"""KCS — Key-Concept Similarity (Phase 1, idx 5). For each layer l, find the top-K = 32 MLP neurons by |pre-activation| at [CLS], i.e. ``cache.mlp_pre_act[l][:, 0, :]``. Each selected neuron j corresponds to a value vector v_{l, j} = W_down[l][:, j] (the j-th column of the MLP down-projection); its logit-space contribution is W_cls @ v_{l, j}. Build a (32 L) × (32 L) similarity matrix A[(l1, j1), (l2, j2)] = cos(W_cls @ v_{l1, j1}, W_cls @ v_{l2, j2}) and summarise: * top-10 eigenvalues of the normalised Laplacian of |A| (10) * Ripser persistence on (1 - A) treated as distance (18) * 5 global scalars: mean, std, max, min, median of |A| (5) Output dim = 33. References: Geva et al. EMNLP 2021/2022; Voita et al. ACL 2024. """ from __future__ import annotations import numpy as np import torch from .persistence_summary import ripser_summary_from_distance, column_names as pcol K = 32 L = 12 def _columns(): cols = [f"kcs_lap_eig{i}" for i in range(10)] cols.extend(pcol("kcs_pers")) cols.extend(["kcs_A_mean", "kcs_A_std", "kcs_A_max", "kcs_A_min", "kcs_A_median"]) return cols COLUMNS = _columns() DIM = len(COLUMNS) def _mlp_w_down(model) -> list: """Return per-layer W_down weight tensors (D, 4D), one per encoder layer.""" if hasattr(model, "roberta"): layers = model.roberta.encoder.layer elif hasattr(model, "electra"): layers = model.electra.encoder.layer else: layers = model.encoder.layer return [l.output.dense.weight.detach() for l in layers] def _classifier_out_proj(model) -> torch.Tensor: cls = model.classifier for attr in ("out_proj", "dense", "fc", "linear"): if hasattr(cls, attr): sub = getattr(cls, attr) if isinstance(sub, torch.nn.Linear): return sub.weight.detach() if isinstance(cls, torch.nn.Linear): return cls.weight.detach() raise RuntimeError("Could not locate classifier out_proj weight") def _normalised_laplacian_eigs(A: np.ndarray, k: int = 10) -> np.ndarray: n = A.shape[0] A = np.abs(A) np.fill_diagonal(A, 0.0) d = A.sum(axis=1) d_safe = np.where(d > 0, d, 1.0) D_inv_sqrt = 1.0 / np.sqrt(d_safe) L_norm = np.eye(n) - (D_inv_sqrt[:, None] * A * D_inv_sqrt[None, :]) try: ev = np.linalg.eigvalsh(0.5 * (L_norm + L_norm.T)) except np.linalg.LinAlgError: return np.zeros(k, dtype=np.float32) ev = np.sort(ev)[::-1] out = np.zeros(k, dtype=np.float32) out[:min(k, ev.size)] = ev[:min(k, ev.size)] return out def extract_kcs(model, input_ids, attention_mask, cache, pred_label=None): """Return (features (B, 33), columns).""" B = input_ids.shape[0] feats = np.zeros((B, DIM), dtype=np.float32) W_cls = _classifier_out_proj(model).float() # (C, D) W_down = _mlp_w_down(model) # list of (D, 4D) # Per-layer pre-activation magnitudes at [CLS] # cache.mlp_pre_act[l] shape (B, T, 4D) pre_cls = [cache.mlp_pre_act[l][:, 0, :].float() for l in range(L)] # list of (B, 4D) for b in range(B): # Per-layer top-K indices into 4D for THIS sample top_idx = [] for l in range(L): mag = pre_cls[l][b].abs() k_eff = min(K, mag.shape[0]) _, idx = torch.topk(mag, k_eff) top_idx.append(idx.cpu().numpy()) # Project the selected neurons' value-vectors through W_cls proj = [] # (n_l × C) node_layer = [] for l in range(L): idx = top_idx[l] V = W_down[l][:, idx].float() # (D, k) P = (W_cls @ V).T # (k, C) proj.append(P) node_layer.extend([l] * idx.size) Proj = torch.cat(proj, dim=0) # (sum_k, C) Pn = torch.nn.functional.normalize(Proj, dim=-1) A = (Pn @ Pn.T).cpu().numpy() # (n, n) eigs = _normalised_laplacian_eigs(A, k=10) feats[b, 0:10] = eigs D = 1.0 - A np.fill_diagonal(D, 0.0) pers, _ = ripser_summary_from_distance(D, maxdim=1, prefix="kcs_pers") feats[b, 10 : 28] = pers off = A.copy() np.fill_diagonal(off, 0.0) v = off[np.triu_indices_from(off, k=1)] feats[b, 28:33] = [ float(v.mean()), float(v.std()), float(v.max()), float(v.min()), float(np.median(v)), ] return feats, COLUMNS