"""PBD — Persistence Barycenter Drift across layers (Sprint 1, Idea 2). For each layer l in L* = {0, 3, 6, 9, 11}: 1. Compute per-head PD-summary (18 scalars) for all 12 heads on the per-head attention matrix. 2. Approximate the diagram barycenter as the *medoid* head: the one with minimum mean L2 distance (in PD-summary space) to all other heads. 3. Record per-layer: mean head-to-medoid distance, max distance, median distance, and the medoid PD-summary norm. Across consecutive layer pairs: 4. Layer-pair barycenter drift = L2(medoid_l_summary, medoid_{l+1}_summary). 5. Aggregate: cumulative drift, max drift, max-drift layer index, late/early drift ratio. Total: 5 layers * 4 = 20 + 4 inter-layer drifts + 4 aggregate = 28 scalars. """ from __future__ import annotations import numpy as np from .pd_hdg import _pd_summary_for_attention LAYERS = (0, 3, 6, 9, 11) def _columns(): cols = [] for l in LAYERS: cols.extend([ f"pbd_L{l}_mean_to_medoid", f"pbd_L{l}_max_to_medoid", f"pbd_L{l}_med_to_medoid", f"pbd_L{l}_medoid_pd_norm", ]) for i in range(len(LAYERS) - 1): cols.append(f"pbd_drift_L{LAYERS[i]}_to_L{LAYERS[i+1]}") cols.extend([ "pbd_drift_cum", "pbd_drift_max", "pbd_drift_argmax_idx", "pbd_drift_late_over_early", ]) return cols COLUMNS = _columns() DIM = len(COLUMNS) def extract_pbd(model, input_ids, attention_mask, cache, pred_label=None): """Return (features (B, DIM), columns).""" B = input_ids.shape[0] feats = np.zeros((B, DIM), dtype=np.float32) medoid_block = 4 * len(LAYERS) drift_block = medoid_block + (len(LAYERS) - 1) agg_block = drift_block for b in range(B): T_b = int(attention_mask[b].sum().item()) T_b = max(T_b, 3) medoid_summaries = np.zeros((len(LAYERS), 18), dtype=np.float32) for li, l in enumerate(LAYERS): A = cache.attn_weights[l][b].detach().float().cpu().numpy() T_use = min(T_b, A.shape[-1]) H = A.shape[0] pd_vec = np.zeros((H, 18), dtype=np.float32) for h in range(H): pd_vec[h] = _pd_summary_for_attention(A[h, :T_use, :T_use]) mu = pd_vec.mean(axis=0, keepdims=True) sd = pd_vec.std(axis=0, keepdims=True) + 1e-6 Z = (pd_vec - mu) / sd diff = Z[:, None, :] - Z[None, :, :] D = np.sqrt((diff ** 2).sum(axis=-1)) mean_d = D.mean(axis=1) m_idx = int(np.argmin(mean_d)) d_to_m = D[m_idx] d_to_m_others = np.delete(d_to_m, m_idx) feats[b, li * 4 + 0] = d_to_m_others.mean() feats[b, li * 4 + 1] = d_to_m_others.max() feats[b, li * 4 + 2] = float(np.median(d_to_m_others)) feats[b, li * 4 + 3] = float(np.linalg.norm(pd_vec[m_idx])) medoid_summaries[li] = pd_vec[m_idx] drifts = np.zeros(len(LAYERS) - 1, dtype=np.float32) for i in range(len(LAYERS) - 1): drifts[i] = float(np.linalg.norm(medoid_summaries[i + 1] - medoid_summaries[i])) feats[b, medoid_block : drift_block] = drifts feats[b, agg_block + 0] = float(drifts.sum()) feats[b, agg_block + 1] = float(drifts.max() if drifts.size else 0.0) feats[b, agg_block + 2] = float(np.argmax(drifts)) if drifts.size else 0.0 half = len(drifts) // 2 early = drifts[:half].sum() if half else 0.0 late = drifts[half:].sum() if half else 0.0 feats[b, agg_block + 3] = float(late / (early + 1e-6)) return feats, COLUMNS