hat >= alpha`` (no evidence to reject) or ``n <= 0`` (an empty + sample certifies nothing) — the Hoeffding form is only valid for ``risk_hat < alpha``. + """ + if n <= 0 or risk_hat >= alpha: + return 1.0 + risk_hat = max(float(risk_hat), 0.0) + kl = float(rel_entr(risk_hat, alpha) + rel_entr(1.0 - risk_hat, 1.0 - alpha)) + p_hoeffding = math.exp(-n * kl) + p_bentkus = math.e * float(binom.cdf(math.ceil(n * risk_hat), n, alpha)) + return float(min(p_hoeffding, p_bentkus, 1.0)) + + +def selective_risk(scores_cal, correct_cal, lam: float) -> tuple[float, int]: + """``(R_sel, n_answered)`` at threshold ``lam``: error rate among answered inputs (s <= lam).""" + scores = np.asarray(scores_cal, dtype=float) + correct = np.asarray(correct_cal).astype(bool) + answered = scores <= lam + n_ans = int(answered.sum()) + if n_ans == 0: + return float("nan"), 0 + return float((~correct[answered]).mean()), n_ans + + +def calibrate(scores_cal, correct_cal, alpha: float, delta: float, lambdas=None, + n_grid: int = 100) -> dict: + """Return the FWER-controlled admissible thresholds and the max-coverage pick. + + For each candidate threshold ``lambda`` the selective risk ``R_sel`` is the error rate among + answered inputs (``s <= lambda``) over ``n_ans`` points, with p-value ``HB(R_sel, alpha, + n_ans)`` for ``H_lambda: R_sel > alpha``. Because ``R_sel`` is **non-monotone** in ``lambda``, + fixed-sequence testing does not apply (the smallest thresholds answer too few points to have + any statistical power, so a sequence would stall immediately); we instead use **Bonferroni** + over a bounded quantile grid of ``m`` candidates: admissible ``= {lambda : p(lambda) <= + delta/m}``, which controls FWER at ``delta`` for arbitrary thresholds. ``lambda_hat`` is the + largest admissible threshold (max coverage), or ``None`` if none pass — abstain on everything + at this ``(alpha, delta)`` given ``n``. + + An empty answered set (``lambda`` below every score) gives ``p = 1`` (never admissible; no 0/0). + Pass explicit ``lambdas`` to override the grid. + """ + scores = np.asarray(scores_cal, dtype=float) + correct = np.asarray(correct_cal).astype(bool) + if lambdas is None: + # Quantile grid keeps the multiplicity m bounded (so delta/m is not crushed) while still + # placing candidates where the scores actually are. + lambdas = np.unique(np.quantile(scores, np.linspace(0.0, 1.0, n_grid))) + lambdas = np.sort(np.asarray(lambdas, dtype=float)) + m = lambdas.shape[0] + pvalues = np.empty(m, dtype=float) + for i, lam in enumerate(lambdas): + r_sel, n_ans = selective_risk(scores, correct, lam) + pvalues[i] = 1.0 if n_ans == 0 else hoeffding_bentkus_pvalue(r_sel, alpha, n_ans) -def calibrate(scores_cal, correct_cal, alpha: float, delta: float): - raise NotImplementedError("Phase 3: return admissible thresholds controlling selective risk.") + admissible = lambdas[pvalues <= delta / m] # Bonferroni + lambda_hat = float(admissible.max()) if admissible.size else None + return {"admissible": admissible, "lambda_hat": lambda_hat, "pvalues": pvalues, + "lambdas": lambdas, "m": m} diff --git a/src/edc/conformal/nonconformity.py b/src/edc/conformal/nonconformity.py index 9f42822..67f7fb8 100644 --- a/src/edc/conformal/nonconformity.py +++ b/src/edc/conformal/nonconformity.py @@ -1,17 +1,78 @@ """Nonconformity scores from geometry features. [Phase 3] -Fits a small monotone mapper (logistic regression / gradient-boosted trees) from geometry -features to ``p_hat(correct)`` on a fold **disjoint** from the calibration fold (invariant 7), -then scores ``s(x) = 1 - p_hat(correct)``. A hand-defined ``1 - rho_basin`` variant is kept so -conformal validity does not hinge on the learned mapper. +Fits a small mapper (logistic regression) from geometry features to ``p_hat(correct)`` on a fold +**disjoint** from the calibration fold (invariant 7), then scores ``s(x) = 1 - p_hat(correct)`` +(low ``s`` = confident). A hand-defined ``1 - rho_basin`` variant is kept so conformal validity +does not hinge on the learned mapper. + +Plain NumPy / scikit-learn (invariant 1): no JAX. The standardisation statistics travel *inside* +the returned sklearn ``Pipeline`` so ``score`` is a pure function of the fitted object. """ from __future__ import annotations +import numpy as np +from sklearn.linear_model import LogisticRegression +from sklearn.pipeline import Pipeline +from sklearn.preprocessing import StandardScaler + + +class _ConstantMapper: + """Degenerate mapper for a single-class fit fold: ``p_hat(correct)`` is a constant. + + Exposes the minimal sklearn surface (``classes_`` + ``predict_proba``) that ``score`` uses, so + the all-correct / all-wrong fold produces a consistent constant nonconformity score instead of + crashing ``LogisticRegression`` (which needs >= 2 classes). + """ + + def __init__(self, cls: int) -> None: + self.classes_ = np.array([cls]) + + def predict_proba(self, x): + return np.ones((np.asarray(x).shape[0], 1)) + def fit_mapper(features_train, correct_train): - raise NotImplementedError("Phase 3: fit logistic/GBT features -> p(correct) on the fit fold.") + """Fit ``features -> p_hat(correct)`` on the FIT fold (disjoint from calibration, invariant 7). + + Returns a standardise-then-logistic ``Pipeline``; the scaler's mean/scale are stored on the + object so ``score`` needs nothing else. A single-class fit fold (all-correct or all-wrong) + yields a ``_ConstantMapper`` so ``score`` stays well-defined. + """ + x = np.asarray(features_train, dtype=float) + y = np.asarray(correct_train).astype(int) + classes = np.unique(y) + if classes.shape[0] < 2: + return _ConstantMapper(int(classes[0])) + mapper = Pipeline( + [("scaler", StandardScaler()), ("clf", LogisticRegression(max_iter=1000))] + ) + mapper.fit(x, y) + return mapper + + +def score(mapper: Pipeline, features) -> np.ndarray: + """Nonconformity score ``s = 1 - p_hat(correct)`` for each row of ``features``. + + Looks up the positive-class (``correct == 1``) column via ``classes_`` rather than assuming + column 1; if the fit fold saw only one class, returns a constant score consistent with it. + """ + x = np.asarray(features, dtype=float) + classes = mapper.classes_ + proba = mapper.predict_proba(x) + if 1 in classes: + p_correct = proba[:, list(classes).index(1)] + else: + # Fit fold had no correct examples -> model always predicts incorrect -> p_correct = 0. + p_correct = np.zeros(x.shape[0]) + return 1.0 - p_correct + +def rho_basin_score(rho) -> np.ndarray: + """Hand-defined fallback score ``s = 1 - rho_basin`` (no fit). -def score(mapper, features): - raise NotImplementedError("Phase 3: s(x) = 1 - p_hat(correct).") + ``rho`` is the plurality fraction of decoded answers across restarts + (``basin_features(traj)[0][:, 0]``). High agreement => confident => low score. Kept so + distribution-free validity never depends on the learned mapper (invariant 7). + """ + return 1.0 - np.asarray(rho, dtype=float) diff --git a/src/edc/conformal/selective.py b/src/edc/conformal/selective.py index 9d99d1d..82e409a 100644 --- a/src/edc/conformal/selective.py +++ b/src/edc/conformal/selective.py @@ -7,8 +7,20 @@ from __future__ import annotations +import numpy as np + ABSTAIN = -1 -def selective_predict(pred, scores, threshold): - raise NotImplementedError("Phase 3: return pred where score<=threshold else ABSTAIN.") +def selective_predict(pred, scores, threshold) -> np.ndarray: + """Return ``pred`` where ``score <= threshold`` (answer), else ``ABSTAIN`` (-1). + + Boundary answers (``s == threshold``), consistent with ``split_conformal.empirical_coverage`` + and the ``s <= lambda`` convention used across the conformal layer. ``threshold`` may be + ``inf`` (admit all) or ``-inf`` (abstain all). + """ + pred = np.asarray(pred) + scores = np.asarray(scores, dtype=float) + if pred.shape[0] != scores.shape[0]: + raise ValueError("pred and scores must have the same length") + return np.where(scores <= threshold, pred, ABSTAIN) diff --git a/src/edc/eval/baselines.py b/src/edc/eval/baselines.py new file mode 100644 index 0000000..716831c --- /dev/null +++ b/src/edc/eval/baselines.py @@ -0,0 +1,65 @@ +"""Standard softmax-confidence nonconformity baselines. [Phase 4e] + +Geometry must beat not only the EBT scalar energy (invariant 8) but also the obvious decoder-softmax +confidence signals. These are cheap, standard baselines computed from the mean decoder logits over +the K restarts (a logit-averaging ensemble read-off), conformalized identically to geometry: + +* **MSP** — ``1 - max_c softmax``: the classic maximum-softmax-probability confidence. +* **temperature-scaled MSP** — MSP after a single scalar temperature fit on the (disjoint) fit fold. +* **predictive entropy** — entropy of the softmax (higher = less confident). + +All return nonconformity scores (low = confident), so ``eval.metrics.aurc`` consumes them directly. +NumPy/scipy only (invariant 1); temperature fit is deterministic. +""" + +from __future__ import annotations + +import numpy as np +from scipy.optimize import minimize_scalar + + +def softmax(logits: np.ndarray) -> np.ndarray: + """Row-wise softmax of ``(n, C)`` logits.""" + z = np.asarray(logits, dtype=float) + z = z - z.max(axis=-1, keepdims=True) + e = np.exp(z) + return e / e.sum(axis=-1, keepdims=True) + + +def msp_score(mean_logits: np.ndarray) -> np.ndarray: + """``1 - max softmax`` — low when the predictive distribution is peaked (confident).""" + return 1.0 - softmax(mean_logits).max(axis=-1) + + +def entropy_score(mean_logits: np.ndarray) -> np.ndarray: + """Predictive entropy in nats — high when the distribution is flat (unconfident).""" + p = softmax(mean_logits) + with np.errstate(divide="ignore", invalid="ignore"): + logp = np.where(p > 0, np.log(p), 0.0) + return -(p * logp).sum(axis=-1) + + +def _nll(temp: float, logits: np.ndarray, y: np.ndarray) -> float: + """Mean negative log-likelihood of ``y`` under ``softmax(logits / temp)``.""" + p = softmax(logits / temp) + n = logits.shape[0] + return float(-np.mean(np.log(p[np.arange(n), y] + 1e-12))) + + +def fit_temperature(mean_logits_fit: np.ndarray, y_fit: np.ndarray) -> float: + """Scalar temperature minimising NLL on the fit fold (invariant 7); ``1.0`` fallback. + + Standard temperature scaling (Guo et al. 2017), fit on a fold disjoint from calibration so the + resulting nonconformity score stays exchangeable with the calibration set. + """ + logits = np.asarray(mean_logits_fit, dtype=float) + y = np.asarray(y_fit).astype(int) + if logits.shape[0] == 0 or len(np.unique(y)) < 2: + return 1.0 + res = minimize_scalar(_nll, bounds=(0.05, 20.0), args=(logits, y), method="bounded") + return float(res.x) if res.success else 1.0 + + +def temp_msp_score(mean_logits: np.ndarray, temp: float) -> np.ndarray: + """MSP after temperature scaling: ``1 - max softmax(logits / temp)``.""" + return 1.0 - softmax(np.asarray(mean_logits, dtype=float) / temp).max(axis=-1) diff --git a/src/edc/eval/evaluate.py b/src/edc/eval/evaluate.py index aac4b18..5e6662a 100644 --- a/src/edc/eval/evaluate.py +++ b/src/edc/eval/evaluate.py @@ -1,14 +1,282 @@ -"""End-to-end evaluation orchestration. [Phase 3/4] +"""End-to-end selective-prediction evaluation. [Phase 3] -Trains (or loads) a reasoner, runs K-restart inference on the eval + calibration splits, -extracts geometry features, computes every nonconformity score (geometry vs the energy/MSP/ -MC-dropout/ensemble baselines), calibrates the conformal layer, and returns the metrics dict -that ``experiments/run_experiment.py`` writes to the ledger. Phase-1 ``edc.cli smoke`` covers -the train -> infer -> accuracy path; this module adds the geometry + conformal evaluation. +Trains a reasoner, runs K-restart inference on three **disjoint** folds (fit / calib / test, +invariant 7), extracts geometry features, computes every nonconformity score (the learned +geometry mapper, the ``1 - rho_basin`` fallback, and the raw-energy baselines that geometry must +beat — invariant 8), and returns the metrics dict that ``experiments/run_experiment.py`` writes to +the ledger. The centrepiece is the paired-bootstrap ΔAURC(raw energy − geometry) falsification +test and the Learn-then-Test abstention guarantee. + +Plain NumPy over JAX arrays pulled to host (invariant 1): the only JAX is inside the reused +``train`` / ``restarts.solve`` / curvature core. """ from __future__ import annotations +import jax +import jax.numpy as jnp +import numpy as np + +from edc.conformal import ltt +from edc.conformal import nonconformity as nc +from edc.conformal.selective import ABSTAIN, selective_predict +from edc.eval import baselines, metrics +from edc.geometry.features import geometry_features +from edc.inference import restarts +from edc.seeding import numpy_rng, root_key +from edc.train.train_ebm import train + +# alpha levels swept for the coverage-validity figure (F3): achieved selective risk must sit +# at or below the nominal target for a valid distribution-free guarantee. +_ALPHA_GRID = (0.02, 0.05, 0.1, 0.15, 0.2, 0.3) +_COVERAGE_GRID = np.linspace(0.02, 1.0, 50) # F2 risk-coverage sampling grid + + +def _fold(fns, params, cfg, task, split: str, data_stream: int, key) -> dict: + """Run inference on one data fold and return its geometry features + baselines + correctness.""" + rng = numpy_rng(cfg.run.seed, 20, data_stream) + n = cfg.conformal.n_calib if data_stream == 1 else cfg.eval.n_eval + batch = task.sample(rng, n, split=split) + + k_solve, k_geom = jax.random.split(key) + traj = restarts.solve(fns, params, jnp.asarray(batch.x), cfg, k_solve) + feats, names = geometry_features(traj, fns, params, k_geom, grad_tol=cfg.inference.grad_tol) + + pred, _ = restarts.best_of_n_energy(traj) + correct = np.asarray(task.evaluate(np.asarray(pred), batch.y)).astype(bool) + + terminal = np.asarray(traj.terminal_energy) # (B, K) + return { + "features": np.asarray(feats), + "names": names, + "correct": correct, + "accuracy": float(correct.mean()), + "y": np.asarray(batch.y), + # Raw-energy baselines (EBT-style scalar-energy confidence) — higher energy = less + # confident = higher nonconformity score. These are the signals geometry must beat. + "energy_min": terminal.min(axis=1), + "energy_mean": terminal.mean(axis=1), + "energy_std": terminal.std(axis=1), + # Mean decoder logits over restarts -> softmax-confidence baselines (MSP/entropy/temp). + "mean_logits": np.asarray(traj.logits).mean(axis=1), # (B, C) + "rho": np.asarray(feats)[:, names.index("basin/rho")], + } + + +def _resample_curve(scores, correct) -> dict: + """Risk-coverage curve resampled onto ``_COVERAGE_GRID`` (compact, ledger-friendly, F2).""" + coverage, risk = metrics.risk_coverage_curve(scores, correct) + risk_grid = np.interp(_COVERAGE_GRID, coverage, risk) + return {"coverage": _COVERAGE_GRID.tolist(), "risk": risk_grid.tolist()} + + +def _feature_diagnostics(features, names, correct, n_bins: int = 20) -> dict: + """Per-feature correct-vs-incorrect separation (AUROC) + histograms — the F5 mechanism data. + + Compact and fully regenerable: per feature, the single-feature AUROC and 20-bin histograms of + the correct and incorrect subsets over the feature's observed range. + """ + features = np.asarray(features, dtype=float) + correct = np.asarray(correct).astype(bool) + auroc, hist = {}, {} + for j, name in enumerate(names): + col = features[:, j] + auroc[name] = metrics.single_feature_auroc(col, correct) + lo, hi = float(col.min()), float(col.max()) + if hi <= lo: + hi = lo + 1.0 # degenerate/constant feature + edges = np.linspace(lo, hi, n_bins + 1) + c_counts, _ = np.histogram(col[correct], bins=edges) + i_counts, _ = np.histogram(col[~correct], bins=edges) + hist[name] = {"edges": edges.tolist(), + "correct_counts": c_counts.tolist(), + "incorrect_counts": i_counts.tolist()} + return {"names": list(names), "auroc": auroc, "hist": hist} + + +_FEATURE_GROUPS = ("basin", "energy", "curv", "dynamics") + + +def _feature_ablation(fit_feats, fit_correct, test_feats, test_correct, names) -> dict: + """Leave-one-group-out and group-only AURC — which geometry features drive the win (T2/A1). + + Refits the logistic mapper on feature subsets (fit fold, invariant 7) and scores the test fold. + ``drop_energy`` is the key one: does geometry *without* energy columns still beat raw energy? + """ + fit_feats = np.asarray(fit_feats, dtype=float) + test_feats = np.asarray(test_feats, dtype=float) + groups = {g: [j for j, n in enumerate(names) if n.split("/")[0] == g] for g in _FEATURE_GROUPS} + + def aurc_on(cols: list[int]) -> float: + if not cols: + return 0.5 + m = nc.fit_mapper(fit_feats[:, cols], fit_correct) + return metrics.aurc(nc.score(m, test_feats[:, cols]), test_correct) + + out = {"full": aurc_on(list(range(len(names))))} + for g, cols in groups.items(): + out[f"drop_{g}"] = aurc_on([j for j in range(len(names)) if j not in cols]) + out[f"{g}_only"] = aurc_on(cols) + return out + + +def evaluate(cfg, task, include_ood: bool = True) -> dict: + """Train, calibrate, and score geometry vs raw energy on disjoint folds. Returns a metrics dict. + + Folds: ``fit`` (train the nonconformity mapper), ``calib`` (choose the LTT threshold), ``test`` + (report AURC, ΔAURC, and the abstention guarantee). Disjoint and independently seeded so the + conformal guarantees are valid (invariants 7). ΔAURC and the guarantee are read on ``test``; + the mapper never sees it. + + ``include_ood=False`` skips the OOD fold (and its ``accuracy_ood``/``aurc_ood`` metrics), one + quarter of the inference — used by the K-sweep, which only needs the ID falsification numbers. + """ + params, fns, history = train(cfg, task) + + key = root_key(cfg.run.seed) + k_fit, k_cal, k_test, k_ood = jax.random.split(key, 4) + fit = _fold(fns, params, cfg, task, "id", 0, k_fit) + cal = _fold(fns, params, cfg, task, "id", 1, k_cal) + test = _fold(fns, params, cfg, task, "id", 2, k_test) + ood = _fold(fns, params, cfg, task, "ood", 3, k_ood) if include_ood else None + + # --- Fit geometry mapper + temperature on the FIT fold only (invariant 7) ------------------ + mapper = nc.fit_mapper(fit["features"], fit["correct"]) + temperature = baselines.fit_temperature(fit["mean_logits"], fit["y"]) + + def scores_for(fold: dict) -> dict: + """All nonconformity scores on a fold. Low = confident; answer iff score <= threshold.""" + return { + "geometry": nc.score(mapper, fold["features"]), + "rho_basin": nc.rho_basin_score(fold["rho"]), + "energy_min": fold["energy_min"], + "energy_mean": fold["energy_mean"], + "energy_std": fold["energy_std"], + # standard softmax-confidence baselines (Phase 4e) + "msp": baselines.msp_score(fold["mean_logits"]), + "temp_msp": baselines.temp_msp_score(fold["mean_logits"], temperature), + "entropy": baselines.entropy_score(fold["mean_logits"]), + } + + test_scores = scores_for(test) + cal_scores = scores_for(cal) + correct = test["correct"] + + # --- AURC per score + falsification ΔAURC vs (a) raw energy [invariant 8] and (b) the best of + # ALL baselines (energy + softmax-confidence), the stronger claim ----------------------- + aurc = {name: metrics.aurc(s, correct) for name, s in test_scores.items()} + energy_names = ("energy_min", "energy_mean", "energy_std") + baseline_names = (*energy_names, "msp", "temp_msp", "entropy") # everything geometry must beat + best_energy = min(energy_names, key=lambda k: aurc[k]) + best_baseline = min(baseline_names, key=lambda k: aurc[k]) + + n_boot = 2000 + d_min, lo_min, hi_min = metrics.paired_bootstrap_delta_aurc( + test_scores["energy_min"], test_scores["geometry"], correct, n_boot, cfg.run.seed) + d_best, lo_best, hi_best = metrics.paired_bootstrap_delta_aurc( + test_scores[best_energy], test_scores["geometry"], correct, n_boot, cfg.run.seed) + d_bl, lo_bl, hi_bl = metrics.paired_bootstrap_delta_aurc( + test_scores[best_baseline], test_scores["geometry"], correct, n_boot, cfg.run.seed) + geometry_wins = bool(d_best > 0 and lo_best > 0) + geometry_wins_vs_baseline = bool(d_bl > 0 and lo_bl > 0) + + # --- LTT abstention guarantee at the configured (alpha, delta) ------------------------------ + alpha, delta = cfg.conformal.alpha, cfg.conformal.delta + out = ltt.calibrate(cal_scores["geometry"], cal["correct"], alpha, delta) + ltt_block = _ltt_report(out["lambda_hat"], test_scores["geometry"], correct, alpha, delta) + + # --- Coverage-validity sweep (F3: ID) + OOD stress (F6) ------------------------------------- + # The LTT threshold is always calibrated on the ID calib fold; F6 applies that same threshold + # to the OOD test fold, where exchangeability is broken, to exhibit the guarantee failing. + ood_geo = scores_for(ood)["geometry"] if include_ood else None + ood_correct = ood["correct"] if include_ood else None + validity = {"alpha_grid": [], "target": [], "achieved_risk": [], "coverage": []} + ood_validity = ({"target": [], "id_risk": [], "ood_risk": [], "id_coverage": [], + "ood_coverage": []} if include_ood else None) + for a in _ALPHA_GRID: + lam = ltt.calibrate(cal_scores["geometry"], cal["correct"], a, delta)["lambda_hat"] + r_sel, cov = _selective_risk_coverage(lam, test_scores["geometry"], correct) + validity["alpha_grid"].append(a) + validity["target"].append(a) + validity["achieved_risk"].append(r_sel) + validity["coverage"].append(cov) + if include_ood: + r_ood, cov_ood = _selective_risk_coverage(lam, ood_geo, ood_correct) + ood_validity["target"].append(a) + ood_validity["id_risk"].append(r_sel) + ood_validity["ood_risk"].append(r_ood) + ood_validity["id_coverage"].append(cov) + ood_validity["ood_coverage"].append(cov_ood) + + result = { + "n_fit": int(fit["correct"].shape[0]), + "n_calib": int(cal["correct"].shape[0]), + "n_test": int(test["correct"].shape[0]), + "k_restarts": int(cfg.inference.k_restarts), + "accuracy_id": test["accuracy"], + "base_error": float((~correct).mean()), + "final_train_loss": float(history["epochs"][-1]["loss"]), + "feature_names": test["names"], + "aurc": aurc, + "temperature": temperature, + "best_energy_baseline": best_energy, + "best_baseline": best_baseline, + "delta_aurc_vs_energy_min": [d_min, lo_min, hi_min], + "delta_aurc_vs_best_energy": [d_best, lo_best, hi_best], + "delta_aurc_vs_best_baseline": [d_bl, lo_bl, hi_bl], + "geometry_wins": geometry_wins, + "geometry_wins_vs_baseline": geometry_wins_vs_baseline, + "risk_coverage": {name: _resample_curve(s, correct) for name, s in test_scores.items()}, + "ltt": ltt_block, + "coverage_validity": validity, + "feature_diagnostics": _feature_diagnostics(test["features"], test["names"], correct), + "feature_ablation": _feature_ablation( + fit["features"], fit["correct"], test["features"], correct, test["names"]), + "ece_geometry": metrics.ece(1.0 - test_scores["geometry"], correct), + } + if include_ood: + result["accuracy_ood"] = ood["accuracy"] + result["aurc_ood"] = {n: metrics.aurc(s, ood["correct"]) + for n, s in scores_for(ood).items()} + # F6: the ID-calibrated threshold at the configured alpha, evaluated on OOD (expect break). + r_ood, cov_ood = _selective_risk_coverage(out["lambda_hat"], ood_geo, ood_correct) + result["ood_ltt"] = { + "alpha": alpha, + "lambda_hat": out["lambda_hat"], + "selective_risk": r_ood, + "coverage": cov_ood, + "risk_within_budget": bool(cov_ood == 0 or r_ood <= alpha), + } + result["ood_validity"] = ood_validity + return result + + +def _selective_risk_coverage(lam, scores, correct): + """``(selective_risk, coverage)`` at threshold ``lam`` on a fold; abstain-everything if None.""" + if lam is None: + return 0.0, 0.0 # abstain on everything -> no answered errors, zero coverage + scores = np.asarray(scores, dtype=float) + answered = scores <= lam + cov = float(answered.mean()) + if not answered.any(): + return 0.0, 0.0 + r_sel = float((~np.asarray(correct).astype(bool)[answered]).mean()) + return r_sel, cov + -def evaluate(cfg, task): - raise NotImplementedError("Phase 3/4: full geometry + conformal evaluation pipeline.") +def _ltt_report(lam, scores, correct, alpha, delta) -> dict: + """Selective-prediction metrics at the LTT-chosen threshold on the test fold.""" + r_sel, cov = _selective_risk_coverage(lam, scores, correct) + answers = selective_predict(np.zeros_like(np.asarray(correct), dtype=int), + scores, lam if lam is not None else float("-inf")) + abstain_rate = float((answers == ABSTAIN).mean()) + return { + "alpha": alpha, + "delta": delta, + "lambda_hat": lam, + "coverage": cov, + "abstain_rate": abstain_rate, + "selective_risk": r_sel, + "selective_accuracy": 1.0 - r_sel if cov > 0 else None, + "risk_within_budget": bool(cov == 0 or r_sel <= alpha), + } diff --git a/src/edc/eval/evaluate_halting.py b/src/edc/eval/evaluate_halting.py new file mode 100644 index 0000000..adb30e4 --- /dev/null +++ b/src/edc/eval/evaluate_halting.py @@ -0,0 +1,98 @@ +"""End-to-end adaptive-halting evaluation (the CRC guarantee). [Phase 4b] + +Trains a reasoner, records the per-step decoded answers on disjoint calib/test folds +(``restarts.solve(record_steps=True)``), CRC-calibrates the basin-agreement halting threshold on +calib, and reports on test: compute saved, halting risk (disagreement with the full-budget answer) +vs the budget ``alpha``, end-task accuracy retained, and a tau-sweep for the F4 Pareto. Returns the +JSON-safe metrics dict that ``experiments/run_halting.py`` writes to the ledger. + +Plain NumPy over JAX arrays pulled to host (invariant 1); the only JAX is the reused train/solve +core. Randomness via ``edc.seeding`` (invariant 4). +""" + +from __future__ import annotations + +import jax +import numpy as np + +from edc.halting import adaptive +from edc.inference import restarts +from edc.seeding import numpy_rng, root_key +from edc.train.train_ebm import train + + +def _fold(fns, params, cfg, task, data_stream: int, key) -> dict: + """Sample a fold and run K-restart inference with per-step decoding recorded.""" + rng = numpy_rng(cfg.run.seed, 30, data_stream) + n = cfg.conformal.n_calib if data_stream == 0 else cfg.eval.n_eval + batch = task.sample(rng, n, split="id") + import jax.numpy as jnp + + traj = restarts.solve(fns, params, jnp.asarray(batch.x), cfg, key, record_steps=True) + pred_full, _ = restarts.best_of_n_energy(traj) + return { + "step_pred": np.asarray(traj.step_pred), # (B, K, T+1) + "energies": np.asarray(traj.energies), # (B, K, T+1) + "y": np.asarray(batch.y), + "pred_full": np.asarray(pred_full), # best-of-N at full budget + } + + +def _accuracy(pred, y) -> float: + return float(np.mean(np.asarray(pred) == np.asarray(y))) + + +def evaluate_halting(cfg, task) -> dict: + """Train, CRC-calibrate the halting threshold on calib, and report the test compute/accuracy.""" + params, fns, history = train(cfg, task) + key = root_key(cfg.run.seed) + k_cal, k_test = jax.random.split(key) + cal = _fold(fns, params, cfg, task, 0, k_cal) + test = _fold(fns, params, cfg, task, 1, k_test) + + K = int(cfg.inference.k_restarts) + # Candidate agreement thresholds: multiples of 1/K span the achievable agreement range. + taus = np.round(np.linspace(1.0 / K, 1.0, K), 4) + + cal_out = adaptive.calibrate(cal["step_pred"], cal["energies"], cfg.conformal.alpha, taus) + tau_hat = cal_out["tau_hat"] + + full_acc = _accuracy(test["pred_full"], test["y"]) + + # tau-sweep on the TEST fold for F4: compute used, accuracy vs labels, disagreement with full. + sweep = {"taus": taus.tolist(), "compute_used": [], "accuracy": [], "disagreement": []} + for tau in taus: + early, compute = adaptive.halted_predictions(test["step_pred"], test["energies"], tau) + sweep["compute_used"].append(float(compute.mean())) + sweep["accuracy"].append(_accuracy(early, test["y"])) + sweep["disagreement"].append(float(np.mean(early != test["pred_full"]))) + + # The CRC-chosen operating point on test. + if tau_hat is not None: + early, compute = adaptive.halted_predictions(test["step_pred"], test["energies"], tau_hat) + halting_risk = float(np.mean(early != test["pred_full"])) + halted_acc = _accuracy(early, test["y"]) + compute_used = float(compute.mean()) + else: + halting_risk, halted_acc, compute_used = 0.0, full_acc, 1.0 # infeasible => never halt + + return { + "k_restarts": K, + "steps": int(cfg.inference.steps), + "alpha": float(cfg.conformal.alpha), + "n_calib": int(cal["y"].shape[0]), + "n_test": int(test["y"].shape[0]), + "final_train_loss": float(history["epochs"][-1]["loss"]), + "tau_hat": tau_hat, + "compute_used": compute_used, + "compute_saved": 1.0 - compute_used, + "halting_risk": halting_risk, + "risk_within_budget": bool(halting_risk <= cfg.conformal.alpha), + "full_accuracy": full_acc, + "halted_accuracy": halted_acc, + "accuracy_drop": full_acc - halted_acc, + "risk_monotone_in_tau": cal_out["risk_monotone_in_tau"], + "calib_risk_by_tau": cal_out["risk_by_tau"], + "calib_compute_by_tau": cal_out["compute_by_tau"], + "tau_sweep": sweep, + } diff --git a/src/edc/eval/metrics.py b/src/edc/eval/metrics.py index b72935d..6cee494 100644 --- a/src/edc/eval/metrics.py +++ b/src/edc/eval/metrics.py @@ -8,19 +8,136 @@ from __future__ import annotations import numpy as np +from scipy.stats import rankdata + +from edc.seeding import numpy_rng def accuracy(pred: np.ndarray, y: np.ndarray) -> float: return float(np.mean(np.asarray(pred) == np.asarray(y))) +def single_feature_auroc(feature: np.ndarray, correct: np.ndarray) -> float: + """AUROC of a single scalar ``feature`` separating correct from incorrect answers. + + ``P(feature[correct] > feature[incorrect])`` via the Mann-Whitney rank statistic (ties + count as 0.5). A value near 0.5 means no separation; far from 0.5 (in either direction — + the feature's sign is not assumed) means the feature carries correctness signal. This is a + Phase-2 *diagnostic*; the Phase-3 selective-prediction metric is ``aurc`` (still stubbed). + Returns 0.5 when either class is empty (undefined). + """ + feature = np.asarray(feature, dtype=float) + correct = np.asarray(correct).astype(bool) + n_pos = int(correct.sum()) + n_neg = int((~correct).sum()) + if n_pos == 0 or n_neg == 0: + return 0.5 + ranks = rankdata(feature) # average ranks, ties shared + return float((ranks[correct].sum() - n_pos * (n_pos + 1) / 2) / (n_pos * n_neg)) + + +def _errors_by_confidence(scores: np.ndarray, correct: np.ndarray) -> np.ndarray: + """Per-point error (``~correct``) reordered most-confident first, tie-robust. + + Convention: the nonconformity ``score`` is LOW when confident, so an ascending sort puts the + answers we would keep first. **Tied scores share their group-mean error** — the expected risk + under random tie-breaking — so the curve (and AURC) does not depend on incidental input order + within a tie group. This matters for scores with few distinct values (e.g. ``rho_basin`` over + K restarts) so the geometry-vs-energy comparison stays fair. + """ + scores = np.asarray(scores, dtype=float) + correct = np.asarray(correct).astype(bool) + if scores.shape[0] != correct.shape[0]: + raise ValueError("scores and correct must have the same length") + if scores.shape[0] == 0: + raise ValueError("need at least one point") + order = np.argsort(scores, kind="stable") + err = (~correct[order]).astype(float) + # Replace each point's error by its tie-group mean (groups are contiguous after the sort). + _, inv = np.unique(scores[order], return_inverse=True) + inv = inv.ravel() + group_mean = np.bincount(inv, weights=err) / np.bincount(inv) + return group_mean[inv] + + def risk_coverage_curve(scores, correct): # F2 / AURC - raise NotImplementedError("Phase 3: sort by score, sweep coverage, return (coverage, risk).") + """Return ``(coverage, risk)``, each ``(n,)``, sweeping coverage from the most-confident point. + + At coverage ``c = (i+1)/n`` we answer the ``i+1`` lowest-score inputs; ``risk`` is the error + rate among them (``cumsum(error)/(i+1)``). ``risk[-1]`` is the base error rate (full coverage). + Ties in ``scores`` split across the prefix boundary — fine for the scalar AURC summary and for + a diagnostic curve (conformal thresholds admit whole tie-groups anyway). + """ + e = _errors_by_confidence(scores, correct) + n = e.shape[0] + coverage = np.arange(1, n + 1, dtype=float) / n + risk = np.cumsum(e) / np.arange(1, n + 1) + return coverage, risk def aurc(scores, correct) -> float: - raise NotImplementedError("Phase 3: area under the risk-coverage curve.") + """Area under the risk-coverage curve = mean selective risk over the uniform coverage grid. + + Lower is better: a ranker that pushes all errors to the least-confident tail minimises every + prefix risk. Equals the base error rate when scores carry no ranking signal (all ties). + """ + e = _errors_by_confidence(scores, correct) + return float(np.mean(e.cumsum() / np.arange(1, e.shape[0] + 1))) + + +def selective_accuracy_at_coverage(scores, correct, coverage: float) -> float: + """Selective accuracy (``1 - risk``) when answering the most-confident ``coverage`` fraction.""" + if not 0.0 < coverage <= 1.0: + raise ValueError("coverage must be in (0, 1]") + e = _errors_by_confidence(scores, correct) + k = max(1, int(round(coverage * e.shape[0]))) + return float(1.0 - e[:k].mean()) + + +def ece(prob_correct, correct, n_bins: int = 10) -> float: + """Expected calibration error of a ``p_hat(correct)`` estimate, equal-width binning. + + ``sum_b (n_b/n) * |acc_b - conf_b|`` — the standard reliability-diagram summary. Used as a + reported calibration number alongside the distribution-free guarantees. + """ + p = np.asarray(prob_correct, dtype=float) + y = np.asarray(correct).astype(float) + if p.shape[0] == 0: + raise ValueError("need at least one point") + edges = np.linspace(0.0, 1.0, n_bins + 1) + idx = np.clip(np.digitize(p, edges[1:-1], right=False), 0, n_bins - 1) + total = 0.0 + for b in range(n_bins): + mask = idx == b + if not mask.any(): + continue + total += mask.mean() * abs(y[mask].mean() - p[mask].mean()) + return float(total) + + +def paired_bootstrap_delta_aurc(scores_a, scores_b, correct, n_boot: int = 1000, seed: int = 0): + """Paired-bootstrap CI on ``ΔAURC = AURC(a) - AURC(b)`` — the falsification test (invariant 8). + ``a`` = raw terminal energy, ``b`` = geometry. Each bootstrap iterate resamples one index + vector with replacement and applies it to *both* scorers and ``correct`` (the pairing cancels + shared test-set variance). Returns ``(delta, lo, hi)`` with a 95% percentile CI. **Geometry + wins iff ``delta > 0`` and ``lo > 0``** (its AURC is lower); a CI containing 0 falsifies the + core claim. Randomness flows only through ``edc.seeding`` (invariant 4). + """ + if n_boot <= 0: + raise ValueError("n_boot must be positive") + sa = np.asarray(scores_a, dtype=float) + sb = np.asarray(scores_b, dtype=float) + c = np.asarray(correct).astype(bool) + n = c.shape[0] + if not (sa.shape[0] == sb.shape[0] == n): + raise ValueError("scores_a, scores_b, correct must have equal length") -def paired_bootstrap_delta_aurc(scores_a, scores_b, correct, n_boot: int = 1000): - raise NotImplementedError("Phase 3: bootstrap CI on AURC(a) - AURC(b); the falsification test.") + delta = aurc(sa, c) - aurc(sb, c) + rng = numpy_rng(seed, 101) # 101 = the ΔAURC bootstrap substream + deltas = np.empty(n_boot, dtype=float) + for b in range(n_boot): + idx = rng.integers(0, n, size=n) + deltas[b] = aurc(sa[idx], c[idx]) - aurc(sb[idx], c[idx]) + lo, hi = np.quantile(deltas, [0.025, 0.975]) + return float(delta), float(lo), float(hi) diff --git a/src/edc/geometry/basin.py b/src/edc/geometry/basin.py index 8d400af..68b204c 100644 --- a/src/edc/geometry/basin.py +++ b/src/edc/geometry/basin.py @@ -2,11 +2,50 @@ Do independent restarts land in the same answer / same latent basin? Plurality fraction ``rho_basin``, decoded-answer entropy, and latent-cluster separation. Hypothesis: high -agreement => reliable. Must be computable under ``vmap`` over restarts. +agreement => reliable. + +Plain NumPy (invariant 1), fixed-shape and vectorized over the K axis. """ from __future__ import annotations +import numpy as np + +from edc.inference.trajectory import TrajectoryRecord + + +def basin_features(traj: TrajectoryRecord) -> tuple[np.ndarray, list[str]]: + """``(B, 3)`` basin-agreement features plus names. + + * ``basin/rho`` — plurality fraction of decoded answers across restarts (1 => all + restarts agree). + * ``basin/entropy`` — Shannon entropy (nats) of the decoded-answer distribution + (0 => unanimous, higher => scattered). + * ``basin/dispersion`` — mean pairwise Euclidean distance between restart endpoints + ``z*`` (small => restarts converge to one basin). + """ + pred = np.asarray(traj.pred) # (B, K) + z = np.asarray(traj.z_star, dtype=float) # (B, K, d) + B, K = pred.shape + n_classes = int(np.asarray(traj.logits).shape[-1]) + + # Per-input class counts across restarts -> (B, C). + counts = np.zeros((B, n_classes), dtype=float) + np.add.at(counts, (np.arange(B)[:, None], pred), 1.0) + + rho = counts.max(axis=1) / K + probs = counts / K + with np.errstate(divide="ignore", invalid="ignore"): + logp = np.where(probs > 0, np.log(probs), 0.0) + entropy = -(probs * logp).sum(axis=1) + + # Mean pairwise distance between the K endpoints, per input. + diff = z[:, :, None, :] - z[:, None, :, :] # (B, K, K, d) + dist = np.linalg.norm(diff, axis=-1) # (B, K, K) + if K > 1: + dispersion = dist.sum(axis=(1, 2)) / (K * (K - 1)) # off-diagonal mean + else: + dispersion = np.zeros(B) -def basin_features(traj): - raise NotImplementedError("Phase 2: rho_basin, answer entropy, latent cluster separation.") + feats = np.stack([rho, entropy, dispersion], axis=1) + return feats, ["basin/rho", "basin/entropy", "basin/dispersion"] diff --git a/src/edc/geometry/curvature.py b/src/edc/geometry/curvature.py index e5bf073..4a3432d 100644 --- a/src/edc/geometry/curvature.py +++ b/src/edc/geometry/curvature.py @@ -28,7 +28,7 @@ def hvp(f, z, v): def lambda_max(f, z, key, iters: int = 12) -> jnp.ndarray: """Top Hessian eigenvalue at ``z`` via power iteration (sharpness of the basin).""" - v = jax.random.normal(key, z.shape) + v = jax.random.normal(key, z.shape, dtype=z.dtype) v = v / (jnp.linalg.norm(v) + 1e-12) lam = jnp.array(0.0) for _ in range(iters): @@ -57,3 +57,25 @@ def f(z): return jnp.squeeze(energy(params, h_x_row[None, :], z[None, :])) return f + + +def batched_curvature(energy, params, contexts, zs, key, iters: int = 12, n_probes: int = 8): + """Per-particle ``(lambda_max, tr(H))`` for a flat batch of ``N`` particles. + + This is the JAX-side entry point the (plain-NumPy) Phase-2 feature assembler calls, so all + per-input Hessian-vector products and their ``vmap`` over restarts stay confined to the JAX + core (invariant 1). ``contexts`` is ``(N, dc)`` and ``zs`` is ``(N, d)`` — flattened + ``B*K`` particles exactly as ``inference.restarts.solve`` lays them out. Each particle gets + its own PRNG stream (one key for power iteration, one for the Hutchinson probes) so the + estimate is a pure function of ``key``. Returns ``(lmax (N,), trace (N,))``. + """ + n = zs.shape[0] + keys = jax.random.split(key, n) + + def one(h_row, z_row, k): + k_lam, k_tr = jax.random.split(k) + f = energy_at(energy, params, h_row) + return (lambda_max(f, z_row, k_lam, iters=iters), + hutchinson_trace(f, z_row, k_tr, n_probes=n_probes)) + + return jax.vmap(one)(contexts, zs, keys) diff --git a/src/edc/geometry/dynamics.py b/src/edc/geometry/dynamics.py index 972f0ef..a16997e 100644 --- a/src/edc/geometry/dynamics.py +++ b/src/edc/geometry/dynamics.py @@ -1,14 +1,44 @@ """Descent-dynamics features from the energy/gradient trajectories. [Phase 2] Steps-to-convergence (first step with ``||grad|| < grad_tol``), monotonicity fraction -(fraction of steps with ΔE < 0), area under the energy curve, and terminal gradient norm -(residual stationarity). Slow, non-monotone, high-residual descents => hypothesised unreliable. +(fraction of steps with ΔE < 0), total energy drop, and terminal gradient norm (residual +stationarity). Slow, non-monotone, high-residual descents => hypothesised unreliable. + +Computed per restart from the ``(B, K, ...)`` curves, then averaged over the K restarts to a +per-input ``(B, ...)`` value. Plain NumPy (invariant 1). """ from __future__ import annotations +import numpy as np + +from edc.inference.trajectory import TrajectoryRecord + + +def dynamics_features(traj: TrajectoryRecord, grad_tol: float) -> tuple[np.ndarray, list[str]]: + """``(B, 4)`` descent-dynamics features (mean over restarts) plus names.""" + energies = np.asarray(traj.energies, dtype=float) # (B, K, T+1) + gnorms = np.asarray(traj.grad_norms, dtype=float) # (B, K, T) + T = gnorms.shape[-1] + + # Steps-to-converge: first step under grad_tol, else T. Normalise by T to keep it in [0, 1]. + below = gnorms < grad_tol # (B, K, T) + any_below = below.any(axis=-1) + first = below.argmax(axis=-1) # 0 when none are below + steps = np.where(any_below, first, T).astype(float) / T + + # Monotonicity: fraction of steps where energy decreased. + de = np.diff(energies, axis=-1) # (B, K, T) + monotonic = (de < 0).mean(axis=-1) + + # Total energy drop from the initial point to the endpoint. + drop = energies[..., 0] - energies[..., -1] # (B, K) + + # Terminal residual: last-step gradient norm (stationarity proxy at ~z*). + residual = np.asarray(traj.terminal_grad_norm, dtype=float) # (B, K) -def dynamics_features(traj, grad_tol: float): - raise NotImplementedError( - "Phase 2: steps-to-converge, monotonicity fraction, AUC, terminal residual." + feats = np.stack( + [steps.mean(axis=1), monotonic.mean(axis=1), drop.mean(axis=1), residual.mean(axis=1)], + axis=1, ) + return feats, ["dynamics/steps", "dynamics/monotonic", "dynamics/drop", "dynamics/residual"] diff --git a/src/edc/geometry/energy_stats.py b/src/edc/geometry/energy_stats.py index 24a1a32..e9ad8cd 100644 --- a/src/edc/geometry/energy_stats.py +++ b/src/edc/geometry/energy_stats.py @@ -3,10 +3,19 @@ Mean, min, and spread of the terminal energy over the K restarts. These reproduce the **scalar-energy / best-of-N** signal that Energy-Based Transformers use — here they are just features, and the falsification test is whether the geometry features beat them (ΔAURC). + +Plain NumPy (invariant 1): JAX stays in ``energy/``, ``inference/`` and ``curvature.py``. """ from __future__ import annotations +import numpy as np + +from edc.inference.trajectory import TrajectoryRecord + -def energy_features(traj): - raise NotImplementedError("Phase 2: mean/min/std of terminal energy across restarts.") +def energy_features(traj: TrajectoryRecord) -> tuple[np.ndarray, list[str]]: + """``(B, 3)`` mean/min/std of terminal energy across restarts, plus feature names.""" + e = np.asarray(traj.terminal_energy, dtype=float) # (B, K) + feats = np.stack([e.mean(axis=1), e.min(axis=1), e.std(axis=1)], axis=1) + return feats, ["energy/mean", "energy/min", "energy/std"] diff --git a/src/edc/geometry/features.py b/src/edc/geometry/features.py index fbbc657..85e7812 100644 --- a/src/edc/geometry/features.py +++ b/src/edc/geometry/features.py @@ -3,15 +3,61 @@ Combines: basin agreement (``basin``), terminal-energy statistics (``energy_stats``), curvature (``curvature``), and descent dynamics (``dynamics``) into the nonconformity feature vector that Phase-3 conformal calibration consumes. This is the paper's contribution. + +Plain NumPy assembler (invariant 1): the only JAX touched here is behind +``curvature.batched_curvature``, whose output is immediately pulled back to NumPy. """ from __future__ import annotations +import numpy as np + +from edc.geometry import curvature +from edc.geometry.basin import basin_features +from edc.geometry.dynamics import dynamics_features +from edc.geometry.energy_stats import energy_features from edc.inference.trajectory import TrajectoryRecord -def geometry_features(traj: TrajectoryRecord, fns, params, key): - """Return ``(B, n_features)`` array + feature-name list. Implemented in Phase 2.""" - raise NotImplementedError( - "Phase 2: assemble basin + energy_stats + curvature + dynamics features." +def _curvature_features(traj, fns, params, key) -> tuple[np.ndarray, list[str]]: + """``(B, 4)`` curvature summaries: mean over restarts and value at the min-energy restart.""" + z = np.asarray(traj.z_star, dtype=float) # (B, K, d) + B, K, d = z.shape + h_x = np.asarray(traj.h_x, dtype=float) # (B, dc) + + # Flatten to N = B*K particles exactly as inference.restarts lays them out (particle + # (b, k) at index b*K + k), tiling the shared per-input context to match. + contexts = np.repeat(h_x, K, axis=0) # (N, dc) + zs = z.reshape(B * K, d) # (N, d) + + lmax, trace = curvature.batched_curvature(fns.energy, params, contexts, zs, key) + lmax = np.asarray(lmax, dtype=float).reshape(B, K) + trace = np.asarray(trace, dtype=float).reshape(B, K) + + # "Best" restart = lowest terminal energy (the best-of-N answer we would report). + best = np.asarray(traj.terminal_energy, dtype=float).argmin(axis=1) # (B,) + rows = np.arange(B) + feats = np.stack( + [lmax.mean(axis=1), lmax[rows, best], trace.mean(axis=1), trace[rows, best]], + axis=1, ) + return feats, ["curv/lmax_mean", "curv/lmax_best", "curv/trace_mean", "curv/trace_best"] + + +def geometry_features( + traj: TrajectoryRecord, fns, params, key, grad_tol: float = 1e-3 +) -> tuple[np.ndarray, list[str]]: + """Return ``((B, n_features) array, feature-name list)``. + + Concatenates the four feature groups (basin, energy stats, curvature, dynamics) in a + fixed order. ``key`` seeds the curvature HVP estimators; ``grad_tol`` sets the + convergence threshold for the dynamics ``steps`` feature (pass ``cfg.inference.grad_tol``). + """ + b_feats, b_names = basin_features(traj) + e_feats, e_names = energy_features(traj) + c_feats, c_names = _curvature_features(traj, fns, params, key) + d_feats, d_names = dynamics_features(traj, grad_tol) + + feats = np.concatenate([b_feats, e_feats, c_feats, d_feats], axis=1) + names = [*b_names, *e_names, *c_names, *d_names] + return feats, names diff --git a/src/edc/halting/adaptive.py b/src/edc/halting/adaptive.py index ff17c77..88ba0fe 100644 --- a/src/edc/halting/adaptive.py +++ b/src/edc/halting/adaptive.py @@ -1,13 +1,129 @@ -"""Geometry-driven adaptive halting policy. [Phase 3] +"""Geometry-driven adaptive halting policy. [Phase 4b] -Stop the descent as soon as a geometry-based certificate (e.g. basin agreement / curvature -crossing a CRC-calibrated threshold) says the answer is settled, saving compute versus a fixed -step budget — with a guaranteed error budget from ``edc.conformal.crc``. Produces the -compute-vs-accuracy Pareto (figure F4). +Stop the K-restart descent as soon as **basin agreement** — the plurality fraction of decoded +answers across restarts — crosses a threshold ``tau``, saving compute versus the fixed step budget. +The halting loss ``L(tau) = 1[early-stopped best-of-N answer != full-budget best-of-N answer]`` is +bounded in [0,1]; Conformal Risk Control (``edc.conformal.crc``) picks the most compute-saving +``tau`` with ``E[L] <= alpha`` in finite samples. Produces the compute-vs-accuracy Pareto (F4). + +Plain NumPy over ``TrajectoryRecord.step_pred`` / ``energies`` (invariant 1); the reparametrisation +``lambda = 1 - tau`` orients the sweep so CRC's "largest admissible lambda = most compute saved" +convention selects the most aggressive safe halt. """ from __future__ import annotations +import numpy as np + +from edc.conformal import crc + + +def per_step_agreement(step_pred) -> np.ndarray: + """``(B, T+1)`` basin agreement at each descent step: plurality fraction across the K restarts. + + ``step_pred`` is ``(B, K, T+1)`` decoded classes (from ``restarts.solve(record_steps=True)``). + 1.0 => all restarts decode the same answer at that step; low => scattered. Same plurality + definition as ``geometry.basin.basin_features``, vectorised over the step axis. + """ + step_pred = np.asarray(step_pred) + B, K, T1 = step_pred.shape + n_classes = int(step_pred.max()) + 1 + counts = np.zeros((B, T1, n_classes), dtype=float) + b_idx = np.arange(B)[:, None, None] + t_idx = np.arange(T1)[None, None, :] + np.add.at(counts, (b_idx, t_idx, step_pred), 1.0) # (B, T+1, C) + return counts.max(axis=2) / K # (B, T+1) + + +def halting_policy(agreement_row, tau: float) -> int: + """First step index whose agreement ``>= tau`` for one input; else the full budget ``T``. + + ``agreement_row`` is ``(T+1,)``. Returns an index in ``[0, T]`` (T = last = full budget). + """ + a = np.asarray(agreement_row, dtype=float) + hits = np.nonzero(a >= tau)[0] + return int(hits[0]) if hits.size else a.shape[0] - 1 + + +def _stop_steps(agreement: np.ndarray, tau: float) -> np.ndarray: + """Vectorised ``halting_policy`` over inputs: ``(B,)`` stop indices at threshold ``tau``.""" + mask = agreement >= tau # (B, T+1) + T = agreement.shape[1] - 1 + return np.where(mask.any(axis=1), mask.argmax(axis=1), T) + + +def _best_of_n_at(step_pred: np.ndarray, energies: np.ndarray, stop_t: np.ndarray) -> np.ndarray: + """Best-of-N (lowest-energy restart) decoded answer at per-input step ``stop_t`` -> ``(B,)``.""" + B, K, _ = step_pred.shape + rows = np.arange(B) + e_at = energies[rows[:, None], np.arange(K)[None, :], stop_t[:, None]] # (B, K) + k_best = e_at.argmin(axis=1) # (B,) + return step_pred[rows, k_best, stop_t] # (B,) + + +def halted_predictions(step_pred, energies, tau: float): + """``(early_pred (B,), compute_used (B,))`` under the halting policy at threshold ``tau``. + + The reported answer is best-of-N (lowest energy) at the agreement-triggered stop step; compute + used is the fraction of the step budget consumed. Used by the evaluator (accuracy vs labels) and + the F4 Pareto. + """ + step_pred = np.asarray(step_pred) + energies = np.asarray(energies, dtype=float) + T = step_pred.shape[2] - 1 + stop_t = _stop_steps(per_step_agreement(step_pred), tau) + return _best_of_n_at(step_pred, energies, stop_t), stop_t / T + + +def halting_losses(step_pred, energies, taus): + """Per-input halting loss and compute fraction for each ``tau``. + + Returns ``(loss, compute_used)`` each ``(B, n_tau)``: ``loss = 1[early answer != full answer]`` + where the early answer is best-of-N at the agreement-triggered stop step and the full answer is + best-of-N at the final step; ``compute_used = stop_step / T`` (fraction of the step budget). + """ + step_pred = np.asarray(step_pred) + energies = np.asarray(energies, dtype=float) + B, K, T1 = step_pred.shape + T = T1 - 1 + agreement = per_step_agreement(step_pred) + full = _best_of_n_at(step_pred, energies, np.full(B, T)) # best-of-N at the final step + + taus = np.asarray(taus, dtype=float) + loss = np.empty((B, taus.shape[0])) + compute = np.empty((B, taus.shape[0])) + for j, tau in enumerate(taus): + stop_t = _stop_steps(agreement, tau) + early = _best_of_n_at(step_pred, energies, stop_t) + loss[:, j] = (early != full).astype(float) + compute[:, j] = stop_t / T + return loss, compute + + +def calibrate(step_pred_cal, energies_cal, alpha: float, taus) -> dict: + """CRC-calibrate the halting threshold ``tau`` at error budget ``alpha`` on a calibration fold. + + Reparametrises ``lambda = 1 - tau`` so ascending ``lambda`` means a lower agreement bar => stop + earlier => weakly more disagreement and more compute saved, matching ``crc.calibrate``'s + "largest admissible lambda = most compute saved". Returns ``tau_hat`` (most aggressive safe + threshold, or ``None`` if the budget is infeasible) plus the per-tau risk/compute curves and a + monotonicity flag (CRC assumes the risk is monotone in the threshold). + """ + taus = np.asarray(taus, dtype=float) + loss, compute = halting_losses(step_pred_cal, energies_cal, taus) + risk_by_tau = loss.mean(axis=0) + compute_by_tau = compute.mean(axis=0) + + lambda_hat = crc.calibrate(loss, alpha, lambdas=1.0 - taus) + tau_hat = None if lambda_hat is None else float(1.0 - lambda_hat) -def halting_policy(traj, threshold): - raise NotImplementedError("Phase 3: per-input stop step from geometry crossing a threshold.") + # Risk should be non-increasing as tau rises (later stop). Flag material violations. + monotone = bool(np.all(np.diff(risk_by_tau) <= 1e-9)) + return { + "tau_hat": tau_hat, + "alpha": float(alpha), + "taus": taus.tolist(), + "risk_by_tau": risk_by_tau.tolist(), + "compute_by_tau": compute_by_tau.tolist(), + "risk_monotone_in_tau": monotone, + } diff --git a/src/edc/inference/optimizer.py b/src/edc/inference/optimizer.py index 38174ec..e028973 100644 --- a/src/edc/inference/optimizer.py +++ b/src/edc/inference/optimizer.py @@ -25,7 +25,8 @@ def total_energy(z): return jax.grad(total_energy) -def langevin_descent(energy, params, h_x, z0, key, step_size, temperature, steps): +def langevin_descent(energy, params, h_x, z0, key, step_size, temperature, steps, + record_z: bool = False): """Descend ``N`` particles for ``steps`` steps. Args: @@ -33,26 +34,46 @@ def langevin_descent(energy, params, h_x, z0, key, step_size, temperature, steps h_x: ``(N, context_dim)``. z0: ``(N, d)`` initial latents. key: JAX PRNG key for the Langevin noise. + record_z: also return the full latent trajectory (for per-step decoding / halting). - Returns ``(z_final, energies, grad_norms)`` with + Returns ``(z_final, energies, grad_norms, z_traj)`` with ``energies`` shape ``(steps+1, N)`` (row 0 = initial), - ``grad_norms`` shape ``(steps, N)`` (norm of the gradient used at each step). + ``grad_norms`` shape ``(steps, N)`` (norm of the gradient used at each step), + ``z_traj`` shape ``(steps+1, N, d)`` (row 0 = ``z0``) when ``record_z`` else ``None``. """ grad_fn = _per_particle_grad(energy, params, h_x) noise_scale = jnp.sqrt(2.0 * step_size * temperature) - def step(carry, _): - z, k = carry + def _update(z, k): k, sub = jax.random.split(k) g = grad_fn(z) # (N, d) z_new = z - step_size * g + noise_scale * jax.random.normal(sub, z.shape) e_new = energy(params, h_x, z_new) # (N,) gnorm = jnp.linalg.norm(g, axis=-1) # (N,) - return (z_new, k), (e_new, gnorm) + return z_new, k, e_new, gnorm e0 = energy(params, h_x, z0) # (N,) - (z_final, _), (e_steps, gnorms) = jax.lax.scan( - step, (z0, key), None, length=steps - ) + + if record_z: + def step(carry, _): + z, k = carry + z_new, k, e_new, gnorm = _update(z, k) + return (z_new, k), (e_new, gnorm, z_new) + + (z_final, _), (e_steps, gnorms, z_steps) = jax.lax.scan( + step, (z0, key), None, length=steps + ) + z_traj = jnp.concatenate([z0[None], z_steps], axis=0) # (steps+1, N, d) + else: + def step(carry, _): + z, k = carry + z_new, k, e_new, gnorm = _update(z, k) + return (z_new, k), (e_new, gnorm) + + (z_final, _), (e_steps, gnorms) = jax.lax.scan( + step, (z0, key), None, length=steps + ) + z_traj = None + energies = jnp.concatenate([e0[None, :], e_steps], axis=0) # (steps+1, N) - return z_final, energies, gnorms + return z_final, energies, gnorms, z_traj diff --git a/src/edc/inference/restarts.py b/src/edc/inference/restarts.py index abf6e35..2b7511a 100644 --- a/src/edc/inference/restarts.py +++ b/src/edc/inference/restarts.py @@ -18,8 +18,14 @@ from edc.inference.trajectory import TrajectoryRecord -def solve(fns: ReasonerFns, params, x, cfg, key, k_restarts: int | None = None) -> TrajectoryRecord: - """Run K-restart inference on a batch of raw inputs ``x`` (``(B, feature_dim)``).""" +def solve(fns: ReasonerFns, params, x, cfg, key, k_restarts: int | None = None, + record_steps: bool = False) -> TrajectoryRecord: + """Run K-restart inference on a batch of raw inputs ``x`` (``(B, feature_dim)``). + + ``record_steps=True`` additionally decodes the latent at *every* descent step and stores the + per-step class in ``TrajectoryRecord.step_pred`` (B, K, T+1) — the raw material adaptive halting + needs. It costs one extra decode over all ``(T+1)*N`` intermediate latents, so it is opt-in. + """ K = int(k_restarts if k_restarts is not None else cfg.inference.k_restarts) d = fns.latent_dim @@ -32,11 +38,12 @@ def solve(fns: ReasonerFns, params, x, cfg, key, k_restarts: int | None = None) key_init, key_lan = jax.random.split(key) z0 = cfg.inference.init_scale * jax.random.normal(key_init, (B * K, d)) - z_final, energies, gnorms = langevin_descent( + z_final, energies, gnorms, z_traj = langevin_descent( fns.energy, params, h_rep, z0, key_lan, step_size=cfg.inference.step_size, temperature=cfg.inference.temperature, steps=cfg.inference.steps, + record_z=record_steps, ) logits = fns.decode(params, z_final) # (N, C) @@ -45,12 +52,21 @@ def solve(fns: ReasonerFns, params, x, cfg, key, k_restarts: int | None = None) def to_bk(a): return jnp.reshape(a, (B, K) + a.shape[1:]) + step_pred = None + if record_steps: + T1 = z_traj.shape[0] # steps + 1 + step_logits = fns.decode(params, z_traj.reshape(T1 * B * K, d)) # ((T+1)*N, C) + step_cls = jnp.argmax(step_logits, axis=-1).reshape(T1, B * K) # (T+1, N) + step_pred = to_bk(step_cls.T) # (N, T+1) -> (B, K, T+1) + return TrajectoryRecord( z_star=to_bk(z_final), # (B, K, d) energies=to_bk(energies.T), # (N, T+1) -> (B, K, T+1) grad_norms=to_bk(gnorms.T), # (N, T) -> (B, K, T) logits=to_bk(logits), # (B, K, C) pred=to_bk(pred), # (B, K) + h_x=h_x, # (B, dc) one context per input (shared across restarts) + step_pred=step_pred, # (B, K, T+1) when record_steps else None ) diff --git a/src/edc/inference/trajectory.py b/src/edc/inference/trajectory.py index d49e88c..3c1039d 100644 --- a/src/edc/inference/trajectory.py +++ b/src/edc/inference/trajectory.py @@ -20,6 +20,8 @@ class TrajectoryRecord: grad_norms: Array # (B, K, T) ||grad_z E|| at each step logits: Array # (B, K, C) decoder logits at z_star pred: Array # (B, K) argmax class per restart + h_x: Array # (B, dc) per-input context; needed to recompute curvature at z* + step_pred: Array | None = None # (B, K, T+1) per-step decode; set by solve(record_steps=True) @property def terminal_energy(self) -> Array: diff --git a/src/edc/plotting.py b/src/edc/plotting.py index 8c0e034..26faece 100644 --- a/src/edc/plotting.py +++ b/src/edc/plotting.py @@ -11,6 +11,8 @@ from typing import Any +import numpy as np + STYLE = { "figure.dpi": 150, "savefig.bbox": "tight", @@ -26,6 +28,276 @@ def use_style() -> None: plt.rcParams.update(STYLE) +# Nonconformity scores rendered in F2, in draw order (geometry emphasised, energy baselines +# muted — the falsification is "geometry beats energy"). +_SCORE_STYLE = { + "geometry": {"color": "#1b6ca8", "lw": 2.4, "label": "geometry (learned)"}, + "rho_basin": {"color": "#5aa469", "lw": 1.6, "label": "1 − ρ_basin (fallback)"}, + "energy_min": {"color": "#b0794a", "lw": 1.4, "label": "energy Eₘᵢₙ (EBT)"}, + "energy_mean": {"color": "#c9a66b", "lw": 1.2, "label": "energy Ē"}, + "energy_std": {"color": "#a05195", "lw": 1.2, "label": "energy spread"}, + "msp": {"color": "#d1495b", "lw": 1.2, "label": "MSP (softmax)"}, + "temp_msp": {"color": "#e8825a", "lw": 1.2, "label": "MSP + temperature"}, + "entropy": {"color": "#8d6e63", "lw": 1.2, "label": "predictive entropy"}, +} + + +def _selective_row(rows: list[dict[str, Any]]) -> dict[str, Any]: + """Metrics of the headline ``split == 'selective'`` run for F2/F3 (raises if none). + + Prefers the full-fold run — largest ``n_test`` (E1), ties broken by ledger order — so the + single-run figures reflect the authoritative experiment, not whatever reduced-fold sweep cell + happened to land last in the ledger. + """ + sel = [r for r in rows if r.get("split") == "selective"] + if not sel: + raise ValueError("no split='selective' ledger row; run experiments/run_experiment.py first") + # largest n_test wins; ties broken toward the latest ledger row (freshest full-fold E1). + headline = max(enumerate(sel), key=lambda iv: (iv[1]["metrics"].get("n_test", 0), iv[0]))[1] + return headline["metrics"] + + +def _halting_row(rows: list[dict[str, Any]]) -> dict[str, Any]: + """Metrics of the latest ``split == 'halting'`` run for F4 (raises if none).""" + sel = [r for r in rows if r.get("split") == "halting"] + if not sel: + raise ValueError("no split='halting' ledger row; run experiments/run_halting.py first") + return sel[-1]["metrics"] + + def risk_coverage_curve(rows: list[dict[str, Any]], out_path: str) -> str: # F2 - """Risk-coverage curves per nonconformity score. Implemented in Phase 3.""" - raise NotImplementedError("Phase 3: risk-coverage figure (F2).") + """Risk-coverage curves per nonconformity score — the core selective-prediction result. + + Reads the sampled ``risk_coverage`` grids stored on the latest selective ledger row (invariant + 6: figures come only from the ledger). Lower curve = better ranker; the geometry line beating + the energy lines is the visual falsification test. + """ + import matplotlib.pyplot as plt + + use_style() + m = _selective_row(rows) + rc = m["risk_coverage"] + fig, ax = plt.subplots(figsize=(5.2, 4.0)) + for name, style in _SCORE_STYLE.items(): + if name not in rc: + continue + aurc = m["aurc"].get(name) + lbl = f"{style['label']} (AURC={aurc:.3f})" if aurc is not None else style["label"] + ax.plot(rc[name]["coverage"], rc[name]["risk"], color=style["color"], + lw=style["lw"], label=lbl) + ax.set_xlabel("coverage (fraction answered)") + ax.set_ylabel("selective risk (error | answered)") + ax.set_title(f"F2 · risk–coverage (ID acc {m['accuracy_id']:.2f})") + ax.set_xlim(0, 1) + ax.set_ylim(bottom=0) + ax.legend(fontsize=7, frameon=False) + fig.savefig(out_path) + plt.close(fig) + return out_path + + +def k_restart_lift(rows: list[dict[str, Any]], out_path: str) -> str: # S1 / T2 companion + """ΔAURC(best energy − geometry) vs number of restarts K — the restart-ablation figure. + + Per-seed points + the seed-mean line, with a dashed y=0 (below ⇒ geometry loses to energy). + A lift that grows with K is evidence the *restart* geometry (not just a single descent) carries + the signal. Needs ≥2 distinct K in the ledger; raises otherwise. Data is aggregated in + ``analysis.aggregate`` but re-read here from the raw rows to keep plotting self-contained. + """ + import matplotlib.pyplot as plt + + use_style() + # Restrict to the single task that actually has a K-sweep, so a second task's fixed-K rows + # cannot contaminate the ablation (the K-sweep is run on arithmetic). + sel = [r for r in rows if r.get("split") == "selective"] + + def _k(r): + m = r["metrics"] + return int(m.get("k_restarts", r["config"]["inference"]["k_restarts"])) + + per_task_ks: dict[str, set] = {} + for r in sel: + per_task_ks.setdefault(r.get("task"), set()).add(_k(r)) + sweep_task = max(per_task_ks, key=lambda t: len(per_task_ks[t])) if per_task_ks else None + + by_k: dict[int, list[float]] = {} + for r in sel: + if r.get("task") != sweep_task: + continue + by_k.setdefault(_k(r), []).append(r["metrics"]["delta_aurc_vs_best_energy"][0]) + if len(by_k) < 2: + raise ValueError("k_restart_lift needs >=2 distinct K in the ledger (run the K-sweep)") + + ks = sorted(by_k) + means = [float(np.mean(by_k[k])) for k in ks] + fig, ax = plt.subplots(figsize=(5.0, 3.8)) + ax.axhline(0.0, ls="--", color="0.6", lw=1.0, label="no lift (geometry = energy)") + for k in ks: + ax.scatter([k] * len(by_k[k]), by_k[k], color="#1b6ca8", alpha=0.5, s=22, zorder=2) + ax.plot(ks, means, "-o", color="#1b6ca8", lw=2.0, zorder=3, label="seed mean") + ax.set_xscale("log", base=2) + ax.set_xticks(ks) + ax.set_xticklabels([str(k) for k in ks]) + ax.set_xlabel("restarts K (K=1 ≈ EBT, no basin geometry)") + ax.set_ylabel("ΔAURC (energy − geometry)") + ax.set_title("S1 · restart ablation: does geometry lift grow with K?") + ax.legend(fontsize=7, frameon=False) + fig.savefig(out_path) + plt.close(fig) + return out_path + + +def coverage_validity(rows: list[dict[str, Any]], out_path: str) -> str: # F3 + """Achieved selective risk vs the nominal target α — the calibration-validity check. + + Distribution-free validity means every point sits at or below the diagonal (achieved risk ≤ + target). Reads the ``coverage_validity`` α-sweep from the latest selective ledger row. + """ + import matplotlib.pyplot as plt + + use_style() + v = _selective_row(rows)["coverage_validity"] + fig, ax = plt.subplots(figsize=(4.4, 4.0)) + lim = max(v["target"]) * 1.1 + ax.plot([0, lim], [0, lim], ls="--", color="0.6", lw=1.0, label="nominal (achieved = target)") + ax.scatter(v["target"], v["achieved_risk"], color="#1b6ca8", zorder=3, label="achieved") + for a, r, c in zip(v["target"], v["achieved_risk"], v["coverage"], strict=True): + ax.annotate(f"cov {c:.2f}", (a, r), fontsize=6, xytext=(3, 3), + textcoords="offset points", color="0.4") + ax.set_xlabel("target selective risk α") + ax.set_ylabel("achieved selective risk (test)") + ax.set_title("F3 · coverage validity (on/below diagonal = valid)") + ax.set_xlim(0, lim) + ax.set_ylim(0, lim) + ax.legend(fontsize=7, frameon=False) + fig.savefig(out_path) + plt.close(fig) + return out_path + + +_FAMILY_COLOR = {"basin": "#5aa469", "energy": "#b0794a", "curv": "#1b6ca8", "dynamics": "#a05195"} + + +def _family(name: str) -> str: + key = name.split("/")[0] + return "curv" if key == "curv" else key + + +def _bars_from_hist(h: dict) -> tuple[np.ndarray, np.ndarray, np.ndarray, float]: + """Return ``(centers, correct_density, incorrect_density, width)`` from a stored histogram.""" + edges = np.asarray(h["edges"], dtype=float) + centers = 0.5 * (edges[:-1] + edges[1:]) + c = np.asarray(h["correct_counts"], dtype=float) + i = np.asarray(h["incorrect_counts"], dtype=float) + c = c / c.sum() if c.sum() else c # per-class density (class-balanced view) + i = i / i.sum() if i.sum() else i + return centers, c, i, float(edges[1] - edges[0]) + + +def feature_diagnostics(rows: list[dict[str, Any]], out_path: str) -> str: # F5 + """Per-feature separation + the correct-vs-incorrect distributions of the mechanism features. + + Left: |AUROC−0.5| per feature (distance from chance), coloured by family. Right: overlaid + correct/incorrect histograms of the most-separating basin and curvature features — the geometry + signal the thesis rests on. Reads ``feature_diagnostics`` from the headline selective row. + """ + import matplotlib.pyplot as plt + + fd = _selective_row(rows).get("feature_diagnostics") + if fd is None: + raise ValueError("no feature_diagnostics on the selective row; re-run run_experiment.py") + use_style() + names = fd["names"] + sep = {n: abs(fd["auroc"][n] - 0.5) for n in names} + order = sorted(names, key=lambda n: sep[n]) # ascending -> strongest at top + + def top(family: str) -> str: + fam = [n for n in names if _family(n) == family] + return max(fam, key=lambda n: sep[n]) if fam else names[0] + + fig, (ax0, ax1, ax2) = plt.subplots( + 1, 3, figsize=(11.0, 4.2), gridspec_kw={"width_ratios": [1.5, 1, 1]}) + + ax0.barh(range(len(order)), [sep[n] for n in order], + color=[_FAMILY_COLOR[_family(n)] for n in order]) + ax0.set_yticks(range(len(order))) + ax0.set_yticklabels(order, fontsize=7) + ax0.set_xlabel("|AUROC − 0.5| (correct-vs-incorrect separation)") + ax0.set_title("F5 · which geometry features separate") + + for ax, family in ((ax1, "basin"), (ax2, "curv")): + name = top(family) + centers, c, i, w = _bars_from_hist(fd["hist"][name]) + ax.bar(centers, c, width=w, color="#1b6ca8", alpha=0.6, label="correct") + ax.bar(centers, i, width=w, color="#d1495b", alpha=0.6, label="incorrect") + ax.set_title(f"{name}\n(AUROC {fd['auroc'][name]:.2f})", fontsize=9) + ax.set_xlabel("feature value") + ax.set_ylabel("density") + ax.legend(fontsize=7, frameon=False) + + fig.tight_layout() + fig.savefig(out_path) + plt.close(fig) + return out_path + + +def ood_stress(rows: list[dict[str, Any]], out_path: str) -> str: # F6 + """Selective-risk validity in-distribution vs under distribution shift. + + The LTT threshold is calibrated ID; achieved risk vs target α is plotted for the ID test fold + (on/below the diagonal = valid) and the OOD test fold (above the diagonal = the guarantee breaks + because exchangeability is violated). This is the argument for abstention/routing in critical + systems. Reads ``ood_validity`` from the headline selective row. + """ + import matplotlib.pyplot as plt + + v = _selective_row(rows).get("ood_validity") + if v is None: + raise ValueError("no ood_validity on the selective row; re-run with include_ood=True") + use_style() + lim = max(v["target"]) * 1.1 + fig, ax = plt.subplots(figsize=(4.8, 4.2)) + ax.plot([0, lim], [0, lim], ls="--", color="0.6", lw=1.0, label="valid (achieved ≤ target)") + ax.plot(v["target"], v["id_risk"], "-o", color="#1b6ca8", lw=1.8, label="in-distribution") + ax.plot(v["target"], v["ood_risk"], "-s", color="#d1495b", lw=1.8, label="out-of-distribution") + ax.set_xlabel("target selective risk α") + ax.set_ylabel("achieved selective risk (test)") + ax.set_title("F6 · guarantee holds ID, breaks under shift") + ax.set_xlim(0, lim) + ax.set_ylim(0, max(1.0, max(v["ood_risk"]) * 1.05) if v["ood_risk"] else 1.0) + ax.legend(fontsize=7, frameon=False, loc="upper left") + fig.savefig(out_path) + plt.close(fig) + return out_path + + +def halting_pareto(rows: list[dict[str, Any]], out_path: str) -> str: # F4 + """Compute-vs-accuracy Pareto under adaptive halting. + + Sweeps the agreement threshold τ: end-task accuracy (y) vs mean fraction of the step budget + used (x). Marks the CRC-chosen operating point (guaranteed halting risk ≤ α) and the full-budget + reference. Reads the latest ``split=='halting'`` ledger row (invariant 6). + """ + import matplotlib.pyplot as plt + + use_style() + m = _halting_row(rows) + s = m["tau_sweep"] + fig, ax = plt.subplots(figsize=(5.2, 4.0)) + ax.plot(s["compute_used"], s["accuracy"], "-o", color="#1b6ca8", lw=1.8, ms=4, + label="halting τ-sweep", zorder=2) + ax.axhline(m["full_accuracy"], ls="--", color="0.6", lw=1.0, + label=f"full-budget acc {m['full_accuracy']:.2f}") + if m["tau_hat"] is not None: + lbl = (f"CRC τ̂={m['tau_hat']:.2f} (risk {m['halting_risk']:.2f} ≤ α={m['alpha']}), " + f"{m['compute_saved']:.0%} compute saved") + ax.scatter([m["compute_used"]], [m["halted_accuracy"]], color="#d1495b", s=70, zorder=3, + label=lbl) + ax.set_xlabel("compute used (fraction of step budget)") + ax.set_ylabel("end-task accuracy") + ax.set_title("F4 · adaptive halting: accuracy vs compute") + ax.set_xlim(0, 1.02) + ax.legend(fontsize=7, frameon=False, loc="lower right") + fig.savefig(out_path) + plt.close(fig) + return out_path diff --git a/src/edc/tasks/__init__.py b/src/edc/tasks/__init__.py index 5a57f21..e53a432 100644 --- a/src/edc/tasks/__init__.py +++ b/src/edc/tasks/__init__.py @@ -1,10 +1,12 @@ """Task families. Importing this package registers every built task. -Phase 1 ships ``arithmetic``. ``graph_planning``, ``logic``, and ``hard_task`` are stubbed -(Phase 4) and import lazily without erroring so the registry can list them. +Phase 1 ships ``arithmetic``; Phase 4d adds ``graph_planning``. ``logic`` and ``hard_task`` remain +stubbed and are not imported until implemented. """ -from edc.tasks import arithmetic # noqa: F401 (side effect: registers "arithmetic") +from edc.tasks import ( # noqa: F401 (side effects: register the tasks) + arithmetic, + graph_planning, +) -# Phase 4 task families are intentionally not imported here until implemented. -__all__ = ["arithmetic"] +__all__ = ["arithmetic", "graph_planning"] diff --git a/src/edc/tasks/arithmetic.py b/src/edc/tasks/arithmetic.py index d6534e7..05bac11 100644 --- a/src/edc/tasks/arithmetic.py +++ b/src/edc/tasks/arithmetic.py @@ -29,6 +29,7 @@ def __init__( n_operands: int = 3, max_operand: int = 9, ood_n_operands: int = 5, + ood_max_operand: int | None = None, modular: bool = False, ) -> None: if max(n_operands, ood_n_operands) > _MAX_OPERANDS: @@ -37,23 +38,33 @@ def __init__( self.n_operands = n_operands self.max_operand = max_operand self.ood_n_operands = ood_n_operands + # OOD shift 1: more operands (ood_n_operands). OOD shift 2: larger operand magnitudes + # (ood_max_operand > max_operand) — a covariate shift that keeps the reasoning identical + # and the low-sum region in-distribution, so accuracy degrades *gracefully* rather than + # collapsing. Defaults to max_operand (no magnitude shift). + self.ood_max_operand = max_operand if ood_max_operand is None else ood_max_operand # modular=True is the harder "grokking" variant (answer = sum mod modulus); # modular=False (default) is plain sum classification — smooth in the inputs and the # right demonstrator that descent lands in the correct basin. Both share feature_dim. self.modular = modular - self.n_classes = modulus if modular else _MAX_OPERANDS * max_operand + 1 - self.feature_dim = _MAX_OPERANDS * (max_operand + 1) + # Encoding width and class count must cover both splits so one model handles ID + OOD. + self._slot_max = max(max_operand, self.ood_max_operand) + self.n_classes = modulus if modular else _MAX_OPERANDS * self._slot_max + 1 + self.feature_dim = _MAX_OPERANDS * (self._slot_max + 1) def _k(self, split: str) -> int: return self.ood_n_operands if split == "ood" else self.n_operands + def _max(self, split: str) -> int: + return self.ood_max_operand if split == "ood" else self.max_operand + def sample(self, rng: np.random.Generator, n: int, split: str = "id") -> Batch: k = self._k(split) - operands = rng.integers(0, self.max_operand + 1, size=(n, k)) + operands = rng.integers(0, self._max(split) + 1, size=(n, k)) total = operands.sum(axis=1) y = (total % self.modulus) if self.modular else total - slot = self.max_operand + 1 + slot = self._slot_max + 1 x = np.zeros((n, self.feature_dim), dtype=np.float32) for j in range(k): cols = j * slot + operands[:, j] @@ -65,7 +76,7 @@ def evaluate(self, pred: np.ndarray, y: np.ndarray) -> np.ndarray: def difficulty(self, batch: Batch) -> np.ndarray: # Number of active operand slots ~ proxy for carry complexity. - slot = self.max_operand + 1 + slot = self._slot_max + 1 blocks = batch.x.reshape(batch.x.shape[0], _MAX_OPERANDS, slot) return blocks.max(axis=2).sum(axis=1).astype(np.float32) @@ -73,5 +84,6 @@ def difficulty(self, batch: Batch) -> np.ndarray: @register_task("arithmetic") def _build(**kwargs) -> ArithmeticTask: # Accept keys from the [task.arithmetic] TOML block; ignore unrelated ones. - known = {"modulus", "n_operands", "max_operand", "ood_n_operands", "modular"} + known = {"modulus", "n_operands", "max_operand", "ood_n_operands", "ood_max_operand", + "modular"} return ArithmeticTask(**{k: v for k, v in kwargs.items() if k in known}) diff --git a/src/edc/tasks/graph_planning.py b/src/edc/tasks/graph_planning.py index 965907c..eac2102 100644 --- a/src/edc/tasks/graph_planning.py +++ b/src/edc/tasks/graph_planning.py @@ -1,14 +1,102 @@ -"""Graph shortest-path / connectivity planning family (port of EBRM). [Phase 4] +"""Graph shortest-path planning family. [Phase 4d] -Fixed-size adjacency + source/target encoded into ``x``; answer is a path/next-hop/length -label. OOD split = larger graphs than trained on (IRED-style size generalisation). +A relational/combinatorial reasoning family, deliberately distinct from additive arithmetic, to +test whether the geometry-beats-energy discovery *generalizes*. Each problem is a random undirected +Erdős–Rényi graph with a random ``(source, target)`` pair; the answer is the shortest-path length +(BFS), capped: classes ``1..max_len`` are the exact length, class ``0`` = unreachable-or-farther. + +Features are fixed-size (padded to ``max_nodes``) so the in-distribution split (``n_nodes``) and the +OOD split (``ood_n_nodes`` > it — IRED-style size generalization) share one model: +flattened ``max_nodes × max_nodes`` adjacency ⊕ source one-hot ⊕ target one-hot. + +Pure NumPy (invariant 1); BFS is a small per-sample loop (graphs are tiny). """ from __future__ import annotations +from collections import deque + +import numpy as np + +from edc.registry import register_task +from edc.tasks.base import Batch + +_MAX_NODES = 12 # padding capacity; both ID and OOD node counts must be <= this + + +def _shortest_len(adj: np.ndarray, src: int, dst: int, cap: int) -> int: + """BFS shortest-path length in an undirected 0/1 adjacency; 0 if unreachable or > ``cap``.""" + if src == dst: + return 0 + seen = {src} + q = deque([(src, 0)]) + while q: + node, dist = q.popleft() + if dist >= cap: + continue + for nbr in np.nonzero(adj[node])[0]: + if nbr == dst: + return dist + 1 + if nbr not in seen: + seen.add(int(nbr)) + q.append((int(nbr), dist + 1)) + return 0 # unreachable-or-farther + class GraphPlanningTask: name = "graph_planning" - def __init__(self, **kwargs) -> None: - raise NotImplementedError("Phase 4: port EBRM graph_reasoning.jl generator.") + def __init__( + self, + n_nodes: int = 7, + ood_n_nodes: int = 10, + edge_prob: float = 0.3, + max_len: int = 4, + ) -> None: + if max(n_nodes, ood_n_nodes) > _MAX_NODES: + raise ValueError(f"node count exceeds capacity {_MAX_NODES}") + self.n_nodes = n_nodes + self.ood_n_nodes = ood_n_nodes + self.edge_prob = edge_prob + self.max_len = max_len + # class 0 = unreachable/farther, 1..max_len = exact shortest-path length. + self.n_classes = max_len + 1 + self.feature_dim = _MAX_NODES * _MAX_NODES + 2 * _MAX_NODES + + def _n(self, split: str) -> int: + return self.ood_n_nodes if split == "ood" else self.n_nodes + + def sample(self, rng: np.random.Generator, n: int, split: str = "id") -> Batch: + k = self._n(split) + x = np.zeros((n, self.feature_dim), dtype=np.float32) + y = np.zeros(n, dtype=np.int64) + adj_block = _MAX_NODES * _MAX_NODES + for i in range(n): + # Random undirected graph on the k active nodes (upper triangle -> symmetric). + upper = (rng.random((k, k)) < self.edge_prob).astype(np.float32) + upper = np.triu(upper, 1) + adj = upper + upper.T + src, dst = rng.choice(k, size=2, replace=False) + y[i] = _shortest_len(adj, int(src), int(dst), self.max_len) + + padded = np.zeros((_MAX_NODES, _MAX_NODES), dtype=np.float32) + padded[:k, :k] = adj + x[i, :adj_block] = padded.reshape(-1) + x[i, adj_block + int(src)] = 1.0 # source one-hot + x[i, adj_block + _MAX_NODES + int(dst)] = 1.0 # target one-hot + return Batch(x=x, y=y) + + def evaluate(self, pred: np.ndarray, y: np.ndarray) -> np.ndarray: + return np.asarray(pred) == np.asarray(y) + + def difficulty(self, batch: Batch) -> np.ndarray: + # Edge count (undirected) ~ graph density proxy. + adj_block = _MAX_NODES * _MAX_NODES + adj = batch.x[:, :adj_block] + return (adj.sum(axis=1) / 2.0).astype(np.float32) + + +@register_task("graph_planning") +def _build(**kwargs) -> GraphPlanningTask: + known = {"n_nodes", "ood_n_nodes", "edge_prob", "max_len"} + return GraphPlanningTask(**{k: v for k, v in kwargs.items() if k in known}) diff --git a/tests/conftest.py b/tests/conftest.py index 39d4f51..5a416b3 100644 --- a/tests/conftest.py +++ b/tests/conftest.py @@ -1,5 +1,13 @@ """Shared test configuration: force JAX onto CPU so the suite never needs a GPU.""" import os +import sys +from pathlib import Path os.environ.setdefault("JAX_PLATFORMS", "cpu") + +# The experiments/ and analysis/ scripts are not a package; expose them for direct import in tests +# (the same way they resolve sibling imports when run as scripts). +_ROOT = Path(__file__).resolve().parents[1] +for _d in ("experiments", "analysis"): + sys.path.insert(0, str(_ROOT / _d)) diff --git a/tests/test_aggregate.py b/tests/test_aggregate.py new file mode 100644 index 0000000..9ed5d83 --- /dev/null +++ b/tests/test_aggregate.py @@ -0,0 +1,93 @@ +"""Ledger aggregation across seeds: grouping by K + the multi-seed falsification summary. + +Offline + CPU-only, on hand-built synthetic ledger rows (no training). +""" + +import aggregate + + +def _row(k, seed, delta, lo, geo=0.08, best=0.14, task="arithmetic", baseline_delta=None): + m = { + "k_restarts": k, "accuracy_id": 0.8, "base_error": 0.2, + "best_energy_baseline": "energy_min", + "aurc": {"geometry": geo, "energy_min": best}, + "delta_aurc_vs_best_energy": [delta, lo, delta + 0.02], + "ltt": {"coverage": 0.7, "selective_risk": 0.07, "abstain_rate": 0.3}, + } + if baseline_delta is not None: # Phase 4e field (older rows omit it) + bd, blo = baseline_delta + m["best_baseline"] = "temp_msp" + m["delta_aurc_vs_best_baseline"] = [bd, blo, bd + 0.02] + m["feature_ablation"] = { # Phase 4f field + "full": geo, "drop_basin": geo + 0.03, "drop_energy": geo + 0.005, + "drop_curv": geo + 0.001, "drop_dynamics": geo + 0.002, + } + return { + "run_id": f"{task[:3]}{k}_{seed}", "seed": seed, "split": "selective", "task": task, + "config_hash": f"{task}h{k}_{seed}", "git_sha": "abc1234", + "env": {"python": "3.12", "jax": "0.11", "jax_backend": "cpu"}, + "config": {"inference": {"k_restarts": k}}, + "metrics": m, + } + + +def test_by_k_groups_and_dedups(): + rows = [_row(1, 0, 0.0, -0.01), _row(1, 1, 0.0, -0.01), _row(4, 0, 0.06, 0.05)] + # a re-run of (K=4, seed 0) with the SAME config_hash must replace, not duplicate + rows.append(_row(4, 0, 0.07, 0.06)) + grouped = aggregate.by_k(rows) + assert set(grouped) == {1, 4} + assert len(grouped[1]) == 2 and len(grouped[4]) == 1 + assert grouped[4][0]["metrics"]["delta_aurc_vs_best_energy"][0] == 0.07 # latest kept + + +def test_aggregate_cell_verdict(): + # K=1: no lift (CI includes 0). K=16: clear lift on all seeds. + k1 = [_row(1, s, 0.001, -0.01) for s in range(5)] + a1 = aggregate.aggregate_cell(k1) + assert a1["seeds_ci_excludes_0"] == 0 and a1["geometry_wins_all"] is False + assert a1["n_seeds"] == 5 and a1["k_restarts"] == 1 + + k16 = [_row(16, s, 0.09, 0.07, geo=0.05) for s in range(5)] + a16 = aggregate.aggregate_cell(k16) + assert a16["seeds_ci_excludes_0"] == 5 and a16["geometry_wins_all"] is True + assert a16["delta_aurc"][0] > a1["delta_aurc"][0] # lift grows with K + assert a16["aurc_geometry"][0] < a16["aurc_best_energy"][0] # geometry lower AURC = better + + +def test_baseline_delta_aggregation_and_fallback(): + # Rows carrying the Phase-4e field aggregate its own value + seeds-win count. + withbl = [_row(12, s, 0.09, 0.07, baseline_delta=(0.05, 0.03)) for s in range(4)] + a = aggregate.aggregate_cell(withbl) + assert a["delta_aurc_baseline"][0] == 0.05 and a["seeds_ci_excludes_0_baseline"] == 4 + assert a["delta_aurc"][0] == 0.09 # energy ΔAURC still separate + assert "temp_msp" in a["best_baseline_names"] + + # Older rows without the field fall back to the energy ΔAURC (no crash). + old = [_row(12, s, 0.09, 0.07) for s in range(3)] + a_old = aggregate.aggregate_cell(old) + assert a_old["delta_aurc_baseline"] == a_old["delta_aurc"] + assert a_old["feature_ablation"] == {} # absent -> empty, no crash + + +def test_feature_ablation_aggregates(): + rows = [_row(12, s, 0.09, 0.07, geo=0.08, baseline_delta=(0.05, 0.03)) for s in range(4)] + fa = aggregate.aggregate_cell(rows)["feature_ablation"] + assert set(fa) == {"full", "drop_basin", "drop_energy", "drop_curv", "drop_dynamics"} + assert fa["full"][0] == 0.08 and fa["drop_basin"][0] == 0.11 # mean AURC per subset + assert fa["full"][1] == 0.0 # zero std (identical seeds) + + +def test_task_filter_no_cross_contamination(): + # Two tasks share K=12 in the ledger; aggregation must not mix them. + rows = [_row(12, s, 0.08, 0.06, task="arithmetic") for s in range(3)] + rows += [_row(12, s, 0.02, -0.02, task="graph_planning") for s in range(4)] + assert aggregate.tasks_present(rows) == ["arithmetic", "graph_planning"] + + ar = aggregate.aggregate_by_k(rows, task="arithmetic")[12] + gr = aggregate.aggregate_by_k(rows, task="graph_planning")[12] + assert ar["n_seeds"] == 3 and gr["n_seeds"] == 4 + assert ar["task"] == "arithmetic" and gr["task"] == "graph_planning" + assert ar["delta_aurc"][0] != gr["delta_aurc"][0] # distinct aggregates + # unfiltered mixes both (7 rows at K=12) — the bug the filter prevents + assert aggregate.aggregate_by_k(rows)[12]["n_seeds"] == 7 diff --git a/tests/test_baselines.py b/tests/test_baselines.py new file mode 100644 index 0000000..52e46e3 --- /dev/null +++ b/tests/test_baselines.py @@ -0,0 +1,43 @@ +"""Softmax-confidence baselines: MSP / entropy exact values, temperature scaling reduces NLL, and +degenerate-fold fallbacks. Offline + CPU-only, NumPy/scipy. +""" + +import numpy as np + +from edc.eval import baselines as B + + +def test_msp_and_entropy_exact(): + peaked = np.array([[10.0, 0.0, 0.0, 0.0]]) + uniform = np.array([[1.0, 1.0, 1.0, 1.0]]) + assert B.msp_score(peaked)[0] < 1e-3 # confident -> low nonconformity + assert np.isclose(B.msp_score(uniform)[0], 0.75) # 1 - 1/4 + assert B.entropy_score(peaked)[0] < 1e-2 # peaked -> ~0 entropy + assert np.isclose(B.entropy_score(uniform)[0], np.log(4), atol=1e-6) # uniform -> ln C + + +def test_softmax_normalises(): + p = B.softmax(np.random.default_rng(0).standard_normal((5, 7))) + assert np.allclose(p.sum(axis=1), 1.0) and (p >= 0).all() + + +def test_fit_temperature_reduces_nll(): + rng = np.random.default_rng(0) + n, c = 800, 5 + y = rng.integers(0, c, n) + onehot = np.zeros((n, c)) + onehot[np.arange(n), y] = 1.0 + logits = (onehot + rng.standard_normal((n, c)) * 0.5) * 6.0 # mis-scaled (overconfident) + T = B.fit_temperature(logits, y) + assert 0.05 <= T <= 20.0 + assert B._nll(T, logits, y) <= B._nll(1.0, logits, y) + 1e-9 # temperature never hurts NLL + + +def test_temp_msp_and_single_class_fallback(): + logits = np.array([[3.0, 1.0, 0.0]]) + # higher temperature flattens the softmax -> higher nonconformity (less confident) + assert B.temp_msp_score(logits, 5.0)[0] > B.temp_msp_score(logits, 0.5)[0] + # a single-class fit fold cannot calibrate -> T = 1.0 fallback, scores still finite + T = B.fit_temperature(logits.repeat(10, 0), np.zeros(10, int)) + assert T == 1.0 + assert np.all(np.isfinite(B.temp_msp_score(logits, T))) diff --git a/tests/test_conformal_crc.py b/tests/test_conformal_crc.py new file mode 100644 index 0000000..5309ed4 --- /dev/null +++ b/tests/test_conformal_crc.py @@ -0,0 +1,51 @@ +"""Conformal Risk Control calibrator: exact finite-sample boundary, infeasible-alpha guard, and +the monotone-halting risk guarantee ``E[L(lambda_hat)] <= alpha``. Offline + CPU-only. +""" + +import numpy as np + +from edc.conformal.crc import calibrate + + +def test_crc_boundary_pick(): + # n=9, alpha=0.2 -> RHS = ((n+1)*alpha - 1)/n = (2 - 1)/9 = 0.1111. + # Three lambdas with R_hat = {0, 1/9=0.111, 1}. Admissible prefix is {0, 0.111}; pick the + # most compute-saving (largest index) admissible -> lambda index 1. + n = 9 + loss = np.zeros((n, 3)) + loss[0, 1] = 1.0 # column 1: one error -> R_hat = 1/9 = 0.111 <= 0.111 (admissible) + loss[:, 2] = 1.0 # column 2: R_hat = 1.0 (fails) + assert calibrate(loss, alpha=0.2, lambdas=[0.0, 0.5, 1.0]) == 0.5 + + +def test_crc_infeasible_alpha_returns_none(): + # n=3, alpha=0.2 -> (n+1)*alpha - 1 = -0.2 < 0: no R_hat (not even 0) can satisfy the bound. + assert calibrate(np.zeros((3, 2)), alpha=0.2) is None + + +def test_crc_dict_input_and_monotone_stop(): + # dict form; risks increase with lambda. RHS for n=20, alpha=0.2 = (21*0.2-1)/20 = 0.16. + n = 20 + loss_by_lambda = { + 0.1: np.zeros(n), # R_hat 0.00 -> admissible + 0.2: np.array([1] * 3 + [0] * (n - 3)), # R_hat 0.15 -> admissible + 0.3: np.array([1] * 5 + [0] * (n - 5)), # R_hat 0.25 -> fails, stop + } + assert calibrate(loss_by_lambda, alpha=0.2) == 0.2 + + +def test_crc_risk_guarantee(): + # Monte-Carlo: E[L(lambda_hat)] <= alpha over draws. Loss at each lambda is Bernoulli with a + # rate that increases with lambda; CRC must never pick a lambda whose true rate exceeds alpha. + alpha = 0.1 + lambdas = np.array([0.0, 1.0, 2.0, 3.0]) + true_rates = np.array([0.02, 0.06, 0.12, 0.30]) + picked_true_rate = [] + for t in range(400): + rng = np.random.default_rng(500 + t) + loss = (rng.random((300, len(lambdas))) < true_rates).astype(float) + lam = calibrate(loss, alpha, lambdas=lambdas) + if lam is not None: + picked_true_rate.append(true_rates[list(lambdas).index(lam)]) + # the finite-sample bound should keep the expected picked risk at or below alpha + assert np.mean(picked_true_rate) <= alpha diff --git a/tests/test_conformal_ltt.py b/tests/test_conformal_ltt.py new file mode 100644 index 0000000..91282ad --- /dev/null +++ b/tests/test_conformal_ltt.py @@ -0,0 +1,75 @@ +"""Learn-then-Test: Hoeffding-Bentkus p-value validity + LTT selective-risk coverage guarantee. + +The two properties that matter: (1) HB is a valid super-uniform p-value for ``H: R > alpha``, so +``P(p <= delta) <= delta`` when ``R == alpha``; (2) the calibrated threshold controls selective +risk at ``1 - delta`` confidence over fresh data. Offline + CPU-only. +""" + +import numpy as np + +from edc.conformal.ltt import calibrate, hoeffding_bentkus_pvalue, selective_risk + + +def test_hb_edges(): + assert hoeffding_bentkus_pvalue(0.3, 0.2, 200) == 1.0 # risk >= alpha: no evidence + assert hoeffding_bentkus_pvalue(0.2, 0.2, 200) == 1.0 # boundary + assert hoeffding_bentkus_pvalue(0.0, 0.2, 0) == 1.0 # empty sample certifies nothing + p0 = hoeffding_bentkus_pvalue(0.0, 0.2, 5) # finite, no nan at risk_hat=0 + assert np.isfinite(p0) and p0 == min(0.8 ** 5, np.e * 0.8 ** 5) + + +def test_hb_monotone_in_risk_hat(): + # p-value INCREASES as risk_hat rises toward alpha (evidence against H: R>alpha weakens). + ps = [hoeffding_bentkus_pvalue(r, 0.3, 500) for r in np.linspace(0.0, 0.29, 30)] + assert all(a <= b + 1e-12 for a, b in zip(ps[:-1], ps[1:], strict=True)) # non-decreasing + + +def test_hb_pvalue_is_valid_superuniform(): + # With true risk == alpha, the p-value must satisfy P(p <= delta) <= delta (validity). + alpha, delta, n, trials = 0.2, 0.1, 200, 4000 + rng = np.random.default_rng(0) + x = rng.binomial(n, alpha, size=trials) # X ~ Bin(n, alpha) + ps = np.array([hoeffding_bentkus_pvalue(xi / n, alpha, n) for xi in x]) + assert (ps <= delta).mean() <= delta + 0.02 # small Monte-Carlo slack + + +def test_selective_risk_empty_answered(): + r, n = selective_risk([0.5, 0.6], [True, True], lam=0.1) # nothing answered + assert n == 0 and np.isnan(r) + + +def _synth(rng, n, base_err): + correct = rng.random(n) > base_err + scores = np.where(correct, rng.beta(2, 5, n), rng.beta(5, 2, n)) # low score when correct + return scores, correct + + +def test_ltt_coverage_guarantee(): + # Over many calib/test draws, the empirical P(R_sel(lambda_hat) <= alpha) must be >= 1 - delta. + alpha, delta, trials = 0.1, 0.05, 250 + violations = 0 + coverages = [] + for t in range(trials): + rng = np.random.default_rng(2000 + t) + sc, cc = _synth(rng, 800, base_err=0.15) + st, ct = _synth(rng, 4000, base_err=0.15) + lam = calibrate(sc, cc, alpha, delta)["lambda_hat"] + if lam is None: + coverages.append(0.0) + continue + answered = st <= lam + coverages.append(answered.mean()) + if answered.any() and (~ct[answered]).mean() > alpha: + violations += 1 + assert violations / trials <= delta # distribution-free guarantee holds + assert np.mean(coverages) > 0.5 # and it is not vacuous (answers a lot) + + +def test_ltt_abstains_when_base_error_exceeds_alpha(): + # base error 25% > alpha 10%: must abstain on hard inputs -> coverage < 1, risk pulled down. + rng = np.random.default_rng(7) + sc, cc = _synth(rng, 3000, base_err=0.25) + lam = calibrate(sc, cc, alpha=0.1, delta=0.05)["lambda_hat"] + answered = sc <= lam + assert 0.0 < answered.mean() < 1.0 + assert (~cc[answered]).mean() <= 0.15 # selective risk near/below target diff --git a/tests/test_eval_metrics.py b/tests/test_eval_metrics.py new file mode 100644 index 0000000..8880cce --- /dev/null +++ b/tests/test_eval_metrics.py @@ -0,0 +1,83 @@ +"""Selective-prediction metrics: exact AURC values, risk-coverage shape, and the paired-bootstrap +ΔAURC falsification test (directionality + determinism). + +Offline + CPU-only. NumPy-only maths; the only reason JAX loads is the seeding import. +""" + +import numpy as np +import pytest + +from edc.eval.metrics import ( + aurc, + paired_bootstrap_delta_aurc, + risk_coverage_curve, + selective_accuracy_at_coverage, +) + +T, F = True, False + + +def test_risk_coverage_exact(): + # scores ascending == confidence order; errors are the two least-confident points. + cov, risk = risk_coverage_curve([0.1, 0.2, 0.3, 0.4], [T, T, F, F]) + assert np.allclose(cov, [0.25, 0.5, 0.75, 1.0]) + assert np.allclose(risk, [0.0, 0.0, 1 / 3, 0.5]) + + +def test_risk_coverage_full_risk_is_base_error(): + rng = np.random.default_rng(0) + scores = rng.standard_normal(500) + correct = rng.random(500) < 0.7 + _, risk = risk_coverage_curve(scores, correct) + assert np.isclose(risk[-1], np.mean(~correct)) # full coverage == base error rate + + +def test_aurc_exact_value(): + assert aurc([0.1, 0.2, 0.3, 0.4], [T, T, F, F]) == pytest.approx(0.2083333, abs=1e-6) + + +def test_aurc_ranking_bounds(): + rng = np.random.default_rng(1) + n = 400 + correct = rng.random(n) < 0.6 + error = (~correct).astype(float) + perfect = error + rng.random(n) * 1e-6 # errors ranked LEAST confident (high score) + worst = -perfect # errors ranked MOST confident + random_scores = rng.standard_normal(n) + # perfect ranking pushes errors to the tail -> every prefix risk <= base error -> AURC minimal + assert aurc(perfect, correct) < aurc(random_scores, correct) < aurc(worst, correct) + assert aurc(perfect, correct) <= error.mean() and aurc(worst, correct) >= error.mean() + # constant scores => all ties => tie-robust AURC == base error rate exactly + assert aurc(np.ones(n), correct) == pytest.approx(error.mean()) + + +def test_selective_accuracy_at_coverage(): + # answer the 2 most confident of 4 -> both correct -> selective acc 1.0 + assert selective_accuracy_at_coverage([0.1, 0.2, 0.3, 0.4], [T, T, F, F], 0.5) == 1.0 + assert selective_accuracy_at_coverage([0.1, 0.2, 0.3, 0.4], [T, T, F, F], 1.0) == 0.5 + + +def test_delta_aurc_deterministic_via_seeding(): + rng = np.random.default_rng(2) + n = 300 + correct = rng.random(n) < 0.6 + a, b = rng.random(n), rng.random(n) + r1 = paired_bootstrap_delta_aurc(a, b, correct, n_boot=200, seed=5) + r2 = paired_bootstrap_delta_aurc(a, b, correct, n_boot=200, seed=5) + assert r1 == r2 + assert paired_bootstrap_delta_aurc(a, b, correct, n_boot=200, seed=6) != r1 + + +def test_delta_aurc_directionality(): + rng = np.random.default_rng(3) + n = 600 + correct = rng.random(n) < 0.6 + # b (geometry) ranks well; a (energy) is noise. delta = AURC(a) - AURC(b) > 0 => b wins. + good = np.where(correct, rng.random(n) * 0.4, 0.6 + rng.random(n) * 0.4) + noise = rng.random(n) + delta, lo, hi = paired_bootstrap_delta_aurc(noise, good, correct, n_boot=1000, seed=0) + assert delta > 0 and lo > 0 # geometry strictly wins, CI excludes 0 + + # identical scorers => delta 0 and CI brackets 0 (a genuine tie / null result) + d0, lo0, hi0 = paired_bootstrap_delta_aurc(noise, noise, correct, n_boot=500, seed=0) + assert d0 == 0.0 and lo0 <= 0.0 <= hi0 diff --git a/tests/test_evaluate_halting.py b/tests/test_evaluate_halting.py new file mode 100644 index 0000000..0e6f9f3 --- /dev/null +++ b/tests/test_evaluate_halting.py @@ -0,0 +1,31 @@ +"""End-to-end adaptive-halting evaluation on the smoke config: complete, finite, JSON-serialisable +metrics with the F4 tau-sweep. Marked slow (it trains). Offline + CPU-only. +""" + +import json + +import numpy as np +import pytest + +from edc.config import load_config +from edc.eval.evaluate_halting import evaluate_halting +from edc.registry import build_task + +pytestmark = pytest.mark.slow + + +def test_halting_pipeline_metrics(): + cfg = load_config("configs/smoke.toml") + task = build_task(cfg.run.task) + m = evaluate_halting(cfg, task) + + for key in ("tau_hat", "compute_used", "halting_risk", "risk_within_budget", + "full_accuracy", "halted_accuracy", "tau_sweep", "risk_monotone_in_tau"): + assert key in m + + s = m["tau_sweep"] + n = len(s["taus"]) + assert len(s["compute_used"]) == n and len(s["accuracy"]) == n and len(s["disagreement"]) == n + assert all(0.0 <= c <= 1.0 for c in s["compute_used"]) + assert 0.0 <= m["full_accuracy"] <= 1.0 and np.isfinite(m["halted_accuracy"]) + json.dumps(m) # ledger-serialisable diff --git a/tests/test_evaluate_include_ood.py b/tests/test_evaluate_include_ood.py new file mode 100644 index 0000000..f2a8e1f --- /dev/null +++ b/tests/test_evaluate_include_ood.py @@ -0,0 +1,37 @@ +"""``evaluate(include_ood=False)`` skips the OOD fold but still returns the falsification + LTT +blocks. Marked slow (it trains a tiny reasoner). Offline + CPU-only. +""" + +import numpy as np +import pytest + +from edc.config import load_config +from edc.eval.evaluate import evaluate +from edc.registry import build_task + +pytestmark = pytest.mark.slow + + +def test_include_ood_flag_toggles_ood_metrics(): + cfg = load_config("configs/smoke.toml") + task = build_task(cfg.run.task) + m = evaluate(cfg, task, include_ood=False) + + assert "accuracy_ood" not in m and "aurc_ood" not in m # OOD fold skipped + # ID falsification + guarantee still present and finite + assert set(m) >= {"aurc", "delta_aurc_vs_best_energy", "geometry_wins", "ltt", "k_restarts"} + d, lo, hi = m["delta_aurc_vs_best_energy"] + assert lo <= d <= hi + assert np.isfinite(m["accuracy_id"]) and "geometry" in m["aurc"] + + # Phase 4e softmax-confidence baselines + the vs-best-baseline falsification + assert {"msp", "temp_msp", "entropy"} <= set(m["aurc"]) + assert m["best_baseline"] in m["aurc"] + db, lob, hib = m["delta_aurc_vs_best_baseline"] + assert lob <= db <= hib + assert isinstance(m["geometry_wins_vs_baseline"], bool) and np.isfinite(m["temperature"]) + + # Phase 4f feature-group leave-one-out ablation + fa = m["feature_ablation"] + assert {"full", "drop_basin", "drop_energy", "drop_curv", "drop_dynamics"} <= set(fa) + assert all(0.0 <= v <= 1.0 for v in fa.values()) diff --git a/tests/test_evaluate_pipeline.py b/tests/test_evaluate_pipeline.py new file mode 100644 index 0000000..34098ef --- /dev/null +++ b/tests/test_evaluate_pipeline.py @@ -0,0 +1,57 @@ +"""End-to-end selective-prediction pipeline on the tiny smoke config. + +Trains a small reasoner, runs the disjoint fit/calib/test folds, and checks the metrics dict is +complete, finite, JSON-serialisable, and keeps the raw-energy baseline wired in (invariant 8). +Marked ``slow`` (it trains) but still offline + CPU-only. Values are not asserted — the smoke +config saturates; correctness of the numbers is covered by the unit tests. +""" + +import json + +import numpy as np +import pytest + +from edc.config import load_config +from edc.eval.evaluate import evaluate +from edc.registry import build_task +from edc.seeding import numpy_rng + +pytestmark = pytest.mark.slow + + +def test_pipeline_returns_complete_finite_metrics(): + cfg = load_config("configs/smoke.toml") + task = build_task(cfg.run.task) + m = evaluate(cfg, task) + + # folds are the three disjoint sizes from the config + assert m["n_fit"] == cfg.eval.n_eval + assert m["n_calib"] == cfg.conformal.n_calib + assert m["n_test"] == cfg.eval.n_eval + + # raw-energy baselines present alongside geometry (invariant 8) + the fallback + for name in ("geometry", "rho_basin", "energy_min", "energy_mean", "energy_std"): + assert name in m["aurc"] + assert 0.0 <= m["aurc"][name] <= 1.0 + + # falsification test wired: ΔAURC point estimate + ordered CI + d, lo, hi = m["delta_aurc_vs_best_energy"] + assert lo <= d <= hi + assert isinstance(m["geometry_wins"], bool) + + # LTT block present and self-consistent + ltt = m["ltt"] + assert set(ltt) >= {"alpha", "lambda_hat", "coverage", "selective_risk", "risk_within_budget"} + assert 0.0 <= ltt["coverage"] <= 1.0 + + assert np.isfinite(m["accuracy_id"]) and np.isfinite(m["ece_geometry"]) + json.dumps(m) # must be ledger-serialisable + + +def test_folds_are_independently_sampled(): + # The three ID folds draw from distinct seeding substreams, so they are not the same batch. + cfg = load_config("configs/smoke.toml") + task = build_task(cfg.run.task) + batches = [task.sample(numpy_rng(cfg.run.seed, 20, s), cfg.eval.n_eval, "id").x + for s in (0, 2)] + assert not np.array_equal(batches[0], batches[1]) diff --git a/tests/test_geometry_features.py b/tests/test_geometry_features.py new file mode 100644 index 0000000..63f25c3 --- /dev/null +++ b/tests/test_geometry_features.py @@ -0,0 +1,215 @@ +"""Phase-2 geometry features: exact values on hand-built trajectories, shape/finiteness on a +real (untrained) tiny model, determinism, and batched-curvature correctness. + +Offline + CPU-only (conftest forces JAX_PLATFORMS=cpu). No training needed: the geometry +features are a pure function of a TrajectoryRecord, so we exercise them on a freshly-built +model plus small hand-constructed records. +""" + +import numpy as np + +from edc.config import load_config +from edc.energy import mlp_ebm +from edc.eval.metrics import single_feature_auroc +from edc.geometry.basin import basin_features +from edc.geometry.curvature import ( + batched_curvature, + energy_at, + hutchinson_trace, + lambda_max, +) +from edc.geometry.dynamics import dynamics_features +from edc.geometry.energy_stats import energy_features +from edc.geometry.features import geometry_features +from edc.inference import restarts +from edc.inference.trajectory import TrajectoryRecord +from edc.seeding import numpy_rng, root_key +from edc.tasks.arithmetic import ArithmeticTask + +N_EXPECTED_FEATURES = 14 # basin 3 + energy 3 + curvature 4 + dynamics 4 + + +def _toy_traj(pred, z_star, energies, grad_norms, n_classes): + """Build a TrajectoryRecord from NumPy arrays (logits/h_x are placeholders for the + basin/energy/dynamics numpy features, which never touch them).""" + pred = np.asarray(pred) + B, K = pred.shape + logits = np.zeros((B, K, n_classes)) + return TrajectoryRecord( + z_star=np.asarray(z_star, dtype=float), + energies=np.asarray(energies, dtype=float), + grad_norms=np.asarray(grad_norms, dtype=float), + logits=logits, + pred=pred, + h_x=np.zeros((B, 4)), + ) + + +# ------------------------------- basin / energy / dynamics exact values ----------------------- + + +def test_basin_unanimous_vs_split(): + # Two inputs: input 0 all restarts agree (class 2); input 1 splits 2-2. + pred = np.array([[2, 2, 2, 2], [0, 0, 1, 1]]) + z = np.zeros((2, 4, 3)) # identical endpoints => zero dispersion + feats, names = basin_features(_toy_traj(pred, z, np.zeros((2, 4, 2)), np.zeros((2, 4, 1)), 3)) + assert names == ["basin/rho", "basin/entropy", "basin/dispersion"] + + rho, entropy, dispersion = feats[:, 0], feats[:, 1], feats[:, 2] + assert rho[0] == 1.0 and entropy[0] == 0.0 # unanimous + assert np.isclose(rho[1], 0.5) + assert np.isclose(entropy[1], np.log(2)) # 2-2 split -> ln 2 nats + assert np.allclose(dispersion, 0.0) + + +def test_basin_dispersion_grows_with_spread(): + pred = np.zeros((1, 2), dtype=int) + z_close = np.array([[[0.0, 0.0], [0.1, 0.0]]]) + z_far = np.array([[[0.0, 0.0], [3.0, 4.0]]]) # pairwise distance 5 + zeros = (np.zeros((1, 2, 2)), np.zeros((1, 2, 1))) + d_close = basin_features(_toy_traj(pred, z_close, *zeros, 1))[0][0, 2] + d_far = basin_features(_toy_traj(pred, z_far, *zeros, 1))[0][0, 2] + assert np.isclose(d_close, 0.1) + assert np.isclose(d_far, 5.0) + assert d_far > d_close + + +def test_energy_stats_order(): + # terminal energy = energies[..., -1]. Input 0 restarts end at {1, 3}; input 1 at {2, 2}. + energies = np.array([[[9, 1], [9, 3]], [[9, 2], [9, 2]]], dtype=float) # (B=2, K=2, T+1=2) + feats, names = energy_features(_toy_traj(np.zeros((2, 2), int), np.zeros((2, 2, 1)), + energies, np.zeros((2, 2, 1)), 1)) + assert names == ["energy/mean", "energy/min", "energy/std"] + emean, emin, estd = feats[:, 0], feats[:, 1], feats[:, 2] + assert np.allclose(emean, [2.0, 2.0]) and np.allclose(emin, [1.0, 2.0]) + assert np.all(emin <= emean + 1e-9) + assert np.isclose(estd[1], 0.0) # identical -> zero spread + + +def test_dynamics_values(): + # One input, one restart. Energy strictly decreasing 4->3->2->1 (T=3 steps): monotonic=1. + energies = np.array([[[4.0, 3.0, 2.0, 1.0]]]) # (1, 1, 4) + grad_norms = np.array([[[0.5, 0.4, 1e-4]]]) # converges at step 2 (< tol) + traj = _toy_traj(np.zeros((1, 1), int), np.zeros((1, 1, 1)), energies, grad_norms, 1) + feats, names = dynamics_features(traj, grad_tol=1e-3) + assert names == ["dynamics/steps", "dynamics/monotonic", "dynamics/drop", "dynamics/residual"] + steps, monotonic, drop, residual = feats[0] + assert np.isclose(steps, 2 / 3) # first below-tol step is index 2, /T + assert np.isclose(monotonic, 1.0) + assert np.isclose(drop, 3.0) # 4 - 1 + assert np.isclose(residual, 1e-4) # terminal grad norm + + +def test_dynamics_steps_defaults_to_T_when_never_converged(): + grad_norms = np.array([[[1.0, 1.0, 1.0]]]) # never below tol + traj = _toy_traj(np.zeros((1, 1), int), np.zeros((1, 1, 1)), + np.zeros((1, 1, 4)), grad_norms, 1) + steps = dynamics_features(traj, grad_tol=1e-3)[0][0, 0] + assert np.isclose(steps, 1.0) # T/T + + +# ------------------------------- single-feature AUROC ----------------------------------------- + + +def test_single_feature_auroc(): + correct = np.array([True, True, False, False]) + assert single_feature_auroc(np.array([3.0, 4.0, 1.0, 2.0]), correct) == 1.0 # ordered + assert single_feature_auroc(np.array([1.0, 2.0, 3.0, 4.0]), correct) == 0.0 # reversed + assert single_feature_auroc(np.array([1.0, 1.0, 1.0, 1.0]), correct) == 0.5 # all ties + assert single_feature_auroc(np.array([1.0, 2.0, 3.0]), np.array([True, True, True])) == 0.5 + + +def test_auroc_near_half_on_noise(): + rng = np.random.default_rng(0) + feature = rng.standard_normal(2000) + correct = rng.integers(0, 2, size=2000).astype(bool) + assert abs(single_feature_auroc(feature, correct) - 0.5) < 0.05 + + +# ------------------------------- batched curvature -------------------------------------------- + + +def test_batched_curvature_matches_quadratic(): + d, n = 5, 3 + A = np.random.default_rng(0).standard_normal((d, d)).astype(np.float32) + A = A @ A.T + np.eye(d, dtype=np.float32) # SPD + + def energy(_params, _h, z): # ignores params/context + return 0.5 * np.einsum("ni,ij,nj->n", np.asarray(z), A, np.asarray(z)) + + import jax.numpy as jnp + + def jax_energy(_params, _h, z): + return 0.5 * jnp.einsum("ni,ij,nj->n", z, jnp.asarray(A), z) + + zs = jnp.asarray(np.random.default_rng(1).standard_normal((n, d)).astype(np.float32)) + contexts = jnp.zeros((n, 1)) + lmax, trace = batched_curvature(jax_energy, {}, contexts, zs, root_key(3), + iters=60, n_probes=256) + top = float(np.linalg.eigvalsh(A)[-1]) + assert np.allclose(np.asarray(lmax), top, rtol=2e-2) # Hessian is constant A for every z + assert np.allclose(np.asarray(trace), float(np.trace(A)), rtol=0.15) + _ = energy # numpy reference kept for documentation + + +def test_batched_curvature_matches_per_particle_loop(): + # Batched wrapper must equal the per-particle primitives with the same derived keys. + import jax + + cfg = load_config("configs/smoke.toml") + task = ArithmeticTask() + params, fns, _ = mlp_ebm.build(cfg, task.n_classes, task.feature_dim, root_key(0)) + + import jax.numpy as jnp + + batch = task.sample(numpy_rng(0, 1), 3, "id") + traj = restarts.solve(fns, params, jnp.asarray(batch.x), cfg, root_key(0)) + + B, K, dlat = np.asarray(traj.z_star).shape + contexts = jnp.asarray(np.repeat(np.asarray(traj.h_x), K, axis=0)) + zs = jnp.asarray(np.asarray(traj.z_star).reshape(B * K, dlat)) + key = root_key(7) + + lmax_b, trace_b = batched_curvature(fns.energy, params, contexts, zs, key) + + N = contexts.shape[0] + keys = jax.random.split(key, N) + lmax_ref, trace_ref = [], [] + for i in range(N): + k_lam, k_tr = jax.random.split(keys[i]) + f = energy_at(fns.energy, params, contexts[i]) + lmax_ref.append(float(lambda_max(f, zs[i], k_lam))) + trace_ref.append(float(hutchinson_trace(f, zs[i], k_tr))) + assert np.allclose(np.asarray(lmax_b), lmax_ref, atol=1e-4) + assert np.allclose(np.asarray(trace_b), trace_ref, atol=1e-4) + + +# ------------------------------- full assembly on a real model -------------------------------- + + +def _real_traj(seed=0, n=8): + import jax.numpy as jnp + + cfg = load_config("configs/smoke.toml") + task = ArithmeticTask() + params, fns, _ = mlp_ebm.build(cfg, task.n_classes, task.feature_dim, root_key(seed)) + batch = task.sample(numpy_rng(seed, 1), n, "id") + traj = restarts.solve(fns, params, jnp.asarray(batch.x), cfg, root_key(seed)) + return traj, fns, params, cfg + + +def test_geometry_features_shape_and_names(): + traj, fns, params, cfg = _real_traj(n=8) + feats, names = geometry_features(traj, fns, params, root_key(1), + grad_tol=cfg.inference.grad_tol) + assert feats.shape == (8, N_EXPECTED_FEATURES) + assert len(names) == N_EXPECTED_FEATURES + assert len(set(names)) == N_EXPECTED_FEATURES # unique + assert np.all(np.isfinite(feats)) + + +def test_geometry_features_deterministic(): + traj, fns, params, cfg = _real_traj(n=6) + f1, _ = geometry_features(traj, fns, params, root_key(2), grad_tol=cfg.inference.grad_tol) + f2, _ = geometry_features(traj, fns, params, root_key(2), grad_tol=cfg.inference.grad_tol) + assert np.array_equal(f1, f2) diff --git a/tests/test_graph_task.py b/tests/test_graph_task.py new file mode 100644 index 0000000..35160e7 --- /dev/null +++ b/tests/test_graph_task.py @@ -0,0 +1,67 @@ +"""GraphPlanningTask: BFS shortest-path labels, fixed-size padded encoding, size-shift OOD, and +determinism. Offline + CPU-only, pure NumPy (no training). +""" + +import numpy as np + +from edc.registry import build_task +from edc.tasks.graph_planning import _MAX_NODES, GraphPlanningTask, _shortest_len + + +def _chain(n): + adj = np.zeros((n, n)) + for a in range(n - 1): + adj[a, a + 1] = adj[a + 1, a] = 1.0 + return adj + + +def test_bfs_shortest_len(): + adj = _chain(5) # 0-1-2-3-4 + assert _shortest_len(adj, 0, 4, cap=5) == 4 + assert _shortest_len(adj, 1, 3, cap=5) == 2 + assert _shortest_len(adj, 0, 1, cap=5) == 1 + # cap: a path longer than cap reads as 0 (unreachable-or-farther) + assert _shortest_len(adj, 0, 4, cap=3) == 0 + # genuinely unreachable + disconnected = np.array([[0, 1, 0, 0], [1, 0, 0, 0], [0, 0, 0, 1], [0, 0, 1, 0]], float) + assert _shortest_len(disconnected, 0, 3, cap=5) == 0 + + +def test_sample_shapes_and_labels_in_range(): + task = GraphPlanningTask(n_nodes=7, ood_n_nodes=10, edge_prob=0.4, max_len=4) + assert task.feature_dim == _MAX_NODES * _MAX_NODES + 2 * _MAX_NODES + assert task.n_classes == 5 + b = task.sample(np.random.default_rng(0), 200, "id") + assert b.x.shape == (200, task.feature_dim) + assert b.y.shape == (200,) + assert b.y.min() >= 0 and b.y.max() < task.n_classes + + +def test_encoded_adjacency_symmetric_and_onehots(): + task = GraphPlanningTask(n_nodes=7) + b = task.sample(np.random.default_rng(1), 5, "id") + adj_block = _MAX_NODES * _MAX_NODES + for i in range(5): + adj = b.x[i, :adj_block].reshape(_MAX_NODES, _MAX_NODES) + assert np.allclose(adj, adj.T) # undirected + src = b.x[i, adj_block:adj_block + _MAX_NODES] + dst = b.x[i, adj_block + _MAX_NODES:] + assert src.sum() == 1.0 and dst.sum() == 1.0 # one source, one target + assert int(src.argmax()) != int(dst.argmax()) # distinct + + +def test_ood_uses_more_nodes_same_feature_dim(): + task = GraphPlanningTask(n_nodes=7, ood_n_nodes=10) + id_b = task.sample(np.random.default_rng(2), 300, "id") + ood_b = task.sample(np.random.default_rng(2), 300, "ood") + assert id_b.x.shape[1] == ood_b.x.shape[1] == task.feature_dim + # OOD graphs use more nodes, so on average more edges are active + assert task.difficulty(ood_b).mean() > task.difficulty(id_b).mean() + + +def test_determinism_and_registration(): + task = build_task("graph_planning", n_nodes=7, edge_prob=0.4) + assert isinstance(task, GraphPlanningTask) + a = task.sample(np.random.default_rng(3), 50, "id") + b = task.sample(np.random.default_rng(3), 50, "id") + assert np.array_equal(a.x, b.x) and np.array_equal(a.y, b.y) diff --git a/tests/test_halting.py b/tests/test_halting.py new file mode 100644 index 0000000..023cfa6 --- /dev/null +++ b/tests/test_halting.py @@ -0,0 +1,79 @@ +"""Adaptive halting: exact per-step agreement, stop-step policy, halting losses, and CRC +calibration (with the lambda = 1 - tau orientation). Offline + CPU-only, hand-built trajectories. +""" + +import numpy as np + +from edc.halting import adaptive as H + + +def test_per_step_agreement_exact(): + # 1 input, K=4 restarts, T+1=3 steps. t0: {0,1,2,3} all differ -> 1/4; t1: {5,5,5,6} -> 3/4; + # t2: all 5 -> 1.0. + step_pred = np.array([[[0, 5, 5], [1, 5, 5], [2, 5, 5], [3, 6, 5]]]) # (1,4,3) + agr = H.per_step_agreement(step_pred) + assert np.allclose(agr[0], [0.25, 0.75, 1.0]) + + +def test_halting_policy_first_crossing_else_full(): + a = np.array([0.25, 0.5, 0.75, 1.0]) + assert H.halting_policy(a, 0.75) == 2 # first step reaching 0.75 + assert H.halting_policy(a, 1.0) == 3 # only the last step is unanimous + assert H.halting_policy(a, 1.5) == 3 # never reached -> full budget (last index) + + +def test_halting_losses_early_vs_full(): + # K=2, T+1=3. Restart 0 always lowest energy => best-of-N follows restart 0. + # Restart-0 answers: step0=9, step1=9, step2=7 (full). Agreement: t0 {9,1}->0.5, t1 {9,2}->0.5, + # t2 {7,7}->1.0. At tau=1.0 we stop at t2 => early == full (7) => loss 0. At tau=0.5 we stop at + # t0 => early=9 != full=7 => loss 1, compute 0. + step_pred = np.array([[[9, 9, 7], [1, 2, 7]]]) # (1,2,3) + energies = np.array([[[0.0, 0.0, 0.0], [5.0, 5.0, 5.0]]]) # restart 0 lower + loss, compute = H.halting_losses(step_pred, energies, taus=[1.0, 0.5]) + assert loss[0, 0] == 0.0 and np.isclose(compute[0, 0], 1.0) # tau=1.0: full budget + assert loss[0, 1] == 1.0 and np.isclose(compute[0, 1], 0.0) # tau=0.5: halt at t0 + + +def test_halted_predictions_matches_policy(): + step_pred = np.array([[[9, 9, 7], [1, 2, 7]]]) + energies = np.array([[[0.0, 0.0, 0.0], [5.0, 5.0, 5.0]]]) + early, compute = H.halted_predictions(step_pred, energies, tau=1.0) + assert early[0] == 7 and np.isclose(compute[0], 1.0) + + +def _synthetic_cal(n=400, seed=0): + """Build (step_pred, energies) where higher tau (later stop) strictly lowers disagreement: + each input agrees early with prob p; a late-stop always matches the full answer.""" + rng = np.random.default_rng(seed) + K, T1 = 3, 5 + step_pred = np.zeros((n, K, T1), dtype=int) + energies = np.zeros((n, K, T1)) + energies[:, 1:, :] = 1.0 # restart 0 always lowest -> best-of-N follows it + full = rng.integers(0, 5, size=n) + for b in range(n): + step_pred[b, 0, -1] = full[b] # full answer at last step + early_ok = rng.random() < 0.7 + step_pred[b, 0, :-1] = full[b] if early_ok else (full[b] + 1) % 5 # early maybe wrong + step_pred[b, 1:, :] = (full[b] + 2) % 5 # other restarts disagree -> low early agreement + step_pred[b, :, -1] = full[b] # all agree at the end -> agreement 1.0 at end + return step_pred, energies + + +def test_crc_calibration_controls_halting_risk(): + step_pred, energies = _synthetic_cal(n=600, seed=1) + alpha, K = 0.1, 3 + taus = np.round(np.linspace(1.0 / K, 1.0, K), 4) + out = H.calibrate(step_pred, energies, alpha, taus) + # A feasible budget picks a tau whose empirical risk is within alpha; risk falls as tau rises. + assert out["tau_hat"] is not None + risk = np.array(out["risk_by_tau"]) + assert np.all(np.diff(risk) <= 1e-9) # non-increasing in tau (monotone) + chosen_idx = list(taus).index(out["tau_hat"]) + assert risk[chosen_idx] <= alpha # chosen point respects the budget + + +def test_calibrate_infeasible_budget_returns_none(): + step_pred, energies = _synthetic_cal(n=200, seed=2) + out = H.calibrate(step_pred, energies, alpha=0.0, taus=[0.34, 0.67, 1.0]) + # alpha=0 with finite calibration is structurally infeasible (CRC (n+1) correction) -> None. + assert out["tau_hat"] is None diff --git a/tests/test_inference_record_steps.py b/tests/test_inference_record_steps.py new file mode 100644 index 0000000..3e23d0e --- /dev/null +++ b/tests/test_inference_record_steps.py @@ -0,0 +1,44 @@ +"""solve(record_steps=True) populates a correct per-step decode trajectory; default leaves it None +and does not perturb the descent. Marked slow (builds a tiny model). Offline + CPU-only. +""" + +import jax.numpy as jnp +import numpy as np +import pytest + +from edc.config import load_config +from edc.energy import mlp_ebm +from edc.inference import restarts +from edc.seeding import numpy_rng, root_key +from edc.tasks.arithmetic import ArithmeticTask + +pytestmark = pytest.mark.slow + + +def _model(): + cfg = load_config("configs/smoke.toml") + task = ArithmeticTask() + params, fns, _ = mlp_ebm.build(cfg, task.n_classes, task.feature_dim, root_key(0)) + x = jnp.asarray(task.sample(numpy_rng(0, 1), 6, "id").x) + return cfg, fns, params, x + + +def test_record_steps_shape_and_final_consistency(): + cfg, fns, params, x = _model() + traj = restarts.solve(fns, params, x, cfg, root_key(0), record_steps=True) + B, K = np.asarray(traj.pred).shape + T1 = np.asarray(traj.energies).shape[-1] + sp = np.asarray(traj.step_pred) + assert sp.shape == (B, K, T1) + # the last recorded step is exactly the final decoded prediction + assert np.array_equal(sp[:, :, -1], np.asarray(traj.pred)) + + +def test_record_steps_off_is_none_and_nonintrusive(): + cfg, fns, params, x = _model() + on = restarts.solve(fns, params, x, cfg, root_key(0), record_steps=True) + off = restarts.solve(fns, params, x, cfg, root_key(0)) + assert off.step_pred is None + # recording must not change the descent itself + assert np.allclose(np.asarray(on.energies), np.asarray(off.energies)) + assert np.array_equal(np.asarray(on.pred), np.asarray(off.pred)) diff --git a/tests/test_make_tables.py b/tests/test_make_tables.py new file mode 100644 index 0000000..9b364e3 --- /dev/null +++ b/tests/test_make_tables.py @@ -0,0 +1,51 @@ +"""LaTeX table generation smoke test: T1/T2/T3 are well-formed from synthetic ledger rows. + +Offline + CPU-only. Checks structure (booktabs rules, labels, per-task T1, per-K T2) without +asserting exact numbers. +""" + +import aggregate +import make_tables +from test_aggregate import _row + + +def _rows(): + rows = [] + for k in (1, 4, 16): # arithmetic K-sweep + lift = 0.0 if k == 1 else 0.05 + for s in range(3): + rows.append(_row(k, s, lift, lift - 0.01, geo=0.1 - lift, best=0.14, + baseline_delta=(lift - 0.02, lift - 0.03))) + for s in range(3): # a second task at one K + rows.append(_row(12, s, 0.03, 0.01, geo=0.09, best=0.13, task="graph_planning", + baseline_delta=(0.01, -0.01))) + return rows + + +def test_tables_well_formed(): + rows = _rows() + + t1 = make_tables._t1(rows) # per-task + t2 = make_tables._t2(aggregate.aggregate_by_k(rows, task="arithmetic")) + t2b = make_tables._t2b(rows) # feature ablation + t3 = make_tables._t3(rows) + + for tex in (t1, t2, t2b, t3): + assert r"\toprule" in tex and r"\bottomrule" in tex and r"\begin{tabular}" in tex + + assert r"\label{tab:main}" in t1 + assert r"\label{tab:kablation}" in t2 + assert r"\label{tab:ablation}" in t2b and "drop\\_energy" in t2b + # T1 has one row per task (arithmetic + graph_planning) + t1_body = t1.split(r"\midrule")[1].split(r"\bottomrule")[0] + assert t1_body.count(r"\\") == 2 + assert "graph" in t1 and "arithmetic" in t1 + # T2 has one data row per arithmetic K (1, 4, 16) + t2_body = t2.split(r"\midrule")[1].split(r"\bottomrule")[0] + assert t2_body.count(r"\\") == 3 + # T3 lists every run + assert t3.count(r"\\") >= len(rows) + + +def test_delta_pm_formatting(): + assert make_tables._pm((0.0736, 0.012)) == r"$0.074 \pm 0.012$" diff --git a/tests/test_nonconformity.py b/tests/test_nonconformity.py new file mode 100644 index 0000000..df20c67 --- /dev/null +++ b/tests/test_nonconformity.py @@ -0,0 +1,42 @@ +"""Nonconformity mapper: learned score is monotone in a planted signal, standardisation travels +with the pickled object, the rho-basin fallback is exact, and a single-class fit fold degrades +gracefully. Offline + CPU-only. +""" + +import pickle + +import numpy as np + +from edc.conformal.nonconformity import fit_mapper, rho_basin_score, score + + +def test_score_monotone_in_planted_signal(): + rng = np.random.default_rng(0) + x = rng.standard_normal((400, 3)) + correct = (x[:, 0] + rng.standard_normal(400) * 0.3) > 0 # feature 0 predicts correctness + mapper = fit_mapper(x, correct) + s = score(mapper, x) + # higher feature 0 -> more likely correct -> higher p_hat -> LOWER nonconformity score + assert np.corrcoef(s, x[:, 0])[0, 1] < -0.5 + assert np.all((s >= 0.0) & (s <= 1.0)) + + +def test_standardisation_travels_through_pickle(): + rng = np.random.default_rng(1) + x = rng.standard_normal((200, 4)) * 100.0 + 5.0 # off-scale features + correct = x[:, 1] > x[:, 1].mean() + mapper = fit_mapper(x, correct) + s = score(mapper, x) + reloaded = pickle.loads(pickle.dumps(mapper)) + assert np.allclose(s, score(reloaded, x)) # scaler stats persist with the model + + +def test_rho_basin_score_exact(): + assert np.allclose(rho_basin_score([1.0, 0.5, 0.25]), [0.0, 0.5, 0.75]) + + +def test_single_class_fit_fold(): + rng = np.random.default_rng(2) + x = rng.standard_normal((50, 3)) + assert np.all(score(fit_mapper(x, np.zeros(50, bool)), x) == 1.0) # all-wrong -> s = 1 + assert np.all(score(fit_mapper(x, np.ones(50, bool)), x) == 0.0) # all-correct -> s = 0 diff --git a/tests/test_ood_validity.py b/tests/test_ood_validity.py new file mode 100644 index 0000000..a1462ee --- /dev/null +++ b/tests/test_ood_validity.py @@ -0,0 +1,47 @@ +"""F5/F6 metric blocks from the evaluate pipeline: OOD selective-risk validity (guarantee applied +under shift) and per-feature diagnostics. Marked slow (it trains). Offline + CPU-only. +""" + +import json + +import numpy as np +import pytest + +from edc.config import load_config +from edc.eval.evaluate import _ALPHA_GRID, evaluate +from edc.registry import build_task + +pytestmark = pytest.mark.slow + + +def test_ood_validity_and_feature_diagnostics_present(): + cfg = load_config("configs/smoke.toml") + task = build_task(cfg.run.task) + m = evaluate(cfg, task, include_ood=True) + + # F6: ood_validity mirrors the alpha grid with ID + OOD achieved risk, and an ood_ltt block. + ov = m["ood_validity"] + n = len(_ALPHA_GRID) + for key in ("target", "id_risk", "ood_risk", "id_coverage", "ood_coverage"): + assert len(ov[key]) == n + assert set(m["ood_ltt"]) >= {"alpha", "lambda_hat", "selective_risk", "coverage", + "risk_within_budget"} + + # F5: 14 named per-feature AUROCs + histograms whose counts sum to the class sizes. + fd = m["feature_diagnostics"] + assert len(fd["auroc"]) == 14 and len(fd["names"]) == 14 + n_correct = int(np.round(m["accuracy_id"] * m["n_test"])) + h = fd["hist"][fd["names"][0]] + assert len(h["edges"]) == 21 # 20 bins + assert sum(h["correct_counts"]) == n_correct + assert sum(h["correct_counts"]) + sum(h["incorrect_counts"]) == m["n_test"] + + json.dumps(m) # ledger-serialisable + + +def test_include_ood_false_omits_f6_blocks(): + cfg = load_config("configs/smoke.toml") + task = build_task(cfg.run.task) + m = evaluate(cfg, task, include_ood=False) + assert "ood_validity" not in m and "ood_ltt" not in m + assert "feature_diagnostics" in m # F5 does not need the OOD fold diff --git a/tests/test_plotting_f5_f6.py b/tests/test_plotting_f5_f6.py new file mode 100644 index 0000000..e6f3ca4 --- /dev/null +++ b/tests/test_plotting_f5_f6.py @@ -0,0 +1,52 @@ +"""F5/F6 plotting: renders a PNG from a synthetic ledger row and skips cleanly when the block is +absent. Offline + CPU-only; skipped if matplotlib (the optional plot extra) is unavailable. +""" + +import numpy as np +import pytest + +pytest.importorskip("matplotlib") + +from edc import plotting # noqa: E402 + + +def _row_with_blocks(): + names = ["basin/rho", "basin/entropy", "curv/lmax_best", "energy/min", "dynamics/steps"] + rng = np.random.default_rng(0) + hist = {n: {"edges": np.linspace(0, 1, 21).tolist(), + "correct_counts": rng.integers(0, 30, 20).tolist(), + "incorrect_counts": rng.integers(0, 10, 20).tolist()} for n in names} + metrics = { + "n_test": 500, + "feature_diagnostics": { + "names": names, + "auroc": {"basin/rho": 0.78, "basin/entropy": 0.30, "curv/lmax_best": 0.66, + "energy/min": 0.55, "dynamics/steps": 0.50}, + "hist": hist, + }, + "ood_validity": { + "target": [0.05, 0.1, 0.2, 0.3], + "id_risk": [0.03, 0.08, 0.15, 0.22], # ID stays on/below diagonal + "ood_risk": [0.4, 0.5, 0.6, 0.7], # OOD breaks above diagonal + "id_coverage": [0.2, 0.5, 0.8, 0.95], + "ood_coverage": [0.3, 0.6, 0.85, 0.97], + }, + } + return [{"split": "selective", "metrics": metrics}] + + +def test_f5_f6_render(tmp_path): + rows = _row_with_blocks() + f5 = plotting.feature_diagnostics(rows, str(tmp_path / "f5.png")) + f6 = plotting.ood_stress(rows, str(tmp_path / "f6.png")) + assert (tmp_path / "f5.png").stat().st_size > 0 + assert (tmp_path / "f6.png").stat().st_size > 0 + assert f5.endswith("f5.png") and f6.endswith("f6.png") + + +def test_missing_blocks_raise_valueerror(tmp_path): + rows = [{"split": "selective", "metrics": {"n_test": 10}}] # no F5/F6 blocks + with pytest.raises(ValueError): + plotting.feature_diagnostics(rows, str(tmp_path / "f5.png")) + with pytest.raises(ValueError): + plotting.ood_stress(rows, str(tmp_path / "f6.png")) diff --git a/tests/test_run_sweep.py b/tests/test_run_sweep.py new file mode 100644 index 0000000..36f198d --- /dev/null +++ b/tests/test_run_sweep.py @@ -0,0 +1,41 @@ +"""Sweep grid expansion and dotted-key overrides — pure config manipulation, no training. + +Offline + CPU-only: exercises only the parsing/expansion helpers of experiments/run_sweep.py +(the per-cell training is covered by the slow pipeline test). +""" + +import run_sweep + + +def test_set_dotted_nested(): + d = {"inference": {"k_restarts": 8}} + run_sweep._set_dotted(d, "inference.k_restarts", 16) + run_sweep._set_dotted(d, "run.seed", 3) # creates the intermediate dict + assert d["inference"]["k_restarts"] == 16 + assert d["run"]["seed"] == 3 + + +def test_expand_grid_cartesian(): + cells = run_sweep.expand_grid({"a": [1, 2], "b": [10, 20, 30]}) + assert len(cells) == 6 + assert {"a": 1, "b": 10} in cells and {"a": 2, "b": 30} in cells + assert run_sweep.expand_grid({}) == [{}] # empty grid -> one no-op cell + + +def test_cell_config_applies_override_and_cell(): + base = {"inference": {"k_restarts": 8, "steps": 50}, "eval": {"n_eval": 1500}, + "run": {"seed": 0}} + override = {"eval.n_eval": 600} + cell = {"inference.k_restarts": 4, "run.seed": 2} + d = run_sweep.cell_config_dict(base, override, cell) + assert d["eval"]["n_eval"] == 600 # override applied + assert d["inference"]["k_restarts"] == 4 and d["run"]["seed"] == 2 # cell applied + assert d["inference"]["steps"] == 50 # untouched key preserved + assert base["inference"]["k_restarts"] == 8 # base not mutated (deep-copied) + + +def test_load_sweep_reads_real_config(): + base, override, cells = run_sweep.load_sweep("configs/sweeps/k_restarts.toml") + assert len(cells) == 25 # 5 K x 5 seeds + assert override["eval.n_eval"] == 600 + assert base["task"]["arithmetic"]["n_operands"] == 6 # base experiment config resolved diff --git a/tests/test_selective.py b/tests/test_selective.py new file mode 100644 index 0000000..ef827ad --- /dev/null +++ b/tests/test_selective.py @@ -0,0 +1,28 @@ +"""Selective-prediction wrapper: exact abstain behaviour (boundary answers) and the coverage +identity linking it to the conformal layer. Offline + CPU-only. +""" + +import numpy as np + +from edc.conformal.selective import ABSTAIN, selective_predict +from edc.conformal.split_conformal import empirical_coverage + + +def test_selective_predict_exact_with_boundary(): + ans = selective_predict([3, 1, 4, 1], [0.1, 0.9, 0.5, 0.5], threshold=0.5) + assert list(ans) == [3, ABSTAIN, 4, 1] # s == threshold answers + + +def test_selective_predict_extremes(): + pred = np.array([7, 8, 9]) + assert list(selective_predict(pred, [0.1, 0.2, 0.3], float("inf"))) == [7, 8, 9] # admit all + assert list(selective_predict(pred, [0.1, 0.2, 0.3], float("-inf"))) == [ABSTAIN] * 3 + + +def test_coverage_matches_empirical_coverage(): + rng = np.random.default_rng(0) + scores = rng.random(500) + pred = rng.integers(0, 5, size=500) + thr = 0.4 + answers = selective_predict(pred, scores, thr) + assert np.isclose((answers != ABSTAIN).mean(), empirical_coverage(scores, thr))