大模型入门第三课:从零开始构建GPT 2.0

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这是第三次课。我们来构建ChatGPT 2.0。首先,我们直接上代码。

(借助已有的库,我们可以只用几百行代码就能实现一个GPT 2.0。我们不需要写那些非常基本的函数!这真是太棒了!)


# This file collects all the relevant code that we covered thus far
# throughout Chapters 2-4.
# This file can be run as a standalone script.

import tiktoken
import torch
import torch.nn as nn
from torch.utils.data import Dataset, DataLoader

#####################################
# Chapter 2
#####################################


class GPTDatasetV1(Dataset):
    def __init__(self, txt, tokenizer, max_length, stride):
        self.input_ids = []
        self.target_ids = []

        # Tokenize the entire text
        token_ids = tokenizer.encode(txt, allowed_special={"<|endoftext|>"})

        # Use a sliding window to chunk the book into overlapping sequences of max_length
        for i in range(0, len(token_ids) - max_length, stride):
            input_chunk = token_ids[i:i + max_length]
            target_chunk = token_ids[i + 1: i + max_length + 1]
            self.input_ids.append(torch.tensor(input_chunk))
            self.target_ids.append(torch.tensor(target_chunk))

    def __len__(self):
        return len(self.input_ids)

    def __getitem__(self, idx):
        return self.input_ids[idx], self.target_ids[idx]


def create_dataloader_v1(txt, batch_size=4, max_length=256,
                         stride=128, shuffle=True, drop_last=True, num_workers=0):
    # Initialize the tokenizer
    tokenizer = tiktoken.get_encoding("gpt2")

    # Create dataset
    dataset = GPTDatasetV1(txt, tokenizer, max_length, stride)

    # Create dataloader
    dataloader = DataLoader(
        dataset, batch_size=batch_size, shuffle=shuffle, drop_last=drop_last, num_workers=num_workers)

    return dataloader


#####################################
# Chapter 3
#####################################
class MultiHeadAttention(nn.Module):
    def __init__(self, d_in, d_out, context_length, dropout, num_heads, qkv_bias=False):
        super().__init__()
        assert d_out % num_heads == 0, "d_out must be divisible by num_heads"

        self.d_out = d_out
        self.num_heads = num_heads
        self.head_dim = d_out // num_heads  # Reduce the projection dim to match desired output dim

        self.W_query = nn.Linear(d_in, d_out, bias=qkv_bias)
        self.W_key = nn.Linear(d_in, d_out, bias=qkv_bias)
        self.W_value = nn.Linear(d_in, d_out, bias=qkv_bias)
        self.out_proj = nn.Linear(d_out, d_out)  # Linear layer to combine head outputs
        self.dropout = nn.Dropout(dropout)
        self.register_buffer("mask", torch.triu(torch.ones(context_length, context_length), diagonal=1))

    def forward(self, x):
        b, num_tokens, d_in = x.shape

        keys = self.W_key(x)  # Shape: (b, num_tokens, d_out)
        queries = self.W_query(x)
        values = self.W_value(x)

        # We implicitly split the matrix by adding a `num_heads` dimension
        # Unroll last dim: (b, num_tokens, d_out) -> (b, num_tokens, num_heads, head_dim)
        keys = keys.view(b, num_tokens, self.num_heads, self.head_dim)
        values = values.view(b, num_tokens, self.num_heads, self.head_dim)
        queries = queries.view(b, num_tokens, self.num_heads, self.head_dim)

        # Transpose: (b, num_tokens, num_heads, head_dim) -> (b, num_heads, num_tokens, head_dim)
        keys = keys.transpose(1, 2)
        queries = queries.transpose(1, 2)
        values = values.transpose(1, 2)

        # Compute scaled dot-product attention (aka self-attention) with a causal mask
        attn_scores = queries @ keys.transpose(2, 3)  # Dot product for each head

        # Original mask truncated to the number of tokens and converted to boolean
        mask_bool = self.mask.bool()[:num_tokens, :num_tokens]

        # Use the mask to fill attention scores
        attn_scores.masked_fill_(mask_bool, -torch.inf)

        attn_weights = torch.softmax(attn_scores / keys.shape[-1]**0.5, dim=-1)
        attn_weights = self.dropout(attn_weights)

        # Shape: (b, num_tokens, num_heads, head_dim)
        context_vec = (attn_weights @ values).transpose(1, 2)

        # Combine heads, where self.d_out = self.num_heads * self.head_dim
        context_vec = context_vec.contiguous().view(b, num_tokens, self.d_out)
        context_vec = self.out_proj(context_vec)  # optional projection

        return context_vec


#####################################
# Chapter 4
#####################################
class LayerNorm(nn.Module):
    def __init__(self, emb_dim):
        super().__init__()
        self.eps = 1e-5
        self.scale = nn.Parameter(torch.ones(emb_dim))
        self.shift = nn.Parameter(torch.zeros(emb_dim))

    def forward(self, x):
        mean = x.mean(dim=-1, keepdim=True)
        var = x.var(dim=-1, keepdim=True, unbiased=False)
        norm_x = (x - mean) / torch.sqrt(var + self.eps)
        return self.scale * norm_x + self.shift


class GELU(nn.Module):
    def __init__(self):
        super().__init__()

    def forward(self, x):
        return 0.5 * x * (1 + torch.tanh(
            torch.sqrt(torch.tensor(2.0 / torch.pi)) *
            (x + 0.044715 * torch.pow(x, 3))
        ))


class FeedForward(nn.Module):
    def __init__(self, cfg):
        super().__init__()
        self.layers = nn.Sequential(
            nn.Linear(cfg["emb_dim"], 4 * cfg["emb_dim"]),
            GELU(),
            nn.Linear(4 * cfg["emb_dim"], cfg["emb_dim"]),
        )

    def forward(self, x):
        return self.layers(x)


class TransformerBlock(nn.Module):
    def __init__(self, cfg):
        super().__init__()
        self.att = MultiHeadAttention(
            d_in=cfg["emb_dim"],
            d_out=cfg["emb_dim"],
            context_length=cfg["context_length"],
            num_heads=cfg["n_heads"],
            dropout=cfg["drop_rate"],
            qkv_bias=cfg["qkv_bias"])
        self.ff = FeedForward(cfg)
        self.norm1 = LayerNorm(cfg["emb_dim"])
        self.norm2 = LayerNorm(cfg["emb_dim"])
        self.drop_shortcut = nn.Dropout(cfg["drop_rate"])

    def forward(self, x):
        # Shortcut connection for attention block
        shortcut = x
        x = self.norm1(x)
        x = self.att(x)   # Shape [batch_size, num_tokens, emb_size]
        x = self.drop_shortcut(x)
        x = x + shortcut  # Add the original input back

        # Shortcut connection for feed-forward block
        shortcut = x
        x = self.norm2(x)
        x = self.ff(x)
        x = self.drop_shortcut(x)
        x = x + shortcut  # Add the original input back

        return x


class GPTModel(nn.Module):
    def __init__(self, cfg):
        super().__init__()
        self.tok_emb = nn.Embedding(cfg["vocab_size"], cfg["emb_dim"])
        self.pos_emb = nn.Embedding(cfg["context_length"], cfg["emb_dim"])
        self.drop_emb = nn.Dropout(cfg["drop_rate"])

        self.trf_blocks = nn.Sequential(
            *[TransformerBlock(cfg) for _ in range(cfg["n_layers"])])

        self.final_norm = LayerNorm(cfg["emb_dim"])
        self.out_head = nn.Linear(cfg["emb_dim"], cfg["vocab_size"], bias=False)

    def forward(self, in_idx):
        batch_size, seq_len = in_idx.shape
        tok_embeds = self.tok_emb(in_idx)
        pos_embeds = self.pos_emb(torch.arange(seq_len, device=in_idx.device))
        x = tok_embeds + pos_embeds  # Shape [batch_size, num_tokens, emb_size]
        x = self.drop_emb(x)
        x = self.trf_blocks(x)
        x = self.final_norm(x)
        logits = self.out_head(x)
        return logits


def generate_text_simple(model, idx, max_new_tokens, context_size):
    # idx is (B, T) array of indices in the current context
    for _ in range(max_new_tokens):

        # Crop current context if it exceeds the supported context size
        # E.g., if LLM supports only 5 tokens, and the context size is 10
        # then only the last 5 tokens are used as context
        idx_cond = idx[:, -context_size:]

        # Get the predictions
        with torch.no_grad():
            logits = model(idx_cond)

        # Focus only on the last time step
        # (batch, n_token, vocab_size) becomes (batch, vocab_size)
        logits = logits[:, -1, :]

        # Get the idx of the vocab entry with the highest logits value
        idx_next = torch.argmax(logits, dim=-1, keepdim=True)  # (batch, 1)

        # Append sampled index to the running sequence
        idx = torch.cat((idx, idx_next), dim=1)  # (batch, n_tokens+1)

    return idx


def main():
    GPT_CONFIG_124M = {
        "vocab_size": 50257,     # Vocabulary size
        "context_length": 1024,  # Context length
        "emb_dim": 768,          # Embedding dimension
        "n_heads": 12,           # Number of attention heads
        "n_layers": 12,          # Number of layers
        "drop_rate": 0.1,        # Dropout rate
        "qkv_bias": False        # Query-Key-Value bias
    }

    torch.manual_seed(123)
    model = GPTModel(GPT_CONFIG_124M)
    model.eval()  # disable dropout

    start_context = "Hello, My name is"

    tokenizer = tiktoken.get_encoding("gpt2")
    encoded = tokenizer.encode(start_context)
    encoded_tensor = torch.tensor(encoded).unsqueeze(0)

    print(f"\n{50*'='}\n{22*' '}IN\n{50*'='}")
    print("\nInput text:", start_context)
    print("Encoded input text:", encoded)
    print("encoded_tensor.shape:", encoded_tensor.shape)

    out = generate_text_simple(
        model=model,
        idx=encoded_tensor,
        max_new_tokens=10,
        context_size=GPT_CONFIG_124M["context_length"]
    )
    decoded_text = tokenizer.decode(out.squeeze(0).tolist())

    print(f"\n\n{50*'='}\n{22*' '}OUT\n{50*'='}")
    print("\nOutput:", out)
    print("Output length:", len(out[0]))
    print("Output text:", decoded_text)


if __name__ == "__main__":
    main()

GPT 模型架构

输入 token ids
   ↓
Token Embedding
   +
Positional EmbeddingDropoutTransformerBlock × N
   ↓
Final LayerNormLinear (LM Head)
   ↓
Logits (预测下一个 token)

代码实现

我们已经明白架构。下面做的事情就是将输入通过不同函数的作用执行架构里面的流程。在这里这些流程通过forward函数来完成。

class GPTModel(nn.Module):
    def __init__(self, cfg):
        super().__init__()
        self.tok_emb = nn.Embedding(cfg["vocab_size"], cfg["emb_dim"])
        self.pos_emb = nn.Embedding(cfg["context_length"], cfg["emb_dim"])
        self.drop_emb = nn.Dropout(cfg["drop_rate"])

        self.trf_blocks = nn.Sequential(
            *[TransformerBlock(cfg) for _ in range(cfg["n_layers"])])

        self.final_norm = LayerNorm(cfg["emb_dim"])
        self.out_head = nn.Linear(cfg["emb_dim"], cfg["vocab_size"], bias=False)

 def forward(self, in_idx):
    # in_idx: (B, T)
    # 输入是 token 的整数索引(词表编号)
    
    batch_size, seq_len = in_idx.shape
    # 取出 batch 大小 B 和 序列长度 T
    
    tok_embeds = self.tok_emb(in_idx)
    # Token Embedding
    # 把 token id 查表变成向量
    # (B, T) → (B, T, C)
    # C = emb_dim
    
    pos_embeds = self.pos_emb(torch.arange(seq_len, device=in_idx.device))
    # Positional Embedding
    # 生成位置 0...T-1 的向量
    # (T) → (T, C)
    
    x = tok_embeds + pos_embeds
    # 把 token 向量 + 位置向量
    # 得到带位置信息的输入表示
    # 形状: (B, T, C)
    
    x = self.drop_emb(x)
    # Embedding 后做 Dropout(训练时防止过拟合)
    # 形状不变 (B, T, C)
    
    x = self.trf_blocks(x)
    # 经过 N 层 TransformerBlock
    # 每层包含:
    #   LayerNorm → Causal Multi-Head Attention → 残差
    #   LayerNorm → FeedForward(MLP) → 残差
    # 形状保持 (B, T, C)
    
    x = self.final_norm(x)
    # 所有 Transformer 层之后再做一次 LayerNorm
    # 提高数值稳定性
    # 形状 (B, T, C)
    
    logits = self.out

        

Transformer 架构如下

输入 x  (B, T, C)
  │
  ├───────────────────────────────┐
  │                               │
  │   ┌───────────────┐           │
  │   │ LayerNorm #1  │  norm1    │
  │   └───────┬───────┘           │
  │           │                   │
  │   ┌───────▼────────┐          │
  │   │ Multi-Head      │  att    │
  │   │ Causal SelfAttn │         │
  │   └───────┬────────┘          │
  │           │                   │
  │      ┌────▼─────┐             │
  │      │ Dropout  │ drop_shortcut
  │      └────┬─────┘             │
  │           │                   │
  └───────────┼────────── (+) ────┘   ← residual add
              │
            x1 (B, T, C)
              │
  ├───────────────────────────────┐
  │                               │
  │   ┌───────────────┐           │
  │   │ LayerNorm #2  │  norm2    │
  │   └───────┬───────┘           │
  │           │                   │
  │   ┌───────▼────────┐          │
  │   │ FeedForward     │  ff     │
  │   │ (MLP: C→4C→C)   │         │
  │   └───────┬────────┘          │
  │           │                   │
  │      ┌────▼─────┐             │
  │      │ Dropout  │ drop_shortcut
  │      └────┬─────┘             │
  │           │                   │
  └───────────┼────────── (+) ────┘   ← residual add
              │
输出 x2 (B, T, C)

代码实现
class TransformerBlock(nn.Module):
    def __init__(self, cfg):
        super().__init__()
        
        # ===== Multi-Head Causal Self-Attention =====
        # 这是 GPT 的核心模块:
        # 作用:让每个 token 根据“前面所有 token”更新自己的表示
        # d_in = d_out = emb_dim(保持维度一致,方便做残差)
        self.att = MultiHeadAttention(
            d_in=cfg["emb_dim"],
            d_out=cfg["emb_dim"],
            context_length=cfg["context_length"],  # 用来创建 causal mask
            num_heads=cfg["n_heads"],              # 多头数量
            dropout=cfg["drop_rate"],
            qkv_bias=cfg["qkv_bias"]
        )

        # ===== FeedForward (MLP) =====
        # 结构:Linear(C,4C) → GELU → Linear(4C,C)
        # 作用:做非线性特征变换
        self.ff = FeedForward(cfg)

        # ===== LayerNorm(Pre-LN结构)=====
        # GPT-2 之后使用的是 Pre-LN:
        # LN → 子层 → 残差
        self.norm1 = LayerNorm(cfg["emb_dim"])  # Attention 前
        self.norm2 = LayerNorm(cfg["emb_dim"])  # FFN 前

        # ===== Dropout =====
        # 用在子层输出后、残差相加前
        self.drop_shortcut = nn.Dropout(cfg["drop_rate"])

    def forward(self, x):
        # x 的形状: (batch_size, seq_len, emb_dim)
        # B = batch size
        # T = token 数
        # C = emb_dim

        # ==================================================
        # 1️. Attention 子层
        # ==================================================

        shortcut = x
        # 保存原始输入,用于残差连接

        x = self.norm1(x)
        # Pre-LN:先做 LayerNorm
        # 形状不变 (B, T, C)

        x = self.att(x)
        # 多头因果自注意力
        # 每个 token 只能看到自己和前面的 token
        # 输出形状仍为 (B, T, C)

        x = self.drop_shortcut(x)
        # 对 Attention 输出做 Dropout(训练时随机置零部分神经元)

        x = x + shortcut
        # 残差连接
        # 防止梯度消失,让深层网络更稳定
        # 输出形状仍 (B, T, C)

        # ==================================================
        # 2️. FeedForward 子层
        # ==================================================

        shortcut = x
        # 再次保存当前输入,用于 FFN 的残差连接

        x = self.norm2(x)
        # Pre-LN:在 FFN 前做 LayerNorm
        # 形状 (B, T, C)

        x = self.ff(x)
        # 前馈网络:
        # Linear(C,4C) → GELU → Linear(4C,C)
        # 输出形状仍 (B, T, C)

        x = self.drop_shortcut(x)
        # Dropout

        x = x + shortcut
        # 残差连接
        # 输出形状仍 (B, T, C)

        return x
        # 返回这一层 TransformerBlock 的输出

附录

关于PyTorch里面nn的库(nn.embedding)

在 GPT 里:

Embedding 就是把“单词编号”变成“可以计算的向量”。

假设我们的词表只有 3 个词:

0"I"
1"love"
2"AI"

假设:

emb_dim = 2   (每个词用 2 维向量表示)

那 GPT 里的 embedding 层内部其实是一个矩阵:

权重矩阵 (vocab_size × emb_dim)

        dim1   dim2
I      [0.2    0.8]
love   [0.9    0.1]
AI     [0.4    0.6]

** 现在输入一句话**

"I love AI"

对应 token ids:

[0, 1, 2]

经过 Embedding

GPT 做的事情就是:

查表

变成:

[
 [0.2, 0.8],   ← "I"
 [0.9, 0.1],   ← "love"
 [0.4, 0.6]    ← "AI"
]

形状变成:

(3, 2)

如果 batch=1,就是:

(1, 3, 2)

然后 GPT 才开始工作

GPT 不能直接处理单词
它只能处理向量
所以 Embedding 是第一步

参考:

[1].《从零构建大模型》

[2]. 代码来自:
github.com/rasbt/LLMs-…
License: Apache 2.0