Transformer结构与代码解读

1 总体结构

由encoder + decoder组成。
6个相同的encoder， dmodel=512 ， 前向网络d_ff=2048
多头h=8, dropout=0.1
decoder后面其实还有一个linear+softmax 步骤操作
对应的整体结构和代码如下所示：

目前大部分比较热门的神经序列转换模型都有Encoder-Decoder结构[9]。Encoder将输入序列 (x1,x2,xn)映射到一个连续表示序列(z1,z2,zn)。

对于编码得到的z，Decoder每次解码生成一个符号，直到生成完整的输出序列：(y1, y2, ym)。对于每一步解码，模型都是自回归的，即在生成下一个符号时将先前生成的符号作为附加输入。

class EncoderDecoder(nn.Module):
    """
    A standard Encoder-Decoder architecture. Base for this and many 
    other models.
    """
    def __init__(self, encoder, decoder, src_embed, tgt_embed, generator):
        super(EncoderDecoder, self).__init__()
        self.encoder = encoder
        self.decoder = decoder
        self.src_embed = src_embed
        self.tgt_embed = tgt_embed
        self.generator = generator
        
    def forward(self, src, tgt, src_mask, tgt_mask):
        "Take in and process masked src and target sequences."
        return self.decode(self.encode(src, src_mask), src_mask, tgt, tgt_mask)
    
    def encode(self, src, src_mask):
        return self.encoder(self.src_embed(src), src_mask)
    
    def decode(self, memory, src_mask, tgt, tgt_mask):
        return self.decoder(self.tgt_embed(tgt), memory, src_mask, tgt_mask)
        
class Generator(nn.Module):
    "Define standard linear + softmax generation step."
    # 最后的linear + softmax步骤，如下所示
    def __init__(self, d_model, vocab):
        super(Generator, self).__init__()
        self.proj = nn.Linear(d_model, vocab)

    def forward(self, x):
        return F.log_softmax(self.proj(x), dim=-1)

2. Encoder部分

注意：每次与decoder交互的只有最后一层encoder层
由6层相同的encoder层组成, d维度为512

# encoder层，包括自注意力和前向add 和 norm. 以及残差连接
class EncoderLayer(nn.Module):
    "Encoder is made up of self-attn and feed forward (defined below)"
    def __init__(self, size, self_attn, feed_forward, dropout):
        super(EncoderLayer, self).__init__()
        self.self_attn = self_attn #自注意力
        self.feed_forward = feed_forward # 前向add 和 norm
        self.sublayer = clones(SublayerConnection(size, dropout), 2) # 残差连接
        self.size = size

    def forward(self, x, mask):
        "Follow Figure 1 (left) for connections."
        # 两个残差连接，第一个是attention ， 第二个是前向
        x = self.sublayer[0](x, lambda x: self.self_attn(x, x, x, mask)) 
        return self.sublayer[1](x, self.feed_forward)

# 前向残差连接层
class SublayerConnection(nn.Module):
    """
    A residual connection followed by a layer norm.
    Note for code simplicity the norm is first as opposed to last.
    """
    def __init__(self, size, dropout):
        super(SublayerConnection, self).__init__()
        self.norm = LayerNorm(size)
        self.dropout = nn.Dropout(dropout)

    def forward(self, x, sublayer):
        "Apply residual connection to any sublayer with the same size."
        return x + self.dropout(sublayer(self.norm(x)))
        
#整个encoder 结构：6层encoderlayer + norm
class Encoder(nn.Module):
    "Core encoder is a stack of N layers"
    def __init__(self, layer, N):
        super(Encoder, self).__init__()
        self.layers = clones(layer, N)
        self.norm = LayerNorm(layer.size)
        
    def forward(self, x, mask):
        "Pass the input (and mask) through each layer in turn."
        for layer in self.layers:
            x = layer(x, mask)
        return self.norm(x)
# 复制n层
def clones(module, N):
    "Produce N identical layers."
    return nn.ModuleList([copy.deepcopy(module) for _ in range(N)])
    
# LN归一化层
class LayerNorm(nn.Module):
    "Construct a layernorm module (See citation for details)."
    def __init__(self, features, eps=1e-6):
        super(LayerNorm, self).__init__()
        self.a_2 = nn.Parameter(torch.ones(features))
        self.b_2 = nn.Parameter(torch.zeros(features))
        self.eps = eps

    def forward(self, x):
        mean = x.mean(-1, keepdim=True)
        std = x.std(-1, keepdim=True)
        return self.a_2 * (x - mean) / (std + self.eps) + self.b_2

3. Decoder部分

只有encoder 最后一层layer交互
masked self att + atttion + feedforward + 残差

# decoder层：masked self att + atttion + feedforward + 残差
class DecoderLayer(nn.Module):
    "Decoder is made of self-attn, src-attn, and feed forward (defined below)"
    def __init__(self, size, self_attn, src_attn, feed_forward, dropout):
        super(DecoderLayer, self).__init__()
        self.size = size  # 维度
        self.self_attn = self_attn # 自注意力
        self.src_attn = src_attn  # 交互注意力
        self.feed_forward = feed_forward  #前向网络
        self.sublayer = clones(SublayerConnection(size, dropout), 3) # 残差网络
 
    def forward(self, x, memory, src_mask, tgt_mask):
        "Follow Figure 1 (right) for connections."
        m = memory
        x = self.sublayer[0](x, lambda x: self.self_attn(x, x, x, tgt_mask))  # 注意这里的mask
        x = self.sublayer[1](x, lambda x: self.src_attn(x, m, m, src_mask)) 
        return self.sublayer[2](x, self.feed_forward)


class Decoder(nn.Module):
    "Generic N layer decoder with masking."
    def __init__(self, layer, N):
        super(Decoder, self).__init__()
        self.layers = clones(layer, N)
        self.norm = LayerNorm(layer.size)
        
    def forward(self, x, memory, src_mask, tgt_mask):
        for layer in self.layers:
            x = layer(x, memory, src_mask, tgt_mask)
        return self.norm(x)


def subsequent_mask(size):
    "Mask out subsequent positions."
    attn_shape = (1, size, size)
    subsequent_mask = np.triu(np.ones(attn_shape), k=1).astype('uint8')
    return torch.from_numpy(subsequent_mask) == 0

4. Attention MultiHeadedAttention

Q,K,V为什么scale
8个头

Transformer中以三种不同的方式使用了“多头”Attention：

1. 在"Encoder-Decoder Attention"层，Query来自先前的解码器层，并且Key和Value来自Encoder的输出。Decoder中的每个位置Attend输入序列中的所有位置，这与Seq2Seq模型中的经典的Encoder-Decoder Attention机制[15]一致。
2. Encoder中的Self-attention层。在Self-attention层中，所有的Key、Value和Query都来同一个地方，这里都是来自Encoder中前一层的输出。Encoder中当前层的每个位置都能Attend到前一层的所有位置。
3. 类似的，解码器中的Self-attention层允许解码器中的每个位置Attend当前解码位置和它前面的所有位置。这里需要屏蔽解码器中向左的信息流以保持自回归属性。具体的实现方式是在缩放后的点积Attention中，屏蔽（设为负无穷）Softmax的输入中所有对应着非法连接的Value。

def attention(query, key, value, mask=None, dropout=None):
    "Compute 'Scaled Dot Product Attention'"
    d_k = query.size(-1)
    scores = torch.matmul(query, key.transpose(-2, -1)) \
             / math.sqrt(d_k)
    if mask is not None:
        scores = scores.masked_fill(mask == 0, -1e9)
    p_attn = F.softmax(scores, dim = -1)
    if dropout is not None:
        p_attn = dropout(p_attn)
    return torch.matmul(p_attn, value), p_attn

class MultiHeadedAttention(nn.Module):
    def __init__(self, h, d_model, dropout=0.1):
        "Take in model size and number of heads."
        super(MultiHeadedAttention, self).__init__()
        assert d_model % h == 0
        # We assume d_v always equals d_k
        self.d_k = d_model // h
        self.h = h
        self.linears = clones(nn.Linear(d_model, d_model), 4)
        self.attn = None
        self.dropout = nn.Dropout(p=dropout)
        
    def forward(self, query, key, value, mask=None):
        "Implements Figure 2"
        if mask is not None:
            # Same mask applied to all h heads.
            mask = mask.unsqueeze(1)
        nbatches = query.size(0)
        
        # 1) Do all the linear projections in batch from d_model => h x d_k 
        query, key, value = \
            [l(x).view(nbatches, -1, self.h, self.d_k).transpose(1, 2)
             for l, x in zip(self.linears, (query, key, value))]
        
        # 2) Apply attention on all the projected vectors in batch. 
        x, self.attn = attention(query, key, value, mask=mask, 
                                 dropout=self.dropout)
        
        # 3) "Concat" using a view and apply a final linear. 
        x = x.transpose(1, 2).contiguous() \
             .view(nbatches, -1, self.h * self.d_k)
        return self.linears[-1](x)

5. FeedForward前馈网络

Feed Forward NetWork 翻译成中文叫 前馈网络，其实就是MLP。我们这里不纠结于FFN的定义，我们直接看下transformer里是怎么实现的
dmodle = 512, 即4 * dmodle，为2048，因此，W1，W2大小为512 * 2048，2个为 2 * 512 * 2048。

Q,K,V向量的维数小于embedding的维数。它们的维数为64，而 embedding 和 encoder input/output 的维数为512。这是为了后面的multiheaded attention 计算方便选择的

Bert沿用了惯用的全连接层大小设置，即4 * dmodle，为3072，因此，W1，W2大小为768 * 3072，2个为 2 * 768 * 3072。

class PositionwiseFeedForward(nn.Module):
    "Implements FFN equation."
    def __init__(self, d_model, d_ff, dropout=0.1):
        super(PositionwiseFeedForward, self).__init__()
        self.w_1 = nn.Linear(d_model, d_ff)
        self.w_2 = nn.Linear(d_ff, d_model)
        self.dropout = nn.Dropout(dropout)

    def forward(self, x):
        return self.w_2(self.dropout(F.relu(self.w_1(x))))

6.embedding

encoder的embedding, docoder的embedding,共享同样的embedding
乘以维度的二次根
Transformer采用的是随机初始化，然后训练的方式。词向量维度为[vocab_size, d_model]

class Embeddings(nn.Module):
    #d_model=512, vocab=当前语言的词表大小
    def __init__(self, d_model, vocab):
        super(Embeddings, self).__init__()
        # one-hot转词嵌入，这里有一个待训练的矩阵E，大小是vocab*d_model
        self.lut = nn.Embedding(vocab, d_model)
        self.d_model = d_model

    def forward(self, x):
        return self.lut(x) * math.sqrt(self.d_model)
     # 得到的n*512词嵌入矩阵，主动乘以sqrt(512)=22.6，
     #这里我做了一些对比，感觉这个乘以sqrt(512)没啥用… 求反驳。
     #这里的输出的tensor大小类似于(batch.size, sequence.length, 512)

7.位置编码

注意，位置编码不会更新，是写死的，所以这个class里面没有可训练的参数。
PE模块的主要做用是把位置信息加入到输入向量中，使模型知道每个字的位置信息。对于每个位置的P E是固定的，不会因为输入的句子不同而不同，且每个位置的P E大小为1 ∗ n (n为word embedding 的dim size)，transformer中使用正余弦波来计算P E，具体如下：

为什么选择这个函数作为位置函数
1.我们之所以选择这个函数，是因为我们假设它可以让模型很容易地通过相对位置来学习,因为对任意确定的偏移k, PE_{pos+k}可以表示为PE_{pos}的线性函数。
2.我们还尝试使用预先学习的positional embeddings 来代替正弦波，发现这两个版本产生了几乎相同的结果 。我们之所以选择正弦曲线，是因为它允许模型扩展到比训练中遇到的序列长度更长的序列。
3.但是PEt PE t+k 的度量只与k的大小有关，与谁在前，谁在后无关。即，经过dot-attention机制后，我们把positional embedding中的顺序信息丢失了。所以，从这方面看，正弦波这种位置PE并不太适合在用在transformer结构中，这也可能是后面的bert，t5都采用的基于学习的positional embedding。（注：模块3Add会把顺序信息传递下去，但我们还是在算法的核心处理上丢失了信息。）

class PositionalEncoding(nn.Module):
    "Implement the PE function."
    #d_model=512,dropout=0.1,
    #max_len=5000代表事先准备好长度为5000的序列的位置编码，其实没必要，
    #一般100或者200足够了
    def __init__(self, d_model, dropout, max_len=5000):
        super(PositionalEncoding, self).__init__()
        self.dropout = nn.Dropout(p=dropout)
        
        # Compute the positional encodings once in log space.
        #(5000,512)矩阵，保持每个位置的位置编码，一共5000个位置，
        #每个位置用一个512维度向量来表示其位置编码
        pe = torch.zeros(max_len, d_model)
     
        position = torch.arange(0, max_len).unsqueeze(1)
        # (0,2,…, 4998)一共准备2500个值，供sin, cos调用
        div_term = torch.exp(torch.arange(0, d_model, 2) *
                             -(math.log(10000.0) / d_model))
        pe[:, 0::2] = torch.sin(position * div_term)
        pe[:, 1::2] = torch.cos(position * div_term)
        pe = pe.unsqueeze(0)
        self.register_buffer('pe', pe)
        
    def forward(self, x):
        x = x + Variable(self.pe[:, :x.size(1)], 
                         requires_grad=False)
        return self.dropout(x)

8. 全部模型

def make_model(src_vocab, tgt_vocab, N=6, 
               d_model=512, d_ff=2048, h=8, dropout=0.1):
    "Helper: Construct a model from hyperparameters."
    c = copy.deepcopy
    attn = MultiHeadedAttention(h, d_model)
    ff = PositionwiseFeedForward(d_model, d_ff, dropout)
    position = PositionalEncoding(d_model, dropout)
    model = EncoderDecoder(
        Encoder(EncoderLayer(d_model, c(attn), c(ff), dropout), N),
        Decoder(DecoderLayer(d_model, c(attn), c(attn), 
                             c(ff), dropout), N),
        nn.Sequential(Embeddings(d_model, src_vocab), c(position)),
        nn.Sequential(Embeddings(d_model, tgt_vocab), c(position)),
        Generator(d_model, tgt_vocab))
    
    # This was important from their code. 
    # Initialize parameters with Glorot / fan_avg.
    for p in model.parameters():
        if p.dim() > 1:
            nn.init.xavier_uniform(p)
    return model

参考链接：
哈佛的transformer的keras版本实现。以及训练测试代码