import os import argparse import pickle import torch import math import numpy as np import random from tqdm import tqdm from torch.nn.utils.rnn import pad_sequence import matplotlib.pyplot as plt # Import project modules from model.transformer import GPTConfig, GPT from cli_utils import parse_count, format_count def parse_args(): parser = argparse.ArgumentParser(description='Probe Attention Weights towards the Target Token.') # --- 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=50) parser.add_argument('--num_train_dataset', type=parse_count, default="9M") parser.add_argument('--tasks', type=str, default='C1', help='Tasks used for filename generation.') 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) parser.add_argument('--NLS', action='store_true', default=False, help='Use NLS model checkpoint (adds _NLS suffix to checkpoint/output filenames)') # --- Attention Probe Specific --- parser.add_argument('--target_task', type=str, default='C', help='Which task to analyze (e.g., A, C, E).') parser.add_argument('--num_samples', type=int, default=1000, help='Number of sequences to sample.') parser.add_argument('--seq_len', type=int, default=30, help='Exact length of sequences to analyze.') parser.add_argument('--batch_size', type=int, default=100) 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_fixed_length_data(lines, stoi, num_samples, seq_len, no_task_tag, target_task): valid_seqs = [] # 根据是否有 Task Tag 确定目标 Token 的位置 target_idx = 1 if no_task_tag else 2 labels_chars = {'a', 'b', 'c', 'd', 'e', 'f', 'g', 'h', 'i', 'j'} for line in lines: parts = line.split() if len(parts) < seq_len: continue # 校验序列格式是否合法,确保 target_idx 的下一个 Token 确实是冒号 ":" if target_idx + 1 >= len(parts) or parts[target_idx + 1] != ':': continue colon_idx = target_idx + 1 # 过滤保留指定的 target_task if not no_task_tag: if parts[0] != target_task: continue else: # 如果没有 Task Tag,通过冒号后的动作序列特征来启发式识别 Task E 和 Task A is_task_e = len(parts) > colon_idx + 2 and parts[colon_idx + 2] in labels_chars if target_task == 'E' and not is_task_e: continue if target_task == 'A' and is_task_e: continue try: tokens = [stoi[p] for p in parts[:seq_len]] valid_seqs.append(tokens) except KeyError: continue if len(valid_seqs) < num_samples: print(f"Warning: Only found {len(valid_seqs)} valid Task {target_task} sequences. Using all of them.") sampled = valid_seqs else: sampled = random.sample(valid_seqs, num_samples) return [torch.tensor(s, dtype=torch.long) for s in sampled], target_idx # 全局容器,用于存储截获的注意力矩阵 activations = {} def get_attention_hook(layer_idx, n_head): """ 挂载在 c_attn 层上的 Hook: c_attn 输出 shape 为 (B, T, 3 * C),包含 Q, K, V。 修改:保留所有 Head 的维度,不再取平均。 """ def hook(module, input, output): B, T, C3 = output.size() C = C3 // 3 hs = C // n_head # 拆分 Q, K, V q, k, v = output.split(C, dim=2) # Reshape & Transpose: (B, nh, T, hs) k = k.view(B, T, n_head, hs).transpose(1, 2) q = q.view(B, T, n_head, hs).transpose(1, 2) # 计算 Attention 分数 att = (q @ k.transpose(-2, -1)) * (1.0 / math.sqrt(hs)) # 应用因果掩码 mask = torch.tril(torch.ones(T, T, device=output.device)).view(1, 1, T, T) att = att.masked_fill(mask == 0, float('-inf')) # Softmax att = torch.nn.functional.softmax(att, dim=-1) # 修改:保留 Head 维度,shape 变为 (B, n_head, T, T) att_full = att.detach().cpu() if layer_idx not in activations: activations[layer_idx] = [] activations[layer_idx].append(att_full) return hook def main(): args = parse_args() seed = 42 torch.manual_seed(seed) np.random.seed(seed) random.seed(seed) 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 = f"{tasks_tag}_NLS" if args.NLS else tasks_tag nls_suffix = '_NLS' if args.NLS else '' 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_first_existing(candidates): for path in candidates: if os.path.exists(path): return path return candidates[0] # 1. Load Meta meta = pickle.load(open(pick_first_existing([f'{data_dir}/meta_{tasks_tag}.pkl', f'{data_dir}/meta.pkl']), 'rb')) stoi, itos = meta['stoi'], meta['itos'] # 2. Load Model train_label = format_count(args.num_train_dataset) ckpt_path = pick_first_existing([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')]) checkpoint = torch.load(ckpt_path, map_location=args.device) conf = GPTConfig(**checkpoint['model_args']) # 强制不使用 flash_attention 以便于我们 Hook QKV 时保持计算流清晰 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() # 3. Register Hooks for all layers' c_attn module for i in range(conf.n_layer): model.transformer.h[i].attn.c_attn.register_forward_hook(get_attention_hook(i, conf.n_head)) # 4. Prepare Data train_txt = pick_first_existing([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"Loading data from: {train_txt}") lines = load_lines(train_txt) dataset, target_idx = extract_fixed_length_data(lines, stoi, args.num_samples, args.seq_len, args.no_task_tag, args.target_task) print(f"Successfully extracted {len(dataset)} Task {args.target_task} sequences of length {args.seq_len}.") print(f"Target token index determined as: {target_idx} (0-indexed)") # Print a few sample prefixes print(f"\n--- Task {args.target_task} Sequence Samples ---") for s in dataset[:3]: print(" ".join([itos[x.item()] for x in s])) print("------------------------\n") # 5. Inference for i in tqdm(range(0, len(dataset), args.batch_size), desc="Running Inference"): batch = dataset[i: i + args.batch_size] x_padded = pad_sequence(batch, batch_first=True, padding_value=0).to(args.device) with torch.no_grad(): model(x_padded) # 6. Analyze Attention Weights (Text Output) # 注意:这里为了保持文本输出的简洁,我们依然计算该层所有 Head 的平均统计值 print(f"\n--- Attention Weights towards Target Token (Index: {target_idx}) ---") results_text = f"Attention Probe Results - Task {args.target_task} (Seq Len: {args.seq_len}, Samples: {len(dataset)})\n" results_text += f"Target Token Index: {target_idx}\n" results_text += "Note: Stats below are averaged over all heads for each layer.\n\n" for l in range(conf.n_layer): # 拼接所有 batch -> (Total_Samples, n_head, T, T) layer_att = torch.cat(activations[l], dim=0) # 对 head 维度取平均,用于文本统计 -> (Total_Samples, T, T) layer_att_mean_heads = layer_att.mean(dim=1) layer_header = f"=== Layer {l:02d} ===" print(layer_header) results_text += layer_header + "\n" # Calculate attention weight from every position to the target_idx for pos in range(args.seq_len): if pos < target_idx: line = f" Pos {pos:02d} : 0.0000 ± 0.0000 (Masked)" else: # 使用平均后的 attention 计算统计值 weights = layer_att_mean_heads[:, pos, target_idx].numpy() mean_w = np.mean(weights) std_w = np.std(weights) line = f" Pos {pos:02d} : {mean_w:.4f} ± {std_w:.4f}" print(line) results_text += line + "\n" print() results_text += "\n" # 7. Save to txt output_txt = os.path.join(out_dir, f"attention_probe_Task{args.target_task}_L{args.seq_len}_iter{args.ckpt_iter}{nls_suffix}.txt") with open(output_txt, 'w') as f: f.write(results_text) print(f"Done! Attention stats saved to: {output_txt}") # 8. Visualize Attention Matrices (Per Head) print("\n--- Generating Attention Matrix Visualization (Per Head) ---") # 布局: # - n_head == 1:行=1,列=层数(层横向排列) # - n_head > 1:行=层数,列=头数(每行是同一层的多个头) if conf.n_head > 1: rows = conf.n_layer cols = conf.n_head layout_by_layer_rows = True else: rows = 1 cols = conf.n_layer layout_by_layer_rows = False fig, axes = plt.subplots(rows, cols, figsize=(3 * cols, 3 * rows), squeeze=False) for l in range(conf.n_layer): # 拼接所有 batch -> (Total_Samples, n_head, T, T) layer_att = torch.cat(activations[l], dim=0) for h in range(conf.n_head): # 取特定 Head,并在样本维度求平均 -> (T, T) mean_att_matrix = layer_att[:, h, :, :].mean(dim=0).numpy() if layout_by_layer_rows: row_idx, col_idx = l, h else: row_idx, col_idx = 0, l ax = axes[row_idx, col_idx] # aspect='equal' 强制像素为正方形,保证矩阵不变形 im = ax.imshow(mean_att_matrix, cmap='viridis', aspect='equal', vmin=0, vmax=1) # 设置标题 ax.set_title(f'L{l} H{h}', fontsize=10) # 仅在最左列显示 Y 轴标签 if col_idx == 0: ax.set_ylabel(f'L{l} Query Pos' if layout_by_layer_rows else 'Query Pos') # 仅在最下行显示 X 轴标签 if row_idx == rows - 1: ax.set_xlabel('Key Pos') # 标记目标 Token 列 ax.axvline(x=target_idx, color='red', linestyle='--', alpha=0.5, linewidth=1) # 调整布局,留出右侧 colorbar 的空间 fig.subplots_adjust(right=0.82) cbar_ax = fig.add_axes([0.86, 0.15, 0.02, 0.7]) fig.colorbar(im, cax=cbar_ax, label='Attention Weight') plt.suptitle(f'Attention Matrices per Head - Task {args.target_task} (Target Idx: {target_idx})', fontsize=16) output_png = os.path.join(out_dir, f"attention_matrix_Task{args.target_task}_L{args.seq_len}_iter{args.ckpt_iter}{nls_suffix}.png") plt.savefig(output_png, dpi=300, bbox_inches='tight') plt.close() print(f"Done! Attention visualization saved to: {output_png}") if __name__ == "__main__": main()