paper_extraction / src /extract_topological_features.py
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"""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