pytorch中的MultiheadAttention类解析

总结

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forward()函数的输入参数：

query(L,N,E) L 指的是输出目标序列的长度，N 就是batch_size， E 就是每个单词的embedding 维度大小
key(S,N,E) S 指的是输入目标序列的长度（也就是max_seq_length），N 就是batch_size， E 就是每个单词的embedding 维度大小
value(S,N,E) ，S 指的是输入目标序列的长度，N 是 batch_size, E 是embedding的维度

输出参数：
attn_output(L,N,E)。

为什么源序列输入长度和目标序列输出长度不一致？
这个是完全可能的。结合下张图来看：

输入长度取决于 Q 的列维度，输出长度取决于V的列维度，而两者完全没有关联。

源码分析

class MultiheadAttention(Module):
    r"""Allows the model to jointly attend to information
    from different representation subspaces.
    See reference: Attention Is All You Need

    Args:
        embed_dim: total dimension of the model.
        num_heads: parallel attention heads.
        dropout: a Dropout layer on attn_output_weights. Default: 0.0.
        bias: add bias as module parameter. Default: True.
        add_bias_kv: add bias to the key and value sequences at dim=0.
        add_zero_attn: add a new batch of zeros to the key and
                       value sequences at dim=1.
        kdim: total number of features in key. Default: None.
        vdim: total number of features in value. Default: None.

        Note: if kdim and vdim are None, they will be set to embed_dim such that
        query, key, and value have the same number of features.

    Examples::

        >>> multihead_attn = nn.MultiheadAttention(embed_dim, num_heads)
        >>> attn_output, attn_output_weights = multihead_attn(query, key, value)
    """
    bias_k: Optional[torch.Tensor]
    bias_v: Optional[torch.Tensor]

    def __init__(self, embed_dim, num_heads, dropout=0., bias=True, add_bias_kv=False, add_zero_attn=False, kdim=None, vdim=None):
        super(MultiheadAttention, self).__init__()
        # embed_dim 应该是输入的维度
        self.embed_dim = embed_dim
        # 如果没有单独为kdim,vdim设置维度，则设置成和 embed_dim 同样的值
        self.kdim = kdim if kdim is not None else embed_dim
        self.vdim = vdim if vdim is not None else embed_dim
		# 判断最后的值是否相同，设置一个标签
        self._qkv_same_embed_dim = self.kdim == embed_dim and self.vdim == embed_dim
		
        self.num_heads = num_heads
        self.dropout = dropout
        self.head_dim = embed_dim // num_heads
        assert self.head_dim * num_heads == self.embed_dim, "embed_dim must be divisible by num_heads"

        if self._qkv_same_embed_dim is False:
        	# 这里默认Wq 矩阵的第二维度是 embed_dim
            self.q_proj_weight = Parameter(torch.Tensor(embed_dim, embed_dim))
            self.k_proj_weight = Parameter(torch.Tensor(embed_dim, self.kdim))
            self.v_proj_weight = Parameter(torch.Tensor(embed_dim, self.vdim))
            self.register_parameter('in_proj_weight', None)
        else: # 这么做是为了方便一次性初始化
            self.in_proj_weight = Parameter(torch.empty(3 * embed_dim, embed_dim))
            self.register_parameter('q_proj_weight', None)
            self.register_parameter('k_proj_weight', None)
            self.register_parameter('v_proj_weight', None)

        if bias:
            self.in_proj_bias = Parameter(torch.empty(3 * embed_dim))
        else:
            self.register_parameter('in_proj_bias', None)
            
        self.out_proj = _LinearWithBias(embed_dim, embed_dim)

        if add_bias_kv:
            self.bias_k = Parameter(torch.empty(1, 1, embed_dim))
            self.bias_v = Parameter(torch.empty(1, 1, embed_dim))
        else:
            self.bias_k = self.bias_v = None

        self.add_zero_attn = add_zero_attn

        self._reset_parameters()
	
	# 这是pytorch 中专用的初始化参数的方法
    def _reset_parameters(self):
        if self._qkv_same_embed_dim:
            xavier_uniform_(self.in_proj_weight)
        else:
            xavier_uniform_(self.q_proj_weight)
            xavier_uniform_(self.k_proj_weight)
            xavier_uniform_(self.v_proj_weight)

        if self.in_proj_bias is not None:
            constant_(self.in_proj_bias, 0.)
            constant_(self.out_proj.bias, 0.)
        if self.bias_k is not None:
            xavier_normal_(self.bias_k)
        if self.bias_v is not None:
            xavier_normal_(self.bias_v)

    def __setstate__(self, state):
        # Support loading old MultiheadAttention checkpoints generated by v1.1.0
        if '_qkv_same_embed_dim' not in state:
            state['_qkv_same_embed_dim'] = True

        super(MultiheadAttention, self).__setstate__(state)

    def forward(self, query, key, value, key_padding_mask=None,
                need_weights=True, attn_mask=None):
        # type: (Tensor, Tensor, Tensor, Optional[Tensor], bool, Optional[Tensor]) -> Tuple[Tensor, Optional[Tensor]]
        r"""
    Args:
        query, key, value: map a query and a set of key-value pairs to an output.
            See "Attention Is All You Need" for more details.
        key_padding_mask: if provided, specified padding elements in the key will
            be ignored by the attention. When given a binary mask and a value is True,
            the corresponding value on the attention layer will be ignored. When given
            a byte mask and a value is non-zero, the corresponding value on the attention
            layer will be ignored
        need_weights: output attn_output_weights.
        attn_mask: 2D or 3D mask that prevents attention to certain positions. A 2D mask will be broadcasted for all
            the batches while a 3D mask allows to specify a different mask for the entries of each batch.

    Shape:
        - Inputs:
        - query: :math:`(L, N, E)` where L is the target sequence length, N is the batch size, E is
          the embedding dimension.
        - key: :math:`(S, N, E)`, where S is the source sequence length, N is the batch size, E is
          the embedding dimension.
        - value: :math:`(S, N, E)` where S is the source sequence length, N is the batch size, E is
          the embedding dimension.
        - key_padding_mask: :math:`(N, S)` where N is the batch size, S is the source sequence length.
          If a ByteTensor is provided, the non-zero positions will be ignored while the position
          with the zero positions will be unchanged. If a BoolTensor is provided, the positions with the
          value of ``True`` will be ignored while the position with the value of ``False`` will be unchanged.
        - attn_mask: 2D mask :math:`(L, S)` where L is the target sequence length, S is the source sequence length.
          3D mask :math:`(N*num_heads, L, S)` where N is the batch size, L is the target sequence length,
          S is the source sequence length. attn_mask ensure that position i is allowed to attend the unmasked
          positions. If a ByteTensor is provided, the non-zero positions are not allowed to attend
          while the zero positions will be unchanged. If a BoolTensor is provided, positions with ``True``
          is not allowed to attend while ``False`` values will be unchanged. If a FloatTensor
          is provided, it will be added to the attention weight.

        - Outputs:
        - attn_output: :math:`(L, N, E)` where L is the target sequence length, N is the batch size,
          E is the embedding dimension.
        - attn_output_weights: :math:`(N, L, S)` where N is the batch size,
          L is the target sequence length, S is the source sequence length.
        """
        if not self._qkv_same_embed_dim:
            return F.multi_head_attention_forward(
                query, key, value, self.embed_dim, self.num_heads,
                self.in_proj_weight, self.in_proj_bias,
                self.bias_k, self.bias_v, self.add_zero_attn,
                self.dropout, self.out_proj.weight, self.out_proj.bias,
                training=self.training,
                key_padding_mask=key_padding_mask, need_weights=need_weights,
                attn_mask=attn_mask, use_separate_proj_weight=True,
                q_proj_weight=self.q_proj_weight, k_proj_weight=self.k_proj_weight,
                v_proj_weight=self.v_proj_weight)
        else:
            return F.multi_head_attention_forward(
                query, key, value, self.embed_dim, self.num_heads,
                self.in_proj_weight, self.in_proj_bias,
                self.bias_k, self.bias_v, self.add_zero_attn,
                self.dropout, self.out_proj.weight, self.out_proj.bias,
                training=self.training,
                key_padding_mask=key_padding_mask, need_weights=need_weights,
                attn_mask=attn_mask)