import os import argparse import pickle import torch import numpy as np import random import networkx as nx import matplotlib.pyplot as plt import math from tqdm import tqdm from torch.nn.utils.rnn import pad_sequence from sklearn.decomposition import PCA from sklearn.metrics.pairwise import cosine_similarity # Import project modules from model.transformer import GPTConfig, GPT from cli_utils import parse_count, format_count def parse_args(): parser = argparse.ArgumentParser( description='Visualize hidden states for multiple tasks clustered by current node using PCA.') # --- Model & Data Configuration --- parser.add_argument('--ckpt_iter', type=int, default=10000) parser.add_argument('--config', type=str, default='6_6_384') 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="5M") parser.add_argument('--tasks', type=str, default='A1C1', help='Tasks to visualize (e.g., A1E1, A1C1, A1B1, etc.). Format: Task1[1-9]Task2[1-9]...') 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='store_true', default=False) # --- Visualization Specific --- parser.add_argument('--vis_samples', type=int, default=50000, help='Number of prefix sequences to extract and process.') parser.add_argument('--batch_size', type=int, default=100) parser.add_argument('--num_plot_nodes', type=int, default=10, help='Number of distinct nodes to color and plot (to avoid visual clutter).') 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 extract_taskA_prefixes(lines, stoi, max_samples, no_task_tag, grid_n, num_nodes): """ 专门提取 Task A 的数据,并穷举路径上的每一步。 返回列表,每个元素为: {'ids': tensor, 'node': current_node, 'task': 'A'} """ labels_chars = {'a', 'b', 'c', 'd', 'e', 'f', 'g', 'h', 'i', 'j'} data = [] # 随机打乱以保证采样均匀 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(':') # 识别并过滤只留 Task A if no_task_tag: # 如果没有 task tag,Task E 会包含字母,Task C 会包含 L/R/F/T is_task_A = not any(c in labels_chars or c in {'L', 'R', 'F', 'T'} for c in parts) if not is_task_A: continue try: source = int(parts[0]) except: continue else: if parts[0] != 'A': continue try: source = int(parts[1]) except: continue actions = parts[colon_idx + 1:] if not actions: continue try: token_ids = [stoi[t] for t in parts] except KeyError: continue curr = source # 沿着路径走,每走一步截断一次,作为一条独立的样本 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 prefix_ids = token_ids[:colon_idx + 2 + i] data.append({'ids': torch.tensor(prefix_ids, dtype=torch.long), 'node': curr, 'task': 'A'}) if len(data) >= max_samples: break return data def extract_taskE_prefixes(lines, stoi, max_samples, no_task_tag, grid_n, num_nodes): """ 专门提取 Task E 的数据,并穷举路径上的每一对 (dir, label)。 返回列表,每个元素为: {'ids': tensor, 'node': current_node, 'task': 'E'} """ labels_chars = {'a', 'b', 'c', 'd', 'e', 'f', 'g', 'h', 'i', 'j'} 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(':') # 识别并过滤只留 Task E if no_task_tag: # 如果没有 task tag,Task E 会包含字母(label) is_task_E = any(c in labels_chars for c in parts[colon_idx + 1:]) if not is_task_E: continue try: source = int(parts[0]) target = int(parts[1]) except: continue else: if parts[0] != 'E': continue try: source = int(parts[1]) target = int(parts[2]) except: continue actions = parts[colon_idx + 1:] # (dir, label, dir, label, ...) if len(actions) < 2: continue # 至少需要一个 (dir, label) 对 try: token_ids = [stoi[t] for t in parts] except KeyError: continue # Task E 的 actions 是 (dir, label) 交替,每步走一对 curr = source dirs_map = {'N': -grid_n, 'S': grid_n, 'E': 1, 'W': -1} for step in range(0, len(actions), 2): if step >= len(actions) - 1: break # 需要完整的 (dir, label) 对 direction = actions[step] label = actions[step + 1] if direction not in dirs_map or label not in labels_chars: break curr += dirs_map[direction] if not (0 <= curr < num_nodes): break # 截断到这一对(包括 dir 和 label) prefix_ids = token_ids[:colon_idx + 2 + step + 2] # +2 for dir and label data.append({'ids': torch.tensor(prefix_ids, dtype=torch.long), 'node': curr, 'task': 'E'}) if len(data) >= max_samples: break return data def extract_taskC_prefixes(lines, stoi, max_samples, no_task_tag, grid_n, num_nodes): """ 专门提取 Task C 的数据,并穷举路径上的每一个相对转向操作。 Task C:起始方向东方(E),每个操作(L/R/F/T)既转向又移动一步。 返回列表,每个元素为: {'ids': tensor, 'node': current_node, 'task': 'C'} """ data = [] lines = list(lines) random.shuffle(lines) # 方向映射 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} for line in lines: if len(data) >= max_samples: break parts = line.split() if ':' not in parts: continue colon_idx = parts.index(':') # 识别并过滤只留 Task C if no_task_tag: # 如果没有 task tag,Task C 会包含 L/R/F/T actions_part = parts[colon_idx + 1:] is_task_C = any(c in {'L', 'R', 'F', 'T'} for c in actions_part) if not is_task_C: continue try: source = int(parts[0]) target = int(parts[1]) except: continue else: if parts[0] != 'C': continue try: source = int(parts[1]) target = int(parts[2]) except: continue actions = parts[colon_idx + 1:] if not actions: continue try: token_ids = [stoi[t] for t in parts] except KeyError: continue # Task C:起始在source,方向东方 curr = source orientation = 'E' # 沿着路径走,每走一步截断一次 for i, action in enumerate(actions): if action not in {'L', 'R', 'F', 'T'}: break # 计算下一个方向 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] # 沿着下一个方向移动 next_node = curr + delta[next_orientation] if not (0 <= next_node < num_nodes): break orientation = next_orientation curr = next_node # 截断到这一步操作 prefix_ids = token_ids[:colon_idx + 2 + i] data.append({'ids': torch.tensor(prefix_ids, dtype=torch.long), 'node': curr, 'task': 'C'}) if len(data) >= max_samples: break return data activations = {} def get_layer_hook(layer_idx): def hook(model, input, output): activations[layer_idx] = output.detach() return hook def main(): args = parse_args() seed = 42 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" data_dir = f'data/maze/{args.num_nodes}' nt_suffix = '_NT' if args.no_task_tag else '' out_dir = f'out/transformer/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] # --- 读取 Meta --- 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'] # --- 读取 Model --- train_label = format_count(args.num_train_dataset) ckpt_path = pick_file([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) conf = GPTConfig(**checkpoint['model_args']) if args.local: conf.use_flash = False model = GPT(conf) model.load_state_dict({k.replace('_orig_mod.', ''): v for k, v in checkpoint['model'].items()}) model.to(args.device).eval() for p in model.parameters(): p.requires_grad = False # 注册 Hook 获取每一层输出 for i in range(conf.n_layer): model.transformer.h[i].register_forward_hook(get_layer_hook(i)) # 注册 Hook 获取最终层归一化的输出 model.transformer.ln_f.register_forward_hook(get_layer_hook('ln_f')) # --- 准备数据 --- 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')]) # 解析任务参数,确定要提取哪些任务 # 支持格式:A1E1、A1C1、A1、E1、C1等 tasks_to_extract = [] task_str = args.tasks i = 0 while i < len(task_str): if task_str[i].isalpha(): task_type = task_str[i] if i + 1 < len(task_str) and task_str[i+1].isdigit(): task_num = int(task_str[i+1]) tasks_to_extract.append((task_type, task_num)) i += 2 else: i += 1 else: i += 1 print(f"Extracting tasks from: {train_txt}") print(f"Tasks to extract: {tasks_to_extract}") dataset = [] dataset_counts = {} lines = load_lines(train_txt) samples_per_task = args.vis_samples // len(tasks_to_extract) if tasks_to_extract else 0 for task_type, task_num in tasks_to_extract: if task_type == 'A': dataset_A = extract_taskA_prefixes(lines, stoi, samples_per_task, args.no_task_tag, grid_n, args.num_nodes) dataset.extend(dataset_A) dataset_counts['A'] = len(dataset_A) print(f"Successfully extracted {len(dataset_A)} Task A samples.") elif task_type == 'E': dataset_E = extract_taskE_prefixes(lines, stoi, samples_per_task, args.no_task_tag, grid_n, args.num_nodes) dataset.extend(dataset_E) dataset_counts['E'] = len(dataset_E) print(f"Successfully extracted {len(dataset_E)} Task E samples.") elif task_type == 'C': dataset_C = extract_taskC_prefixes(lines, stoi, samples_per_task, args.no_task_tag, grid_n, args.num_nodes) dataset.extend(dataset_C) dataset_counts['C'] = len(dataset_C) print(f"Successfully extracted {len(dataset_C)} Task C samples.") random.shuffle(dataset) print(f"Total: {len(dataset)} prefix samples.\n") # --- 执行推理,收集隐藏状态 --- all_feats = {i: [] for i in range(conf.n_layer)} all_feats['ln_f'] = [] # For final LayerNorm output node_labels = [] task_labels = [] # Track which task (A or E) each sample belongs to for i in tqdm(range(0, len(dataset), args.batch_size), desc="Running Inference"): batch = dataset[i: i + args.batch_size] # Pad sequence x_padded = pad_sequence([item['ids'] for item in batch], batch_first=True, padding_value=0).to(args.device) with torch.no_grad(): model(x_padded) for lk in all_feats.keys(): if lk not in activations: continue out = activations[lk] for j, item in enumerate(batch): # 提取序列最后一个 token (即刚才走的最后一步) 的隐状态 all_feats[lk].append(out[j, len(item['ids']) - 1, :].cpu().numpy()) for item in batch: node_labels.append(item['node']) task_labels.append(item['task']) node_labels = np.array(node_labels) task_labels = np.array(task_labels) # --- 筛选着色节点 (Target Nodes) --- # 找出出现频率最高的 N 个节点,这样散点图的点比较密集,聚类效果明显 unique_nodes, counts = np.unique(node_labels, return_counts=True) top_indices = np.argsort(-counts)[:args.num_plot_nodes] target_nodes = unique_nodes[top_indices] print(f"\nSelected top {args.num_plot_nodes} nodes for visualization: {target_nodes}") # 过滤数据,只保留属于 target_nodes 的样本 mask = np.isin(node_labels, target_nodes) filtered_labels = node_labels[mask] filtered_tasks = task_labels[mask] # --- 准备颜色和 marker 映射 --- cmap = plt.get_cmap('tab10') if args.num_plot_nodes <= 10 else plt.get_cmap('tab20') color_map = {node: cmap(i / len(target_nodes)) for i, node in enumerate(target_nodes)} # Task 到 marker 的映射 task_markers = {'A': 'o', 'E': '^', 'C': 's', 'D': 'P', 'F': 'X', 'G': 'D'} unique_tasks = np.unique(task_labels) # --- 绘图准备:所有层 + 1 个归一化后的子图 --- print(f"\nApplying PCA and Plotting...") cols = min(3, conf.n_layer + 1) # +1 for normalization subplot rows = math.ceil((conf.n_layer + 1) / cols) fig, axes = plt.subplots(rows, cols, figsize=(5 * cols + 2, 4 * rows)) if conf.n_layer + 1 == 1: axes = [axes] else: axes = axes.flatten() first_ax_handles = [] # 绘制每一层的原始特征 for l in range(conf.n_layer): feats = np.array(all_feats[l])[mask] # (Filtered_N, Hidden_Dim) # PCA 降维 pca = PCA(n_components=2, random_state=42) feats_2d = pca.fit_transform(feats) ax = axes[l] # 按节点和任务类型绘制 for node in target_nodes: for task in unique_tasks: idx = (filtered_labels == node) & (filtered_tasks == task) if np.sum(idx) > 0: marker = task_markers.get(task, 'o') ax.scatter(feats_2d[idx, 0], feats_2d[idx, 1], marker=marker, color=color_map[node], alpha=0.7, s=20) if l == 0: first_ax_handles.append(plt.Line2D([0], [0], marker=marker, color='w', markerfacecolor=color_map[node], markersize=8)) ax.set_title(f'Layer {l}') ax.set_xticks([]) ax.set_yticks([]) # 绘制最终层归一化后的特征(在最后一个 subplot) ax_norm = axes[conf.n_layer] # 使用模型的最终 LayerNorm 输出 feats_ln_f = np.array(all_feats['ln_f'])[mask] pca_norm = PCA(n_components=2, random_state=42) feats_2d_norm = pca_norm.fit_transform(feats_ln_f) for node in target_nodes: for task in unique_tasks: idx = (filtered_labels == node) & (filtered_tasks == task) if np.sum(idx) > 0: marker = task_markers.get(task, 'o') ax_norm.scatter(feats_2d_norm[idx, 0], feats_2d_norm[idx, 1], marker=marker, color=color_map[node], alpha=0.7, s=20) ax_norm.set_title(f'Layer Final (Norm)') ax_norm.set_xticks([]) ax_norm.set_yticks([]) # 统一图例放在图形右侧 legend_handles = [] for node in target_nodes: for task in sorted(unique_tasks): marker = task_markers.get(task, 'o') legend_handles.append(plt.Line2D([0], [0], marker=marker, color='w', markerfacecolor=color_map[node], markersize=8, label=f'Node {node} (Task {task})')) fig.legend(handles=legend_handles, loc='center right', bbox_to_anchor=(1.02, 0.5), title="Current Node & Task") plt.subplots_adjust(right=0.85) # 隐藏多余的子图 for l in range(conf.n_layer + 1, len(axes)): fig.delaxes(axes[l]) # 生成输出文件名,包含任务信息 task_suffix = ''.join([t for t, _ in tasks_to_extract]) output_png = os.path.join(out_dir, f"vis_{task_suffix}_nodes_iter{args.ckpt_iter}.png") fig.savefig(output_png, dpi=300, bbox_inches='tight') plt.close(fig) print(f"Visualization successfully saved to: {output_png}") # --- 计算相似度统计 --- print("\n" + "="*100) print("Similarity Statistics (Cosine Similarity)") print("="*100) # 采样 1/10 的数据以加快统计计算 n_total_samples = len(task_labels) sample_rate = 0.1 n_samples_to_use = max(1, int(n_total_samples * sample_rate)) sample_indices = np.random.choice(n_total_samples, size=n_samples_to_use, replace=False) print(f"Using {n_samples_to_use} out of {n_total_samples} samples ({sample_rate*100:.0f}%)") # 遍历所有层(包括 ln_f) layer_keys = list(range(conf.n_layer)) + ['ln_f'] for layer_key in layer_keys: if layer_key not in all_feats: continue feats_all = np.array(all_feats[layer_key]) # 全部数据 feats = feats_all[sample_indices] # 采样 10% sampled_task_labels = [task_labels[i] for i in sample_indices] sampled_node_labels = [node_labels[i] for i in sample_indices] if layer_key == 'ln_f': layer_name = "Layer Final (Norm)" else: layer_name = f"Layer {layer_key}" # 初始化统计量:用 (task_pair, same/diff) 为 key 分类收集相似度 # task_pair 格式:单任务 'A',跨任务 'A_vs_C'(按字母序) stats = {} # 用向量化的方式计算所有配对的余弦相似度(快很多) print(f" Computing similarity matrix for {layer_name}...") sim_matrix = cosine_similarity(feats) # (n_samples_to_use, n_samples_to_use) # 遍历上三角部分(i < j) n_samples = len(feats) for i in range(n_samples): for j in range(i + 1, n_samples): sim = sim_matrix[i, j] task_i = sampled_task_labels[i] task_j = sampled_task_labels[j] node_i = sampled_node_labels[i] node_j = sampled_node_labels[j] same_node = bool(node_i == node_j) # 归一化 task_pair 键 if task_i == task_j: task_pair = task_i else: task_pair = f"{task_i}_vs_{task_j}" if task_i < task_j else f"{task_j}_vs_{task_i}" kind = 'same' if same_node else 'diff' key = (task_pair, kind) if key not in stats: stats[key] = [] stats[key].append(sim) # 计算平均值并以表格形式打印(每个 task_pair 一行,Same 和 Diff 并列) print(f"\n{layer_name}:") # 收集所有出现的 task_pair:先列出单任务(按字母),再列出跨任务配对(按字母) single_pairs = sorted({tp for tp, _ in stats.keys() if '_vs_' not in tp}) cross_pairs = sorted({tp for tp, _ in stats.keys() if '_vs_' in tp}) task_pairs = single_pairs + cross_pairs for tp in task_pairs: same_vals = stats.get((tp, 'same'), []) diff_vals = stats.get((tp, 'diff'), []) mean_same = np.mean(same_vals) if same_vals else 0.0 mean_diff = np.mean(diff_vals) if diff_vals else 0.0 n_same = len(same_vals) n_diff = len(diff_vals) # 显示名:单任务显示为 "Task X",跨任务显示为 "Task X vs Y" if '_vs_' in tp: t1, t2 = tp.split('_vs_') label = f"Task {t1} vs {t2}" else: label = f"Task {tp} " print(f" {label} - Same: {mean_same:7.4f} (n={n_same:7d}) | Diff: {mean_diff:7.4f} (n={n_diff:7d})") print("="*100) if __name__ == "__main__": main()