"""Summarise the performance-first (``best_*``) runs. Produces ``results/tables/tab_best.csv`` with, per architecture: * per-fold stress R2 averaged over seeds (mean +- sd over folds/seeds) * pooled out-of-fold stress / shape / primary R2 for seed 0 and for the seed-averaged predictions (all seeds share one fold split by construction) and prints the markdown table used in the report. """ from __future__ import annotations import json import sys from pathlib import Path import numpy as np import pandas as pd ROOT = Path(__file__).resolve().parents[1] sys.path.insert(0, str(ROOT / "code")) from pimamba.data import TARGETS, TARGET_KEYS # noqa: E402 from pimamba.metrics import PRIMARY, _r2, regression_metrics # noqa: E402 RUNS = ROOT / "results" / "runs" TABLES = ROOT / "results" / "tables" def runs_of(prefix: str): out = {} for d in RUNS.glob(f"{prefix}_*_f*_s*"): try: m, f, s = d.name[len(prefix) + 1:].rsplit("_", 2) f = int(f[1:]); s = int(s[1:]) except ValueError: continue if (d / "metrics.json").exists(): out.setdefault(m, {}).setdefault(s, {})[f] = d return out def pooled(tags: dict, seeds: list[int]): """Pool the predictions of one model over the given seeds.""" P, Y, M = [], [], [] for f in sorted(tags[seeds[0]]): arrs = [np.load(tags[s][f] / "predictions.npz", allow_pickle=True) for s in seeds if f in tags.get(s, {})] if not arrs: continue P.append(np.mean([a["pred"] for a in arrs], 0)) Y.append(arrs[0]["true"]); M.append(arrs[0]["mask"]) if not P: return None return (np.concatenate(P), np.concatenate(Y), np.concatenate(M)) def score(P, Y, M): pt = regression_metrics(Y.reshape(-1, len(TARGETS)), P.reshape(-1, len(TARGETS)), M.reshape(-1, len(TARGETS))) j = TARGET_KEYS.index("sigma") mm = M[:, :, j] > 0 sig = _r2(Y[:, :, j][mm], P[:, :, j][mm]) ys, ps = [], [] for i in range(P.shape[0]): k = M[i, :, j] > 0 if k.sum() < 4: continue ys.append(Y[i, k, j] - Y[i, k, j].mean()) ps.append(P[i, k, j] - P[i, k, j].mean()) shape = _r2(np.concatenate(ys), np.concatenate(ps)) prim = [pt[k]["r2"] for k in PRIMARY if np.isfinite(pt[k]["r2"])] return dict(sigma=sig, shape=shape, primary=float(np.mean(prim))) def main(prefix="best"): found = runs_of(prefix) rows = [] for m, per_seed in sorted(found.items()): seeds = sorted(per_seed) folds = sorted(per_seed[seeds[0]]) nparams = json.loads((per_seed[seeds[0]][folds[0]] / "metrics.json").read_text())["n_params"] fold_r2 = [] for s in seeds: for f, d in per_seed[s].items(): r = json.loads((d / "metrics.json").read_text()) fold_r2.append(r["per_target"]["sigma"]["r2"]) row = {"model": m, "seeds": len(seeds), "folds": len(folds), "params": nparams, "fold_r2_mean": float(np.mean(fold_r2)), "fold_r2_sd": float(np.std(fold_r2)), "n_runs": sum(len(v) for v in per_seed.values())} full = all(len(per_seed[s]) == 5 for s in seeds) if full: for tag, ss in (("seed0", [seeds[0]]), ("seedavg", seeds)): g = pooled(per_seed, ss) sc = score(*g) row[f"{tag}_sigma"] = round(sc["sigma"], 3) row[f"{tag}_shape"] = round(sc["shape"], 3) row[f"{tag}_primary"] = round(sc["primary"], 3) rows.append(row) df = pd.DataFrame(rows) TABLES.mkdir(parents=True, exist_ok=True) df.to_csv(TABLES / f"tab_{prefix}.csv", index=False) print(df.to_string(index=False)) return df if __name__ == "__main__": main(sys.argv[1] if len(sys.argv) > 1 else "best")