"""Single-attention topological features (ripser / template / graph). v1: load precomputed .npy from paper/drive_folder/ and flatten to (N, F). v2 (TODO): recompute from raw attention dumps using ripser + networkx. """ from __future__ import annotations from pathlib import Path from typing import Dict, List, Tuple import numpy as np def _load_and_flatten(path: str, sample_axis_last: bool, expected_n: int) -> np.ndarray: """The shipped .npy files have N on different axes depending on the feature type. Observed shapes (paper/drive_folder/): ripser (12, 12, N, 14) template (12, 12, 7, N) graph (12, 12, 9, N, 6) We locate the axis with size == expected_n and move it to the front. """ arr = np.load(path) n_axes = [i for i, s in enumerate(arr.shape) if s == expected_n] if not n_axes: raise ValueError(f"Unexpected shape {arr.shape} for {path}; expected N={expected_n}") moved = np.moveaxis(arr, n_axes[0], 0) return moved.reshape(moved.shape[0], -1).astype(np.float32) def load_existing_features( cfg_files: Dict[str, str], split: str, n_samples: int ) -> Tuple[np.ndarray, List[str]]: """Return (N, F_total) feature matrix concatenating ripser+template+graph.""" groups = [ (f"ripser_{split}", "ripser"), (f"template_{split}", "template"), (f"graph_{split}", "graph"), ] arrays, names = [], [] for key, label in groups: path = cfg_files.get(key) if not path or not Path(path).exists(): continue flat = _load_and_flatten(path, sample_axis_last=True, expected_n=n_samples) arrays.append(flat) names.extend([f"{label}_{i}" for i in range(flat.shape[1])]) if not arrays: return np.zeros((n_samples, 0), dtype=np.float32), [] return np.concatenate(arrays, axis=1), names def load_recomputed_features( recomputed_dir: str | Path, split: str, n_samples: int ) -> Tuple[np.ndarray, List[str]]: """Load features that were produced by ``scripts/07_recompute_topology.py``. Expected files under ``recomputed_dir``: - ``{split}_ripser.npy`` — (L, H, N, 14) - ``{split}_template.npy`` — (L, H, 7, N) - ``{split}_s_w_e_v_c_b0b1_m_k_lists_array_6.npy`` — (L, H, 9, N, 6) """ rd = Path(recomputed_dir) mapping = { f"ripser_{split}": ("ripser", rd / f"{split}_ripser.npy"), f"template_{split}": ("template", rd / f"{split}_template.npy"), f"graph_{split}": ("graph", rd / f"{split}_s_w_e_v_c_b0b1_m_k_lists_array_6.npy"), } cfg_files = {key: str(path) for key, (_, path) in mapping.items()} return load_existing_features(cfg_files, split=split, n_samples=n_samples) def _process_one_sample(args): """Worker: load one sample's attention .npz and compute its features.""" idx, attn_dir_str = args from .topology_features import extract_all_features # local import for spawn-safety from pathlib import Path as _Path with np.load(_Path(attn_dir_str) / f"{idx:06d}.npz") as data: attn = data["attn"].astype(np.float32) return idx, extract_all_features(attn) def recompute_from_attention( attn_dir: Path, indices: List[int], n_workers: int = 1 ) -> Tuple[np.ndarray, np.ndarray, np.ndarray]: """Recompute the three SingleAttention feature families from on-disk attention dumps. For each sample idx in ``indices``, loads ``attn_dir/{idx:06d}.npz`` (shape (L, H, T, T)) and computes graph/ripser/template features per (layer, head). Returns three arrays matching the schema of paper/drive_folder/*.npy: - graph : (L, H, N_graph=9, N, N_thresholds=6) - ripser : (L, H, N, N_ripser=14) - template : (L, H, N_template=7, N) Use ``n_workers > 1`` to parallelize across samples via multiprocessing (networkx is pure-Python so this is CPU-bound and benefits from many cores). Graph and Ripser features are validated against the precomputed arrays by 06_parity_test.py (max abs error ≈ 1 unit for graph counts due to float16 storage; ≈ 1e-3 for Ripser longest deaths). Template features use a best-effort definition (max abs error ≈ 0.1; see topology_features.py). """ from .topology_features import ( extract_all_features, THRESHOLDS, N_RIPSER, N_TEMPLATE, N_GRAPH, ) from tqdm import tqdm N = len(indices) probe = np.load(attn_dir / f"{indices[0]:06d}.npz")["attn"] L, H = probe.shape[:2] graph_arr = np.zeros((L, H, N_GRAPH, N, len(THRESHOLDS)), dtype=np.float32) ripser_arr = np.zeros((L, H, N, N_RIPSER), dtype=np.float32) template_arr = np.zeros((L, H, N_TEMPLATE, N), dtype=np.float32) pos_of = {idx: n for n, idx in enumerate(indices)} args = [(idx, str(attn_dir)) for idx in indices] if n_workers <= 1: for n, idx in enumerate(tqdm(indices, desc="recompute features")): _, feats = _process_one_sample(args[n]) graph_arr[:, :, :, n, :] = feats["graph"] ripser_arr[:, :, n, :] = feats["ripser"] template_arr[:, :, :, n] = feats["template"] return graph_arr, ripser_arr, template_arr from multiprocessing import Pool with Pool(processes=n_workers) as pool: for idx, feats in tqdm( pool.imap_unordered(_process_one_sample, args, chunksize=4), total=N, desc=f"recompute features [{n_workers}w]", ): n = pos_of[idx] graph_arr[:, :, :, n, :] = feats["graph"] ripser_arr[:, :, n, :] = feats["ripser"] template_arr[:, :, :, n] = feats["template"] return graph_arr, ripser_arr, template_arr