#概要
　PyTorch様公式のTransformer実装が複雑怪奇だったため，より簡素な実装をしていきます．公式とは逆にbatch firstな点を注意してください．

　※今回は自己回帰型のエンコーダのみの実装になります．

#準備
　python = "3.6.8"
　pytorch = "1.6.0"

#ソースコード

インポート類

import copy
import math
import numpy as np

import torch
torch.manual_seed(41)
import torch.optim as optim
import torch.nn as nn
from torch.nn import functional as F

Softmaxを使ったMultiHeadのSelfAttention

Input: QKV [batch,head,length,head_dim], mask [batch,len,len]
Output: X [batch,head,length,head_dim]

class SoftmaxAttention(nn.Module):
    def __init__(self, head_dim):
        super().__init__()
        self.head_dim = head_dim

    def forward(self, Q, K, V, mask=None):
        logit = torch.einsum("bhld,bhmd->bhlm",Q,K)/math.sqrt(self.head_dim)

        if mask!=None:
            logit = logit + mask[:,None,:,:]
        
        attention_weight = F.softmax(logit, dim=-1)
        X = torch.einsum("bhlm,bhmd->bhld",attention_weight,V)

        return X

MultiHead化を含むSelfAttention層全体

Input: X [batch,length,dim], mask [batch,len,len]
Output: X [batch,length,dim]

class SelfAttention(nn.Module):
    def __init__(self, dim, head_dim, num_head):
        super().__init__()

        self.dim = dim
        self.head_dim = head_dim
        self.num_head = num_head

        assert dim == head_dim*num_head,print("ASSERT #dim = head_dim * num_head")

        self.W_q = nn.Linear(self.dim, self.dim)
        self.W_k = nn.Linear(self.dim, self.dim)
        self.W_v = nn.Linear(self.dim, self.dim)

        self.attn = SoftmaxAttention(head_dim)

    def forward(self, X, mask):
        Q = self.split_heads(self.W_q(X))
        K = self.split_heads(self.W_k(X))
        V = self.split_heads(self.W_v(X))

        attn_out = self.attn(Q.float(), K.float(), V.float(), mask.float())
        attn_out = self.combine_heads(attn_out)
        return attn_out
    
    #[batch,head,len,head_dim]->[batch,len,dim]
    def combine_heads(self, X):
        X = X.transpose(1, 2)
        X = X.reshape(X.size(0), X.size(1), self.num_head * self.head_dim)
        return X

    #[batch,len,dim]->[batch,head,len,head_dim]
    def split_heads(self, X):
        X = X.reshape(X.size(0), X.size(1), self.num_head, self.head_dim)
        X = X.transpose(1, 2)
        return X

位置エンコーディング（公式の実装はbatch firstではない事に注意）

class PositionalEncoding(nn.Module):
    def __init__(self, d_model, dropout=0.1, max_len=5000):
        super().__init__()
        self.dropout = nn.Dropout(p=dropout)

        position = torch.arange(max_len).unsqueeze(1)
        div_term = torch.exp(torch.arange(0, d_model, 2) * (-math.log(10000.0) / d_model))
        pe = torch.zeros(max_len, 1, d_model)
        pe[:, 0, 0::2] = torch.sin(position * div_term)
        pe[:, 0, 1::2] = torch.cos(position * div_term)
        self.register_buffer('pe', pe.transpose(0,1))

    #[batch,len,dim]->[batch,len,dim]
    def forward(self, x):
        x = x + self.pe[:,:x.size(1),:]
        return self.dropout(x)

Transformerエンコーダ層

Input: x [batch,length,dim], mask [batch,len,len]
Output: x [batch,length,dim]

class TransformerEncoderLayer(nn.Module):
    def __init__(self, attn_layer, ff_layer, norm_layer, drop_layer):
        super().__init__()
        self.attn_layer = attn_layer
        self.ff_layer = ff_layer
        self.norm_layer = norm_layer
        self.drop_layer = drop_layer
    
    def forward(self, x, mask):
        x = self.drop_layer(self.attn_layer(x,mask)) + x
        x = self.norm_layer(x)

        x = self.drop_layer(self.ff_layer(x)) + x
        x = self.norm_layer(x)
        
        return x

Transformerエンコーダ全体

　コメントアウト部分はキーパディング部分に対するmask処理です（あまり効果が無いので入れていません）

Input: x [batch,length]
Output: logits [batch,length,vocab_size]

from torch.nn.modules.container import ModuleList
from torch.nn.modules.normalization import LayerNorm

class TransformerEncoder(nn.Module):
    def __init__(self, num_layer, dim, ff_dim, head_dim, num_head, vocab_size=None, drop_p=0.1):
        super().__init__()

        self.vocab_size = vocab_size
        
        self.emb = nn.Embedding(vocab_size,dim) if vocab_size!=None else nn.Identity()
        self.pos_encoder = PositionalEncoding(dim)
        self.output = nn.Linear(dim,vocab_size) if vocab_size!=None else nn.Identity()

        self.encoders = ModuleList([TransformerEncoderLayer(SelfAttention(dim, head_dim, num_head),\
                            nn.Sequential(nn.Linear(dim,ff_dim),nn.ReLU(),nn.Linear(ff_dim,dim)),\
                                LayerNorm(dim, eps=1e-5),\
                                    nn.Dropout(drop_p)) for i in range(num_layer)])

    def generate_square_subsequent_mask(self, sz):
        mask = (torch.triu(torch.ones(sz, sz)) == 1).transpose(0, 1)
        mask = mask.float().masked_fill(mask == 0, float('-inf')).masked_fill(mask == 1, float(0.0))
        return mask

    # def generate_key_padding_mask(self, src, pad_id=0):
    #     f = torch.full_like(src,False).bool().to()
    #     t = torch.full_like(src,True).bool()
    #     return torch.where(src==pad_id,t,f)

    def forward(self, x, key_mask=None, sq_mask=None):
        mask = torch.zeros(x.size(0),x.size(1),x.size(1)).bool().to(x.device)

        # if self.vocab_size != None:
            # key_mask = self.generate_key_padding_mask(x).to(x.device)

        sq_mask = self.generate_square_subsequent_mask(x.size(-1)).to(x.device)

        # if key_mask != None:
        #     mask = mask.bool().to(x.device) + torch.cat([key_mask.unsqueeze(1)]*x.size(1),dim=1).bool() + torch.cat([key_mask.unsqueeze(2)]*x.size(1),dim=2).bool()
        #     mask = torch.zeros_like(mask).masked_fill_(mask,float("-inf")).to(x.device)

        if sq_mask!=None:
            mask = mask + sq_mask[None,:,:]

        mask = mask.float().to(x.device)

        x = self.emb(x)
        x = self.pos_encoder(x)

        for layer in self.encoders:
            x = layer(x,mask)

        return self.output(x)

モデルの宣言

model = TransformerEncoder(vocab_size=VOCAB_SIZE,num_layer=6,dim=512,ff_dim=1024,head_dim=64,num_head=8)

試しにテキストを自己回帰で学習してみましょう．

pip install transformers

from torch.utils.data import DataLoader, Dataset

TRAIN_BATCH = 40
VAL_BATCH = 20
LEARNING_RATE = 1e-4

with open("text.txt","r",encoding="utf-8") as r:  #適当なテキストデータ
    lines  = [line.strip() for line in r.readlines()]

import transformers
from transformers import AutoTokenizer
tokenizer = AutoTokenizer.from_pretrained("cl-tohoku/bert-base-japanese-char")
# tokenizer = AutoTokenizer.from_pretrained("cl-tohoku/bert-base-japanese")

PAD_IDX = tokenizer.pad_token_id
CLS_IDX = tokenizer.cls_token_id
EOS_IDX = tokenizer.eos_token_id
VOCAB_SIZE = tokenizer.vocab_size

class MyDataset(Dataset):
    def __init__(self,lines,_tokenizer):
        self.text = lines
        self.tokenizer = _tokenizer

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

    def __getitem__(self, idx):
        text = self.text[idx]
        encode = self.tokenizer(text)
        return torch.tensor(encode["input_ids"])

def collate_fn(batch):
    x = torch.nn.utils.rnn.pad_sequence(batch, batch_first=True, padding_value=PAD_IDX)
    return x

dataset = MyDataset(lines,tokenizer)
train_length = int(len(dataset)*0.9)
val_length = len(dataset) - train_length
train,val = torch.utils.data.random_split(dataset,[train_length,val_length])

train_loader = DataLoader(train,batch_size=TRAIN_BATCH,shuffle=True,collate_fn=collate_fn)
val_loader = DataLoader(val,batch_size=VAL_BATCH,shuffle=False,collate_fn=collate_fn)

optim = torch.optim.Adam(model.parameters(), lr=LEARNING_RATE)
device = torch.device("cuda" if torch.cuda.is_available() else "cpu")
model = model.to(device)

def cut_tensor(x,max_len=512):
    if x.size(-1)>max_len:
        return x[:,:max_len]
    else: return x

epoch = 20
for i in range(epoch):
    model.train()
    step = 0
    train_epoch_loss = 0
    for batch in train_loader:
        step += 1
        src = batch
        # src = cut_tensor(src,max_len=SEQUENCE_LENGTH+1)#max_length_cut
        src = src.to(device)
        output = model(src[:,:-1])
        optim.zero_grad()
        loss = F.cross_entropy(output.reshape(-1, output.size(-1)), src[:,1:].reshape(-1), ignore_index = PAD_IDX)
        loss.backward()
        optim.step()
        train_epoch_loss += loss.item()
    train_epoch_loss /= step

    model.eval()
    step = 0
    val_epoch_loss = 0
    for batch in val_loader:
        step += 1
        src = batch
        # src = cut_tensor(src,max_len=SEQUENCE_LENGTH+1)#max_length_cut
        src = src.to(device)
        with torch.no_grad():
            output = model(src[:,:-1])
        loss = F.cross_entropy(output.reshape(-1, output.size(-1)), src[:,1:].reshape(-1), ignore_index = PAD_IDX)
        val_epoch_loss += loss.item()
    val_epoch_loss /= step

    print("\rSTEP:{}\tTRAINLOSS:{}\tVALLOSS:{}".format(i,train_epoch_loss,val_epoch_loss))

　トークナイザ―は東北大学様のBERTの事前学習モデルよりお借りしました．

　PyTorchの公式実装と同じか，より低い損失値になったので良い感じです．

#まとめ

公式実装がややこしかったので，簡潔な自己回帰のTransformerエンコーダのコードを書きました．

#備考

layer(x, mask) -> layer(x)　とすれば自己回帰ではなくなります．
キーパディングのmask処理を入れるには，TransformerEncoderのコメントアウトを全て外してください．（GPU処理じゃないとエラーが出る場合があるそうです）

#最後に
　間違っている点などございましたら，コメント等で優しく指摘して頂けると助かります．（気付かなければ申し訳ありません）