核心思想
transformer的原理图如下所示,下文会结合哈佛大学pytorch的代码实现,对模型进行讲述。
模型结构
模型采用encoder-decoder结构,encoder输入 x ⃗ = ( x 1 , x 2 , . . . , x n ) \vec{x}=(x_1, x_2, ..., x_n) x=(x1,x2,...,xn),输出 z ⃗ = ( z 1 , z 2 , . . . , z n ) \vec{z}=(z_1, z_2, ..., z_n) z=(z1,z2,...,zn)。给定 z ⃗ \vec{z} z后decoder会生成 y ⃗ = ( y 1 , y 2 , . . . , y m ) \vec{y}=(y_1, y_2, ..., y_m) y=(y1,y2,...,ym),整体代码框架如下所示。
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)
工具类
Add & Norm
从结构图中发现,encoder和decoder每层的子层操作中,都会串接一个Add & Norm
模块,这里把它抽象出来,代码如下。
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
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)))
mask
由于encoder和decoder整体为单向结构,在attention中需要剔除未来信息,例如在[a b c d]
中,计算b的attention_score时,只能利用a和b的信息,c和d的信息需要mask掉。mask的功能代码如下所示。
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
可视化结果为如下。
attention
attention的具体原理如下图所示,具体公式为:
A
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V
Attention(Q, K, V)=softmax(\frac{QK^T}{\sqrt{d_k}})V
Attention(Q,K,V)=softmax(dkQKT)V
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
multi-head attention
基于attention,进一步衍生出multi-head attention,能够从不同维度获取attention信息,从而更大程度上挖掘序列元素之间的关联关系,具体公式和代码如下所示:
M u l t i H e a d A t t n ( Q , K , V ) = C o n c a t ( h e a d 1 , h e a d 2 , . . . , h e a d h ) W o h e a d i = A t t e n t i o n ( Q W i Q , K W i K , V W i V ) \begin{matrix} MultiHeadAttn(Q, K, V) = Concat(head_1, head_2, ..., head_h)W^o \\ \\ head_i = Attention(QW^Q_i, KW^K_i,VW^V_i) \end{matrix} MultiHeadAttn(Q,K,V)=Concat(head1,head2,...,headh)Woheadi=Attention(QWiQ,KWiK,VWiV)
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)
util
层拷贝功能函数
def clones(module, N):
"Produce N identical layers."
return nn.ModuleList([copy.deepcopy(module) for _ in range(N)])
encoder
Encoder由N个EncoderLayer组成,EncoderLayer的基本组成单元为multi-head attention子层和pointwise全连接子层,具体代码如下所示:
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
self.feed_forward = feed_forward
self.sublayer = clones(SublayerConnection(size, dropout), 2)
self.size = size
def forward(self, x, mask):
"Follow Figure 1 (left) for connections."
x = self.sublayer[0](x, lambda x: self.self_attn(x, x, x, mask))
return self.sublayer[1](x, self.feed_forward)
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)
decoder
Decoder由N个DecoderLayer组成,DecoderLayer在EncoderLayer的基础上额外添加了一个multi-head attention子层,其作用为处理encoder的输出结果,具体代码如下所示:
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
self.self_attn = self_attn
self.src_attn = src_attn
self.feed_forward = feed_forward
self.sublayer = clones(SublayerConnection(size, dropout), 3)
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))
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)