"""k-mer (Markov) baselines: bits per base of order-0..7 models fitted on train, scored out of sample. python og2baseline.py [--root .] [--fit train] [--eval heldout valid] [--alpha 0.5] [--workers 8] Fit: the train split's 8-mer counts (stats/train_kmer8.npz from og2stats.py; case folded, k-mers with N or crossing a window boundary excluded) give, for each order k, P(b | previous k bases) = (c(ctx, b) + alpha) / (c(ctx) + 4 alpha). Score: on each evaluation split, every position i of every window whose target and 7 previous bases are A/C/G/T (the same positions for every order, so orders are comparable; these are exactly the targets kept by the loss mask, minus the first 7 of each window). Reports bits/base overall and per subset, plus the best order, and the in-sample value on train for reference (lower than out of sample: the model has seen those counts). Writes stats/baseline.json. A trained model's masked bits/base on heldout should be compared with the best order. """ from __future__ import annotations import argparse import json from collections import defaultdict from concurrent.futures import ProcessPoolExecutor from pathlib import Path import numpy as np K = 8 ORDERS = list(range(K)) def tables(k8: np.ndarray, alpha: float) -> dict[int, np.ndarray]: """log2 P(b | ctx) for each order: [4**k, 4] arrays.""" t = k8.reshape([4] * K).astype(np.float64) out = {} for k in ORDERS: c = t.sum(axis=tuple(range(k + 1, K))) if k + 1 < K else t # (k+1)-mer counts c = c.reshape(4**k, 4) out[k] = np.log2((c + alpha) / (c.sum(1, keepdims=True) + 4 * alpha)) return out _T: dict[int, np.ndarray] = {} def _init(tabs: dict[int, np.ndarray]) -> None: _T.update(tabs) def score_shard(npy: str, ids: list[int] | None) -> dict: """Summed -log2 P per order and position count for one shard.""" base = Path(npy).with_suffix("") arr = np.load(npy, mmap_mode="r") rows = [json.loads(line) for line in base.with_suffix(".jsonl").read_text().splitlines()] if ids is not None: rows = [rows[i] for i in ids] bits = np.zeros(K) n = 0 for r in rows: b = (np.asarray(arr[r["offset"]: r["offset"] + r["len"]]) & 7).astype(np.int64) L = len(b) if L <= K - 1: continue bad = np.concatenate([[0], np.cumsum(b >= 4)]) pos = np.arange(K - 1, L) # target positions with 7 previous bases ok = (bad[pos + 1] - bad[pos - (K - 1)]) == 0 # context + target all A/C/G/T pos = pos[ok] if len(pos) == 0: continue tgt = b[pos] ctx = np.zeros(len(pos), dtype=np.int64) for k in ORDERS: # ctx = code of the k bases before the target (grows one base per order) if k > 0: ctx = ctx + b[pos - k] * 4 ** (k - 1) bits[k] -= _T[k][ctx, tgt].sum() n += len(pos) return {"subset": base.parent.name, "bits": bits.tolist(), "n": n} def evaluate(root: Path, split: str, tabs: dict, workers: int) -> dict: sel_path = root / split / "selected.json" sel = json.loads(sel_path.read_text())["shards"] if sel_path.exists() else None jobs = [(str(p), None if sel is None else sel.get(str(p.with_suffix("").relative_to(root)), [])) for p in sorted((root / split).glob("*/*.npy"))] agg: dict[str, list] = defaultdict(lambda: [np.zeros(K), 0]) with ProcessPoolExecutor(workers, initializer=_init, initargs=(tabs,)) as ex: for res in ex.map(score_shard, *zip(*jobs), chunksize=4): g = agg[res["subset"]] g[0] += np.array(res["bits"]) g[1] += res["n"] tot_bits = sum((g[0] for g in agg.values()), np.zeros(K)) tot_n = sum(g[1] for g in agg.values()) def row(bits, n): bpb = {str(k): round(float(bits[k] / max(n, 1)), 5) for k in ORDERS} best = min(ORDERS, key=lambda k: bpb[str(k)]) return {"positions": int(n), "bits_per_base": bpb, "best_order": best, "best": bpb[str(best)]} return {"overall": row(tot_bits, tot_n), "subsets": {k: row(g[0], g[1]) for k, g in sorted(agg.items(), key=lambda kv: -kv[1][1])}} def main(argv: list[str] | None = None) -> None: ap = argparse.ArgumentParser(description=__doc__, formatter_class=argparse.RawDescriptionHelpFormatter) ap.add_argument("--root", type=Path, default=Path(".")) ap.add_argument("--fit", default="train") ap.add_argument("--eval", nargs="+", default=["heldout", "valid", "train"]) ap.add_argument("--alpha", type=float, default=0.5) ap.add_argument("--workers", type=int, default=8) a = ap.parse_args(argv) k8 = np.load(a.root / "stats" / f"{a.fit}_kmer8.npz")["overall"] tabs = tables(k8, a.alpha) out = {"fit": a.fit, "alpha": a.alpha, "orders": ORDERS, "splits": {}} for split in a.eval: if (a.root / split).exists(): out["splits"][split] = r = evaluate(a.root, split, tabs, a.workers) o = r["overall"] print(f"{split}: " + " ".join(f"k{k}={v:.4f}" for k, v in o["bits_per_base"].items()) + f" best k{o['best_order']} {o['best']:.4f} ({o['positions']:,} positions)") (a.root / "stats" / "baseline.json").write_text(json.dumps(out, indent=1)) if __name__ == "__main__": main()