import os import argparse import pickle import torch import numpy as np import networkx as nx import random import matplotlib.pyplot as plt from tqdm import tqdm from torch.nn.utils.rnn import pad_sequence from collections import defaultdict from sklearn.decomposition import PCA # Import project modules from model.transformer import GPTConfig, GPT from model.transformer_rope import GPTRoPEConfig, GPTRoPE from model.transformer_nextlat import TransformerNextLatConfig, TransformerNextLat from model.mamba import MambaConfig, Mamba from model.mamba2 import Mamba2Config, Mamba2 from model.gated_deltanet import GatedDeltaNetConfig, GatedDeltaNet from model.gru import GRUConfig, GRU from cli_utils import parse_count, format_count def parse_args(): parser = argparse.ArgumentParser( description='Analyze hidden state clustering by wall structure (legal moves).') # --- Model & Data Configuration --- parser.add_argument('--model', type=str, default='transformer', choices=['transformer', 'transformer-rope', 'transformer-nextlat', 'mamba', 'mamba2', 'gated-deltanet', 'gru'], help='Model architecture (matches out// dir). Default: transformer') parser.add_argument('--ckpt_iter', type=int, default=10000) parser.add_argument('--config', type=str, default='12_12_576') parser.add_argument('--device', type=str, default='cuda:0') parser.add_argument('--num_nodes', type=int, default=100) parser.add_argument('--num_of_paths', type=int, default=20) parser.add_argument('--multitasks', action=argparse.BooleanOptionalAction, default=True) parser.add_argument('--num_train_dataset', type=parse_count, default="10M") parser.add_argument('--tasks', type=str, default='C1') parser.add_argument('--CL', action=argparse.BooleanOptionalAction, default=False) parser.add_argument('--path_type', type=str, default='RWs', choices=['RWc', 'RWa', 'RWs']) parser.add_argument('--no_task_tag', action='store_true', default=False) parser.add_argument('--local', action=argparse.BooleanOptionalAction, default=False) parser.add_argument('--NLS', action='store_true', default=False, help='Use NLS model checkpoint (adds _NLS suffix to filenames)') # --- Clustering Specific --- parser.add_argument('--num_samples', type=int, default=5000, help='Number of prefix sequences to sample.') parser.add_argument('--batch_size', type=int, default=128) parser.add_argument('--min_samples_per_class', type=int, default=30, help='Minimum number of samples required to keep a class.') parser.add_argument('--cluster_by', type=str, default='current_token', choices=['node', 'wall_type', 'predicted_token', 'current_token'], help='Clustering criteria: node, wall_type, predicted_token, or current_token ' '(the last/probed token of the prefix). ' '(For Task-specific criteria see --cluster_by_orientation / --cluster_by_taskE_token_type.)') parser.add_argument('--probe_tasks', type=str, default='C', help='Which task identifier to probe (e.g., A, C, E, H, or I)') # --- Task C additions --- parser.add_argument('--rel_wall_type', action=argparse.BooleanOptionalAction, default=False, help='Task C only: cluster by legal moves expressed as L/R/F/T relative to current orientation. Overrides --cluster_by when set.') parser.add_argument('--cluster_by_orientation', action=argparse.BooleanOptionalAction, default=False, help='Task C only: cluster by current orientation (N/S/E/W) instead of --cluster_by. Overrides --cluster_by when set.') # --- Task E additions --- parser.add_argument('--taskE_probe_type', type=str, default='label', choices=['dir', 'label'], help='For Task E, probe at the "dir" token or the "label" token position.') parser.add_argument('--cluster_by_taskE_token_type', action=argparse.BooleanOptionalAction, default=False, help='Task E only: cluster by the taskE token type (dir vs label) instead of --cluster_by. Overrides --cluster_by when set.') # --- Task I additions --- parser.add_argument('--cluster_by_legal_next', action=argparse.BooleanOptionalAction, default=False, help='Task I only: cluster by the set of legal next steps expressed as open fixed-scan ' 'slot indices (0=N,1=E,2=S,3=W), e.g. "0,2,3". Overrides --cluster_by when set.') # --- Visualization --- parser.add_argument('--vis_num_nodes', type=int, default=0, help='When clustering by node, randomly show at most this many node classes with distinct colors. ' 'Set to 0 or negative to show all nodes (continuous colormap).') parser.add_argument('--pca_full_data', action='store_true', default=True, help='When clustering by node and using --vis_num_nodes > 0, perform PCA on all samples (not just the subset) ' 'and then display only the subset. This preserves the global PCA structure.') return parser.parse_args() def load_lines(path): if not os.path.exists(path): return [] try: with open(path, 'r', encoding='gbk') as f: return [line.strip() for line in f if line.strip()] except: with open(path, 'r', encoding='utf-8') as f: return [line.strip() for line in f if line.strip()] def get_legal_dirs(G, node, grid_n): legal = [] for nb_str in G.neighbors(str(node)): nb = int(nb_str) if nb == node - grid_n: legal.append('N') elif nb == node + grid_n: legal.append('S') elif nb == node + 1: legal.append('E') elif nb == node - 1: legal.append('W') return sorted(legal) def extract_data_for_clustering(lines, stoi, max_samples, no_task_tag, grid_n, num_nodes, maze_graph, probe_tasks, taskE_probe_type, cluster_by): labels_chars = {'a', 'b', 'c', 'd', 'e', 'f', 'g', 'h', 'i', 'j'} turn_chars = {'L', 'R', 'F', 'T'} data = [] lines = list(lines) random.shuffle(lines) for line in lines: if len(data) >= max_samples: break parts = line.split() if ':' not in parts: continue colon_idx = parts.index(':') if no_task_tag: action_tokens = parts[colon_idx + 1:] if any(c in turn_chars for c in action_tokens): line_task = 'C' elif len(parts) > colon_idx + 2 and parts[colon_idx + 2] in labels_chars: line_task = 'E' else: line_task = 'A' try: source = int(parts[0]) except: continue else: line_task = parts[0] if line_task not in ['A', 'E', 'C', 'H', 'I']: continue try: source = int(parts[1]) except: continue if line_task != probe_tasks: continue actions = parts[colon_idx + 1:] if not actions: continue try: token_ids = [stoi[t] for t in parts] except KeyError: continue curr = source if probe_tasks == 'A': for i, move in enumerate(actions): if move == 'N': curr -= grid_n elif move == 'S': curr += grid_n elif move == 'E': curr += 1 elif move == 'W': curr -= 1 if not (0 <= curr < num_nodes): break legal = get_legal_dirs(maze_graph, curr, grid_n) wall_type = ','.join(legal) prefix_ids = token_ids[:colon_idx + 2 + i] data.append({ 'ids': torch.tensor(prefix_ids, dtype=torch.long), 'node': curr, 'wall_type': wall_type, 'current_token': move }) if len(data) >= max_samples: break elif probe_tasks == 'C': # Task C:相对转向,起始朝东 (E),每个 action 先转向再前进一步 left_of = {'N': 'W', 'W': 'S', 'S': 'E', 'E': 'N'} right_of = {v: k for k, v in left_of.items()} opposite_of = {'N': 'S', 'S': 'N', 'E': 'W', 'W': 'E'} delta = {'N': -grid_n, 'S': grid_n, 'E': 1, 'W': -1} orientation = 'E' for i, action in enumerate(actions): if action not in turn_chars: break if action == 'F': next_orientation = orientation elif action == 'L': next_orientation = left_of[orientation] elif action == 'R': next_orientation = right_of[orientation] else: # 'T' next_orientation = opposite_of[orientation] next_node = curr + delta[next_orientation] if not (0 <= next_node < num_nodes): break orientation = next_orientation curr = next_node legal = get_legal_dirs(maze_graph, curr, grid_n) # 同时记录绝对方向和相对方向的 wall_type abs_wall_type = ','.join(legal) abs_to_rel = { orientation: 'F', left_of[orientation]: 'L', right_of[orientation]: 'R', opposite_of[orientation]: 'T', } rel_legal = sorted({abs_to_rel[d] for d in legal}) rel_wall_type_str = ','.join(rel_legal) prefix_ids = token_ids[:colon_idx + 2 + i] data.append({ 'ids': torch.tensor(prefix_ids, dtype=torch.long), 'node': curr, 'wall_type': abs_wall_type, 'rel_wall_type': rel_wall_type_str, 'orientation': orientation, 'current_token': action }) if len(data) >= max_samples: break elif probe_tasks == 'E': for i in range(0, len(actions), 2): direction = actions[i] if i + 1 >= len(actions): break target_lab = actions[i + 1] step_count = 0 temp_curr = curr found = False while True: if direction == 'N': temp_curr -= grid_n elif direction == 'S': temp_curr += grid_n elif direction == 'E': temp_curr += 1 elif direction == 'W': temp_curr -= 1 if not (0 <= temp_curr < num_nodes): break step_count += 1 if step_count > num_nodes + 5: break if maze_graph.nodes[str(temp_curr)]['label'] == target_lab: curr = temp_curr found = True break if not found: break legal = get_legal_dirs(maze_graph, curr, grid_n) wall_type = ','.join(legal) if cluster_by == 'taskE_token_type': # Extract BOTH 'dir' and 'label' positions prefix_ids_dir = token_ids[:colon_idx + 2 + i] data.append({ 'ids': torch.tensor(prefix_ids_dir, dtype=torch.long), 'node': curr, 'wall_type': wall_type, 'taskE_token_type': 'dir', 'current_token': direction }) prefix_ids_lab = token_ids[:colon_idx + 3 + i] data.append({ 'ids': torch.tensor(prefix_ids_lab, dtype=torch.long), 'node': curr, 'wall_type': wall_type, 'taskE_token_type': 'label', 'current_token': target_lab }) else: # Extract only the specified one if taskE_probe_type == 'dir': prefix_ids = token_ids[:colon_idx + 2 + i] cur_tok = direction else: prefix_ids = token_ids[:colon_idx + 3 + i] cur_tok = target_lab if len(data) >= max_samples: break elif probe_tasks in ('H', 'I'): # Index-token tasks: replay (node[, facing]) state from 1-based scan indices. # Task H: clockwise scan starting from current facing (state = node + facing). # Task I: fixed North->E->S->W scan, no facing tracking (state = node only). CLOCKWISE_SCAN = { 'N': ['N', 'E', 'S', 'W'], 'E': ['E', 'S', 'W', 'N'], 'S': ['S', 'W', 'N', 'E'], 'W': ['W', 'N', 'E', 'S'], } FIXED_SCAN = ['N', 'E', 'S', 'W'] delta = {'N': -grid_n, 'S': grid_n, 'E': 1, 'W': -1} facing = 'E' # Task H starts facing East; unused for Task I for i, idx_tok in enumerate(actions): try: choice = int(idx_tok) except ValueError: break scan_order = CLOCKWISE_SCAN[facing] if probe_tasks == 'H' else FIXED_SCAN feasible = [] for d in scan_order: nb = curr + delta[d] if 0 <= nb < num_nodes and maze_graph.has_edge(str(curr), str(nb)): feasible.append(d) if not (1 <= choice <= len(feasible)): break move = feasible[choice - 1] curr = curr + delta[move] if probe_tasks == 'H': facing = move legal = get_legal_dirs(maze_graph, curr, grid_n) wall_type = ','.join(legal) prefix_ids = token_ids[:colon_idx + 2 + i] item = { 'ids': torch.tensor(prefix_ids, dtype=torch.long), 'node': curr, 'wall_type': wall_type, 'current_token': idx_tok, } if probe_tasks == 'H': item['orientation'] = facing if probe_tasks == 'I': # Legal next steps as open fixed-scan slot indices (0=N,1=E,2=S,3=W), # matching the index tokens the model emits for Task I. legal_set = set(legal) item['legal_next'] = ','.join(str(j) for j, d in enumerate(FIXED_SCAN) if d in legal_set) data.append(item) if len(data) >= max_samples: break return data[:max_samples] activations = {} def get_layer_hook(layer_idx): def hook(model, input, output): activations[layer_idx] = output.detach() return hook def get_block_list(model): """Per-layer block ModuleList (transformer: .transformer.h, recurrent: .layers).""" if hasattr(model, 'transformer'): return model.transformer.h return model.layers def get_final_norm(model): """Final pre-head norm (transformer: .transformer.ln_f, recurrent: .out_norm).""" if hasattr(model, 'transformer') and hasattr(model.transformer, 'ln_f'): return model.transformer.ln_f return model.out_norm def get_lm_head(model): """Output projection head. Most models expose .lm_head; TransformerNextLat wraps the backbone, so its head lives at .gpt.lm_head.""" if hasattr(model, 'lm_head'): return model.lm_head if hasattr(model, 'gpt') and hasattr(model.gpt, 'lm_head'): return model.gpt.lm_head raise AttributeError(f"{type(model).__name__} has no lm_head") def build_model_from_checkpoint(checkpoint, model_type, local=False): """Reconstruct the right architecture from a checkpoint, honoring its stored model_type.""" ckpt_model_type = checkpoint.get('model_type', model_type) margs = checkpoint['model_args'] if ckpt_model_type == 'mamba': if local and 'use_cuda' in margs: margs['use_cuda'] = False # fall back to pure-PyTorch parallel scan conf = MambaConfig(**margs); model = Mamba(conf) elif ckpt_model_type == 'mamba2': if local and 'use_cuda' in margs: margs['use_cuda'] = False # fall back to pure-PyTorch chunked SSD conf = Mamba2Config(**margs); model = Mamba2(conf) elif ckpt_model_type == 'gated-deltanet': conf = GatedDeltaNetConfig(**margs); model = GatedDeltaNet(conf) elif ckpt_model_type == 'gru': conf = GRUConfig(**margs); model = GRU(conf) elif ckpt_model_type == 'transformer-nextlat': if local and 'use_flash' in margs: margs['use_flash'] = False conf = TransformerNextLatConfig(**margs); model = TransformerNextLat(conf) elif ckpt_model_type == 'transformer-rope': conf = GPTRoPEConfig(**margs) if local: conf.use_flash = False model = GPTRoPE(conf) else: conf = GPTConfig(**margs) if local: conf.use_flash = False model = GPT(conf) model.load_state_dict({k.replace('_orig_mod.', ''): v for k, v in checkpoint['model'].items()}) return model, conf def normalize_features(feats): norms = np.linalg.norm(feats, axis=1, keepdims=True) norms[norms == 0] = 1e-12 return feats / norms def compute_intra_inter_distances(feats, labels, unique_labels): centroids = {} for lab in unique_labels: mask = (labels == lab) if np.sum(mask) == 0: continue centroids[lab] = np.mean(feats[mask], axis=0) centroids[lab] = centroids[lab] / (np.linalg.norm(centroids[lab]) + 1e-12) intra_dists = [] for lab in unique_labels: mask = (labels == lab) if np.sum(mask) == 0: continue centroid = centroids[lab] sim = np.dot(feats[mask], centroid) dists = 1 - sim intra_dists.append(np.mean(dists)) intra_avg = np.mean(intra_dists) if intra_dists else 0.0 inter_dists = [] centroids_list = list(centroids.values()) for i in range(len(centroids_list)): for j in range(i + 1, len(centroids_list)): sim = np.dot(centroids_list[i], centroids_list[j]) dist = 1 - sim inter_dists.append(dist) inter_avg = np.mean(inter_dists) if inter_dists else 0.0 return intra_avg, inter_avg def main(): args = parse_args() # 解析任务专用的 cluster_by 覆盖选项 overrides_set = sum([args.cluster_by_orientation, args.cluster_by_taskE_token_type, args.rel_wall_type, args.cluster_by_legal_next]) if overrides_set > 1: print("[Warning] --cluster_by_orientation / --cluster_by_taskE_token_type / --rel_wall_type / " "--cluster_by_legal_next are mutually exclusive; " "preferring --cluster_by_orientation > --rel_wall_type > --cluster_by_legal_next > --cluster_by_taskE_token_type.") if args.cluster_by_orientation: args.rel_wall_type = False args.cluster_by_legal_next = False args.cluster_by_taskE_token_type = False elif args.rel_wall_type: args.cluster_by_legal_next = False args.cluster_by_taskE_token_type = False elif args.cluster_by_legal_next: args.cluster_by_taskE_token_type = False if args.cluster_by_orientation: args.cluster_by = 'orientation' elif args.rel_wall_type: args.cluster_by = 'rel_wall_type' elif args.cluster_by_legal_next: args.cluster_by = 'legal_next' elif args.cluster_by_taskE_token_type: args.cluster_by = 'taskE_token_type' # 强制修正:如果是 taskE_token_type,则必须提取 Task E if args.cluster_by == 'taskE_token_type': args.probe_tasks = 'E' # 'rel_wall_type' 仅对 Task C 有意义;'orientation' 对 Task C / H 有意义 if args.cluster_by == 'rel_wall_type' and args.probe_tasks != 'C': print(f"[Warning] cluster_by='rel_wall_type' is only meaningful for Task C; forcing probe_tasks='C'.") args.probe_tasks = 'C' elif args.cluster_by == 'orientation' and args.probe_tasks not in ('C', 'H'): print(f"[Warning] cluster_by='orientation' is only meaningful for Task C/H; forcing probe_tasks='C'.") args.probe_tasks = 'C' elif args.cluster_by == 'legal_next' and args.probe_tasks != 'I': print(f"[Warning] cluster_by='legal_next' is only meaningful for Task I; forcing probe_tasks='I'.") args.probe_tasks = 'I' seed = 44 torch.manual_seed(seed) np.random.seed(seed) random.seed(seed) grid_n = int(args.num_nodes ** 0.5) tasks_tag = f"{args.tasks}_CL" if args.CL else args.tasks tasks_tag = f"{tasks_tag}_{args.path_type}" if args.no_task_tag: tasks_tag += "_NT" # NLS only affects checkpoint naming (per train_maze.py) ckpt_tasks_tag = tasks_tag if args.model == 'transformer-nextlat': ckpt_tasks_tag = f"{ckpt_tasks_tag}_NL" if args.NLS: ckpt_tasks_tag = f"{ckpt_tasks_tag}_NLS" data_dir = f'data/maze/{args.num_nodes}' nt_suffix = '_NT' if args.no_task_tag else '' model_dir = args.model.replace('-', '_') out_dir = f'out/{model_dir}/maze_{args.config}_{args.num_nodes}{nt_suffix}/' os.makedirs(out_dir, exist_ok=True) def pick_file(candidates): for path in candidates: if os.path.exists(path): return path return candidates[0] maze_graph_path = pick_file([f'{data_dir}/maze_graph_{tasks_tag}.graphml', f'{data_dir}/maze_graph.graphml']) print(f"Loading Graph from: {maze_graph_path}") maze_graph = nx.read_graphml(maze_graph_path) meta = pickle.load(open(pick_file([f'{data_dir}/meta_{tasks_tag}.pkl', f'{data_dir}/meta.pkl']), 'rb')) stoi, itos = meta['stoi'], meta['itos'] train_label = format_count(args.num_train_dataset) ckpt_path = pick_file([os.path.join(out_dir, f'{args.ckpt_iter}_ckpt_maze_{ckpt_tasks_tag}_{train_label}.pt'), os.path.join(out_dir, f'{args.ckpt_iter}_ckpt_maze_{tasks_tag}_{train_label}.pt'), os.path.join(out_dir, f'{args.ckpt_iter}_ckpt_maze_{args.num_of_paths}.pt')]) print(f"Loading Model from: {ckpt_path}") checkpoint = torch.load(ckpt_path, map_location=args.device, weights_only=False) model, conf = build_model_from_checkpoint(checkpoint, args.model, local=args.local) model.to(args.device).eval() for p in model.parameters(): p.requires_grad = False block_list = get_block_list(model) for i in range(conf.n_layer): block_list[i].register_forward_hook(get_layer_hook(i)) train_txt = pick_file([os.path.join(data_dir, f"train_{tasks_tag}_{train_label}.txt"), os.path.join(data_dir, f'train_{args.num_of_paths}.txt')]) print(f"Extracting samples for clustering...") dataset = extract_data_for_clustering(load_lines(train_txt), stoi, args.num_samples, args.no_task_tag, grid_n, args.num_nodes, maze_graph, args.probe_tasks, args.taskE_probe_type, args.cluster_by) print(f"Extracted {len(dataset)} samples.") print("\n" + "=" * 60) print(f"SAMPLE DATA EXAMPLES (Cluster by: {args.cluster_by})") print("=" * 60) for i in range(min(5, len(dataset))): item = dataset[i] ids = item['ids'].tolist() tokens = [itos[idx] for idx in ids] prefix_str = " ".join(tokens) label_val = item.get(args.cluster_by, "N/A (needs model inference)") if args.cluster_by != 'predicted_token' else "N/A (needs model inference)" print(f"Example {i + 1}:") print(f" Current Node : {item['node']}") print(f" Wall Type : {item['wall_type']}") print(f" Selected Label: {label_val}") print(f" Prefix : {prefix_str}") print("-" * 60) all_feats = {i: [] for i in range(conf.n_layer + 1)} cluster_labels = [] all_wall_types = [] # 记录每个样本的墙壁类型(用于节点模式图例标注) for b_start in tqdm(range(0, len(dataset), args.batch_size), desc="Inference"): batch = dataset[b_start:b_start + args.batch_size] x_padded = pad_sequence([item['ids'] for item in batch], batch_first=True, padding_value=0).to(args.device) seq_lengths = [len(item['ids']) for item in batch] current_batch_size = len(batch) with torch.no_grad(): _ = model(x_padded) batch_indices = torch.arange(current_batch_size, device=args.device) last_token_idx = torch.tensor(seq_lengths, device=args.device) - 1 h_final = activations[conf.n_layer - 1] if h_final.shape[0] != current_batch_size and h_final.shape[1] == current_batch_size: h_final = h_final.transpose(0, 1) h_last = h_final[batch_indices, last_token_idx, :] h_norm = get_final_norm(model)(h_last) logits = get_lm_head(model)(h_norm) if args.cluster_by == 'predicted_token': pred_ids = torch.argmax(logits, dim=-1).cpu().numpy() batch_labels = [itos[idx] for idx in pred_ids] cluster_labels.extend(batch_labels) # 填充 all_wall_types,保持长度一致 for item in batch: all_wall_types.append(item['wall_type']) for l in range(conf.n_layer): h = activations[l] if h.shape[0] != current_batch_size and h.shape[1] == current_batch_size: h = h.transpose(0, 1) h_last_layer = h[batch_indices, last_token_idx, :].cpu().numpy() all_feats[l].extend(h_last_layer) h_norm_np = h_norm.cpu().numpy() all_feats[conf.n_layer].extend(h_norm_np) if args.cluster_by != 'predicted_token': for item in batch: if args.cluster_by == 'node': cluster_labels.append(str(item['node'])) elif args.cluster_by == 'wall_type': cluster_labels.append(item['wall_type']) elif args.cluster_by == 'taskE_token_type': cluster_labels.append(item['taskE_token_type']) elif args.cluster_by == 'orientation': cluster_labels.append(item['orientation']) elif args.cluster_by == 'rel_wall_type': cluster_labels.append(item['rel_wall_type']) elif args.cluster_by == 'legal_next': cluster_labels.append(item['legal_next']) elif args.cluster_by == 'current_token': cluster_labels.append(item['current_token']) # 无论哪种模式,只要后续需要显示墙壁类型(仅用于 node 模式),都记录 wall_type all_wall_types.append(item['wall_type']) cluster_labels = np.array(cluster_labels) all_wall_types = np.array(all_wall_types) unique, counts = np.unique(cluster_labels, return_counts=True) valid_classes = [u for u, c in zip(unique, counts) if c >= args.min_samples_per_class] print(f"Retained {len(valid_classes)} classes with >= {args.min_samples_per_class} samples.") if len(valid_classes) < 2: print("Not enough classes for inter-class distance. Exiting.") return mask = np.isin(cluster_labels, valid_classes) filtered_labels = cluster_labels[mask] # 仅在 node 模式下才需要墙壁类型信息(用于图例标注) if args.cluster_by == 'node': filtered_wall_types = all_wall_types[mask] else: filtered_wall_types = None # 其他模式下不使用 print(f"Total samples after filtering: {np.sum(mask)}") intra_distances = [] inter_distances = [] for l in range(conf.n_layer + 1): feats = np.array(all_feats[l])[mask] feats_norm = normalize_features(feats) intra, inter = compute_intra_inter_distances(feats_norm, filtered_labels, valid_classes) intra_distances.append(intra) inter_distances.append(inter) print("\n" + "=" * 60) print(f"CLUSTERING BY {args.cluster_by.upper()} (cosine distance)") print("=" * 60) print(f"{'Layer':<6} | {'Intra-class Dist':<18} | {'Inter-class Dist':<18}") print("-" * 60) for l, (intra, inter) in enumerate(zip(intra_distances, inter_distances)): layer_name = f"L_{l + 1}" if l < conf.n_layer else "L_Norm" print(f"{layer_name:<6} | {intra:>16.4f} | {inter:>16.4f}") print("=" * 60) if args.cluster_by == 'taskE_token_type': task_suffix = f"{args.probe_tasks}_both" elif args.probe_tasks == 'E': task_suffix = f"{args.probe_tasks}{args.taskE_probe_type}" else: task_suffix = f"{args.probe_tasks}" # cluster_by 直接作为文件名后缀('rel_wall_type' / 'orientation' / 'taskE_token_type' 等都是覆盖后的值) cluster_by_suffix = args.cluster_by nls_suffix = '_NLS' if args.NLS else '' out_txt = os.path.join(out_dir, f"clustering_{task_suffix}_{cluster_by_suffix}_{args.ckpt_iter}{nls_suffix}.txt") with open(out_txt, 'w') as f: f.write(f"CLUSTERING BY {args.cluster_by.upper()} (cosine distance)\n") f.write("=" * 60 + "\n") f.write(f"{'Layer':<6} | {'Intra-class Dist':<18} | {'Inter-class Dist':<18}\n") f.write("-" * 60 + "\n") for l, (intra, inter) in enumerate(zip(intra_distances, inter_distances)): layer_name = f"L_{l + 1}" if l < conf.n_layer else "L_Norm" f.write(f"{layer_name:<6} | {intra:>16.4f} | {inter:>16.4f}\n") print(f"Results saved to {out_txt}") print("\nGenerating 2D visualization using PCA...") n_layers = conf.n_layer + 1 cols = min(3, n_layers) rows = (n_layers + cols - 1) // cols fig, axes = plt.subplots(rows, cols, figsize=(6 * cols, 5 * rows)) if n_layers == 1: axes = [axes] else: axes = axes.flatten() # Decide how to visualize node classes is_node_mode = (args.cluster_by == 'node') use_random_nodes = False selected_nodes = None node_mask_for_vis = None node_to_wall_types = None # 节点ID -> 墙壁类型集合 if is_node_mode and args.vis_num_nodes > 0: unique_nodes = np.unique(filtered_labels) if len(unique_nodes) > args.vis_num_nodes: # Randomly select a subset of nodes for visualization rng = np.random.RandomState(seed) selected_nodes = rng.choice(unique_nodes, size=args.vis_num_nodes, replace=False) use_random_nodes = True node_mask_for_vis = np.isin(filtered_labels, selected_nodes) print(f"Randomly selected {args.vis_num_nodes} nodes out of {len(unique_nodes)} for visualization: {sorted(selected_nodes)}") # 预计算每个选中节点的墙壁类型集合 node_to_wall_types = {} for node in selected_nodes: node_mask = (filtered_labels == node) wall_types_for_node = filtered_wall_types[node_mask] unique_wall_types = sorted(set(wall_types_for_node)) node_to_wall_types[node] = unique_wall_types else: print(f"Total unique nodes ({len(unique_nodes)}) <= vis_num_nodes, showing all nodes.") elif is_node_mode: print("Showing all nodes (continuous colormap).") # 用于存储全局图例的句柄和标签 legend_handles = [] legend_labels = [] for l in range(n_layers): ax = axes[l] # 获取该层所有样本的特征(已通过 mask 过滤) feats_all = np.array(all_feats[l])[mask] # shape (N, D) if use_random_nodes and args.pca_full_data: # 情况:使用全部样本进行 PCA 拟合,然后只绘制选中节点的投影点 # 可选子采样以提高速度(仅用于拟合,不影响投影) if feats_all.shape[0] > 2000: # 随机采样 2000 个点用于拟合 PCA idx_sample = np.random.choice(feats_all.shape[0], 2000, replace=False) pca = PCA(n_components=2) pca.fit(feats_all[idx_sample]) else: pca = PCA(n_components=2) pca.fit(feats_all) # 对所有样本进行投影 feats_2d_all = pca.transform(feats_all) # shape (N, 2) # 提取选中节点的投影结果 feats_vis = feats_2d_all[node_mask_for_vis] labels_vis = filtered_labels[node_mask_for_vis] if is_node_mode: wall_types_vis = filtered_wall_types[node_mask_for_vis] else: wall_types_vis = None else: # 原有逻辑:仅使用用于绘制的样本进行 PCA(可能是全部样本,也可能是子集) if use_random_nodes: # 只使用选中节点的特征 feats_vis_subset = feats_all[node_mask_for_vis] labels_vis = filtered_labels[node_mask_for_vis] if is_node_mode: wall_types_vis = filtered_wall_types[node_mask_for_vis] else: wall_types_vis = None else: # 使用全部有效样本 feats_vis_subset = feats_all labels_vis = filtered_labels if is_node_mode: wall_types_vis = filtered_wall_types else: wall_types_vis = None # 可选子采样 if feats_vis_subset.shape[0] > 2000: idx = np.random.choice(feats_vis_subset.shape[0], 2000, replace=False) feats_vis_subset = feats_vis_subset[idx] labels_vis = labels_vis[idx] if is_node_mode and wall_types_vis is not None: wall_types_vis = wall_types_vis[idx] pca = PCA(n_components=2) feats_2d = pca.fit_transform(feats_vis_subset) feats_vis = feats_2d # 此时 feats_vis 就是投影后的坐标 # 绘图部分,根据 is_node_mode 和 use_random_nodes 选择颜色映射和标记 if is_node_mode: if use_random_nodes: # 为每个选中的节点分配固定颜色 unique_selected = np.unique(labels_vis) # 如果全局图例尚未生成,则创建颜色映射 if not legend_handles: cmap = plt.cm.tab20 color_map = {} for i, node in enumerate(unique_selected): color_map[node] = cmap(i % 20) # 为每个节点生成图例句柄和标签 for node in unique_selected: wall_types_str = ','.join(node_to_wall_types[node]) if node in node_to_wall_types else '' label_text = f"{node} ({wall_types_str})" if wall_types_str else str(node) handle = plt.Line2D([0], [0], marker='o', color='w', markerfacecolor=color_map[node], markersize=8, label=label_text) legend_handles.append(handle) legend_labels.append(label_text) else: # 复用颜色映射(但需要从已存储的 handle 中获取颜色) # 简单起见,重新生成 color_map(因为 unique_selected 顺序可能一致) cmap = plt.cm.tab20 color_map = {} for i, node in enumerate(unique_selected): color_map[node] = cmap(i % 20) # 绘制每个节点 for node in unique_selected: node_mask_plot = (labels_vis == node) ax.scatter(feats_vis[node_mask_plot, 0], feats_vis[node_mask_plot, 1], c=[color_map[node]], s=10, alpha=0.7) else: # 连续色图:不添加图例,只绘制 int_labels_vis = np.array([int(lab) for lab in labels_vis]) sc = ax.scatter(feats_vis[:, 0], feats_vis[:, 1], c=int_labels_vis, cmap='viridis', s=10, alpha=0.7) else: # 其他聚类模式:为每个有效类别分配固定颜色 if not legend_handles: colors = plt.cm.tab20(np.linspace(0, 1, len(valid_classes))) for i, cls_type in enumerate(valid_classes): handle = plt.Line2D([0], [0], marker='o', color='w', markerfacecolor=colors[i], markersize=8, label=cls_type) legend_handles.append(handle) legend_labels.append(cls_type) else: # 复用颜色 colors = [h.get_markerfacecolor() for h in legend_handles] # 绘制每个类别 for i, cls_type in enumerate(valid_classes): type_mask = (labels_vis == cls_type) if np.sum(type_mask) > 0: ax.scatter(feats_vis[type_mask, 0], feats_vis[type_mask, 1], c=[colors[i]], s=10, alpha=0.7) title = f'Layer {l + 1}' if l < conf.n_layer else 'Layer Final (Norm)' ax.set_title(title) ax.set_xlabel('Principal Component 1') ax.set_ylabel('Principal Component 2') ax.grid(True, linestyle='--', alpha=0.3) # 删除多余的子图 for i in range(n_layers, len(axes)): fig.delaxes(axes[i]) # 添加全局图例(如果需要) if legend_handles: fig.legend(handles=legend_handles, labels=legend_labels, loc='lower right', fontsize='small', title=('Node ID (wall types)' if is_node_mode and use_random_nodes else args.cluster_by), bbox_to_anchor=(0.98, 0.02)) # 右下角位置 elif is_node_mode and not use_random_nodes and 'sc' in locals(): # 连续色图模式添加 colorbar active_axes = axes[:n_layers] fig.colorbar(sc, ax=active_axes, orientation='vertical', fraction=0.02, pad=0.04, label='Node ID') out_png = os.path.join(out_dir, f"clustering_{task_suffix}_{cluster_by_suffix}_{args.ckpt_iter}{nls_suffix}.png") plt.savefig(out_png, dpi=300, bbox_inches='tight') plt.close() print(f"Plot saved to {out_png}") if __name__ == "__main__": main()