对Transformer中self-attention的理解

什么是self-attention

首先我们来看一下Transformer架构:对于input输出,首先进行input embedding,然后再进行positional encoding,将两者相加作为Encoder的输入,也就是输如X在这里插入图片描述
何为self-attention?首先我们要明白什么是attention,对于传统的seq2seq任务,例如中-英文翻译,输入中文,得到英文,即source是中文句子(x1 x2 x3),英文句子是target(y1 y2 y3)
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attention机制发生在target的元素和source中的所有元素之间。简单的将就是attention机制中的权重计算需要target参与,即在上述Encoder-Decoder模型中,Encoder和Decoder两部分都需要参与运算。

而对于self-attention,它不需要Decoder的参与,而是source内部元素之间发生的运算,对于输入向量X,对其做线性变换,分别得到Q、K、V矩阵
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然后去计算attention,Q、K点乘得到初步的权重因子,并对Q、K点乘结果进行放缩,除以sqrt(dk),Q、K点乘之后的方差会随着维度的增大而增大,而大的方差会导致极小的梯度,为了防止梯度消失,所以除以sqrt(dk)来减小方差,最终再加一个softmax就得到了self attention的输出。
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Multi–head-attention

Multi–head-attention使用了多个头进行运算,捕捉到了更多的信息,多头的数量用h表示,一般h=8,表示8个头
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在输入每个self-attention之前,我们需将输入X均分的分到h个头中,得到Z1-Z7八个头的输出结果。
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对于每个头计算相应的attention score,将其进行拼接,再与W0进行一个线性变换,就得到最终输出的Z。
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以下是使用PyTorch实现TransformerSelf-Attention的示例代码: ## Self-Attention ```python import torch import torch.nn as nn class SelfAttention(nn.Module): def __init__(self, embed_size, heads): super(SelfAttention, self).__init__() self.embed_size = embed_size self.heads = heads self.head_dim = embed_size // heads assert (self.head_dim * heads == embed_size), "Embed size needs to be divisible by heads" self.values = nn.Linear(self.head_dim, self.head_dim, bias=False) self.keys = nn.Linear(self.head_dim, self.head_dim, bias=False) self.queries = nn.Linear(self.head_dim, self.head_dim, bias=False) self.fc_out = nn.Linear(heads * self.head_dim, embed_size) def forward(self, values, keys, queries, mask): # Get number of training examples N = queries.shape[0] value_len, key_len, query_len = values.shape[1], keys.shape[1], queries.shape[1] # Split embedding into self.heads pieces values = values.reshape(N, value_len, self.heads, self.head_dim) keys = keys.reshape(N, key_len, self.heads, self.head_dim) queries = queries.reshape(N, query_len, self.heads, self.head_dim) # Transpose to get dimensions batch_size * self.heads * seq_len * self.head_dim values = values.permute(0, 2, 1, 3) keys = keys.permute(0, 2, 1, 3) queries = queries.permute(0, 2, 1, 3) # Calculate energy energy = torch.matmul(queries, keys.permute(0, 1, 3, 2)) if mask is not None: energy = energy.masked_fill(mask == 0, float("-1e20")) # Apply softmax to get attention scores attention = torch.softmax(energy / (self.embed_size ** (1/2)), dim=-1) # Multiply attention scores with values out = torch.matmul(attention, values) # Concatenate and linearly transform output out = out.permute(0, 2, 1, 3).reshape(N, query_len, self.heads * self.head_dim) out = self.fc_out(out) return out ``` ## Transformer ```python import torch import torch.nn as nn from torch.nn.modules.activation import MultiheadAttention class TransformerBlock(nn.Module): def __init__(self, embed_size, heads, dropout, forward_expansion): super(TransformerBlock, self).__init__() self.attention = MultiheadAttention(embed_dim=embed_size, num_heads=heads) self.norm1 = nn.LayerNorm(embed_size) self.norm2 = nn.LayerNorm(embed_size) self.feed_forward = nn.Sequential( nn.Linear(embed_size, forward_expansion * embed_size), nn.ReLU(), nn.Linear(forward_expansion * embed_size, embed_size) ) self.dropout = nn.Dropout(dropout) def forward(self, value, key, query, mask): attention_output, _ = self.attention(query, key, value, attn_mask=mask) x = self.dropout(self.norm1(attention_output + query)) forward_output = self.feed_forward(x) out = self.dropout(self.norm2(forward_output + x)) return out class Encoder(nn.Module): def __init__(self, src_vocab_size, embed_size, num_layers, heads, device, forward_expansion, dropout, max_length): super(Encoder, self).__init__() self.embed_size = embed_size self.device = device self.word_embedding = nn.Embedding(src_vocab_size, embed_size) self.position_embedding = nn.Embedding(max_length, embed_size) self.layers = nn.ModuleList([ TransformerBlock(embed_size, heads, dropout, forward_expansion) for _ in range(num_layers) ]) self.dropout = nn.Dropout(dropout) def forward(self, x, mask): N, seq_length = x.shape positions = torch.arange(0, seq_length).expand(N, seq_length).to(self.device) out = self.dropout(self.word_embedding(x) + self.position_embedding(positions)) for layer in self.layers: out = layer(out, out, out, mask) return out class DecoderBlock(nn.Module): def __init__(self, embed_size, heads, forward_expansion, dropout, device): super(DecoderBlock, self).__init__() self.norm = nn.LayerNorm(embed_size) self.attention = MultiheadAttention(embed_size, heads) self.transformer_block = TransformerBlock(embed_size, heads, dropout, forward_expansion) self.dropout = nn.Dropout(dropout) def forward(self, x, value, key, src_mask, trg_mask): attention_output, _ = self.attention(x, x, x, attn_mask=trg_mask) query = self.dropout(self.norm(attention_output + x)) out = self.transformer_block(value, key, query, src_mask) return out class Decoder(nn.Module): def __init__(self, trg_vocab_size, embed_size, num_layers, heads, forward_expansion, dropout, device, max_length): super(Decoder, self).__init__() self.embed_size = embed_size self.device = device self.word_embedding = nn.Embedding(trg_vocab_size, embed_size) self.position_embedding = nn.Embedding(max_length, embed_size) self.layers = nn.ModuleList([ DecoderBlock(embed_size, heads, forward_expansion, dropout, device) for _ in range(num_layers) ]) self.fc_out = nn.Linear(embed_size, trg_vocab_size) self.dropout = nn.Dropout(dropout) def forward(self, x, enc_out, src_mask, trg_mask): N, seq_length = x.shape positions = torch.arange(0, seq_length).expand(N, seq_length).to(self.device) x = self.dropout(self.word_embedding(x) + self.position_embedding(positions)) for layer in self.layers: x = layer(x, enc_out, enc_out, src_mask, trg_mask) out = self.fc_out(x) return out ``` 这些代码可以用于实现TransformerSelf-Attention模型。但这只是示例,你需要根据你的数据和任务来调整这些代码的各种超参数和结构。

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