transformer.py

import copy
import math
import torch
import torch.cuda
import torch.nn as nn
import torch.nn.functional as F
from torch import Tensor
from torch.nn import (
    Module,
    MultiheadAttention,
    ModuleList,
    Dropout,
    Linear,
    LayerNorm,
)
from typing import Optional, Any


class Transformer(Module):
    r"""A transformer model. User is able to modify the attributes as needed. The architecture
    is based on the paper "Attention Is All You Need". Ashish Vaswani, Noam Shazeer,
    Niki Parmar, Jakob Uszkoreit, Llion Jones, Aidan N Gomez, Lukasz Kaiser, and
    Illia Polosukhin. 2017. Attention is all you need. In Advances in Neural Information
    Processing Systems, pages 6000-6010. Users can build the BERT(https://arxiv.org/abs/1810.04805)
    model with corresponding parameters.

    Args:
        d_model: the number of expected features in the encoder/decoder inputs (default=512).
        nhead: the number of heads in the multiheadattention models (default=8).
        num_encoder_layers: the number of sub-encoder-layers in the encoder (default=6).
        num_decoder_layers: the number of sub-decoder-layers in the decoder (default=6).
        dim_feedforward: the dimension of the feedforward network model (default=2048).
        dropout: the dropout value (default=0.1).
        activation: the activation function of encoder/decoder intermediate layer, relu or gelu (default=relu).
        custom_encoder: custom encoder (default=None).
        custom_decoder: custom decoder (default=None).

    Examples::
        >>> transformer_model = nn.Transformer(nhead=16, num_encoder_layers=12)
        >>> src = torch.rand((10, 32, 512))
        >>> tgt = torch.rand((20, 32, 512))
        >>> out = transformer_model(src, tgt)

    Note: A full example to apply nn.Transformer module for the word language model is available in
    https://github.com/pytorch/examples/tree/master/word_language_model
    """

    def __init__(
        self,
        d_model: int = 512,
        nhead: int = 8,
        num_encoder_layers: int = 6,
        num_decoder_layers: int = 6,
        dim_feedforward: int = 2048,
        dropout: float = 0.1,
        activation: str = "relu",
        custom_encoder: Optional[Any] = None,
        custom_decoder: Optional[Any] = None,
    ) -> None:

        super(Transformer, self).__init__()

        if custom_encoder is not None:
            self.encoder = custom_encoder
        else:
            encoder_layer = TransformerEncoderLayer(
                d_model, nhead, dim_feedforward, dropout, activation
            )
            encoder_norm = LayerNorm(d_model)
            self.encoder = TransformerEncoder(
                encoder_layer, num_encoder_layers, encoder_norm
            )

        if custom_decoder is not None:
            self.decoder = custom_decoder
        else:
            decoder_layer = TransformerDecoderLayer(
                d_model, nhead, dim_feedforward, dropout, activation
            )
            decoder_norm = LayerNorm(d_model)
            self.decoder = TransformerDecoder(
                decoder_layer, num_decoder_layers, decoder_norm
            )

        self.d_model = d_model
        self.nhead = nhead

    def forward(
        self,
        src: Tensor,
        tgt: Tensor,
        src_mask: Optional[Tensor] = None,
        tgt_mask: Optional[Tensor] = None,
        memory_mask: Optional[Tensor] = None,
        src_key_padding_mask: Optional[Tensor] = None,
        tgt_key_padding_mask: Optional[Tensor] = None,
        memory_key_padding_mask: Optional[Tensor] = None,
    ) -> Tensor:
        r"""Take in and process masked source/target sequences.

        Args:
            src: the sequence to the encoder (required).
            tgt: the sequence to the decoder (required).
            src_mask: the additive mask for the src sequence (optional).
            tgt_mask: the additive mask for the tgt sequence (optional).
            memory_mask: the additive mask for the encoder output (optional).
            src_key_padding_mask: the ByteTensor mask for src keys per batch (optional).
            tgt_key_padding_mask: the ByteTensor mask for tgt keys per batch (optional).
            memory_key_padding_mask: the ByteTensor mask for memory keys per batch (optional).

        Shape:
            - src: :math:`(S, N, E)`.
            - tgt: :math:`(T, N, E)`.
            - src_mask: :math:`(S, S)`.
            - tgt_mask: :math:`(T, T)`.
            - memory_mask: :math:`(T, S)`.
            - src_key_padding_mask: :math:`(N, S)`.
            - tgt_key_padding_mask: :math:`(N, T)`.
            - memory_key_padding_mask: :math:`(N, S)`.

            Note: [src/tgt/memory]_mask ensures 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``
            are not allowed to attend while ``False`` values will be unchanged. If a FloatTensor
            is provided, it will be added to the attention weight.
            [src/tgt/memory]_key_padding_mask provides specified elements in the key to be ignored by
            the attention. If a ByteTensor is provided, the non-zero positions will be ignored while 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.

            - output: :math:`(T, N, E)`.

            Note: Due to the multi-head attention architecture in the transformer model,
            the output sequence length of a transformer is same as the input sequence
            (i.e. target) length of the decode.

            where S is the source sequence length, T is the target sequence length, N is the
            batch size, E is the feature number

        Examples:
            >>> output = transformer_model(src, tgt, src_mask=src_mask, tgt_mask=tgt_mask)
        """

        if src.size(1) != tgt.size(1):
            raise RuntimeError("the batch number of src and tgt must be equal")

        if src.size(2) != self.d_model or tgt.size(2) != self.d_model:
            raise RuntimeError(
                "the feature number of src and tgt must be equal to d_model"
            )

        memory = self.encoder(
            src, mask=src_mask, src_key_padding_mask=src_key_padding_mask
        )
        output = self.decoder(
            tgt,
            memory,
            tgt_mask=tgt_mask,
            memory_mask=memory_mask,
            tgt_key_padding_mask=tgt_key_padding_mask,
            memory_key_padding_mask=memory_key_padding_mask,
        )
        return output

    def generate_square_subsequent_mask(self, sz: int) -> Tensor:
        r"""Generate a square mask for the sequence. The masked positions are filled with float('-inf').
        Unmasked positions are filled with float(0.0).
        """
        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 init_weights(self):
        initrange = 0.1
        nn.init.uniform_(self.encoder.weight, -initrange, initrange)
        nn.init.zeros_(self.decoder.weight)
        nn.init.uniform_(self.decoder.weight, -initrange, initrange)


class TransformerEncoder(Module):
    r"""TransformerEncoder is a stack of N encoder layers

    Args:
        encoder_layer: an instance of the TransformerEncoderLayer() class (required).
        num_layers: the number of sub-encoder-layers in the encoder (required).
        norm: the layer normalization component (optional).

    Examples::
        >>> encoder_layer = nn.TransformerEncoderLayer(d_model=512, nhead=8)
        >>> transformer_encoder = nn.TransformerEncoder(encoder_layer, num_layers=6)
        >>> src = torch.rand(10, 32, 512)
        >>> out = transformer_encoder(src)
    """
    __constants__ = ["norm"]

    def __init__(self, encoder_layer, num_layers, norm=None):
        super(TransformerEncoder, self).__init__()
        self.layers = _get_clones(encoder_layer, num_layers)
        self.num_layers = num_layers
        self.norm = norm

    def forward(
        self,
        src: Tensor,
        mask: Optional[Tensor] = None,
        src_key_padding_mask: Optional[Tensor] = None,
    ) -> Tensor:
        r"""Pass the input through the encoder layers in turn.

        Args:
            src: the sequence to the encoder (required).
            mask: the mask for the src sequence (optional).
            src_key_padding_mask: the mask for the src keys per batch (optional).

        Shape:
            see the docs in Transformer class.
        """
        output = src

        for mod in self.layers:
            output = mod(
                output, src_mask=mask, src_key_padding_mask=src_key_padding_mask
            )

        if self.norm is not None:
            output = self.norm(output)

        return output


class TransformerDecoder(Module):
    r"""TransformerDecoder is a stack of N decoder layers

    Args:
        decoder_layer: an instance of the TransformerDecoderLayer() class (required).
        num_layers: the number of sub-decoder-layers in the decoder (required).
        norm: the layer normalization component (optional).

    Examples::
        >>> decoder_layer = nn.TransformerDecoderLayer(d_model=512, nhead=8)
        >>> transformer_decoder = nn.TransformerDecoder(decoder_layer, num_layers=6)
        >>> memory = torch.rand(10, 32, 512)
        >>> tgt = torch.rand(20, 32, 512)
        >>> out = transformer_decoder(tgt, memory)
    """
    __constants__ = ["norm"]

    def __init__(self, decoder_layer, num_layers, norm=None):
        super(TransformerDecoder, self).__init__()
        self.layers = _get_clones(decoder_layer, num_layers)
        self.num_layers = num_layers
        self.norm = norm

    def forward(
        self,
        tgt: Tensor,
        memory: Tensor,
        tgt_mask: Optional[Tensor] = None,
        memory_mask: Optional[Tensor] = None,
        tgt_key_padding_mask: Optional[Tensor] = None,
        memory_key_padding_mask: Optional[Tensor] = None,
    ) -> Tensor:
        r"""Pass the inputs (and mask) through the decoder layer in turn.

        Args:
            tgt: the sequence to the decoder (required).
            memory: the sequence from the last layer of the encoder (required).
            tgt_mask: the mask for the tgt sequence (optional).
            memory_mask: the mask for the memory sequence (optional).
            tgt_key_padding_mask: the mask for the tgt keys per batch (optional).
            memory_key_padding_mask: the mask for the memory keys per batch (optional).

        Shape:
            see the docs in Transformer class.
        """
        output = tgt

        for mod in self.layers:
            output = mod(
                output,
                memory,
                tgt_mask=tgt_mask,
                memory_mask=memory_mask,
                tgt_key_padding_mask=tgt_key_padding_mask,
                memory_key_padding_mask=memory_key_padding_mask,
            )

        if self.norm is not None:
            output = self.norm(output)

        return output


class TransformerEncoderLayer(Module):
    r"""TransformerEncoderLayer is made up of self-attn and feedforward network.
    This standard encoder layer is based on the paper "Attention Is All You Need".
    Ashish Vaswani, Noam Shazeer, Niki Parmar, Jakob Uszkoreit, Llion Jones, Aidan N Gomez,
    Lukasz Kaiser, and Illia Polosukhin. 2017. Attention is all you need. In Advances in
    Neural Information Processing Systems, pages 6000-6010. Users may modify or implement
    in a different way during application.

    Args:
        d_model: the number of expected features in the input (required).
        nhead: the number of heads in the multiheadattention models (required).
        dim_feedforward: the dimension of the feedforward network model (default=2048).
        dropout: the dropout value (default=0.1).
        activation: the activation function of intermediate layer, relu or gelu (default=relu).

    Examples::
        >>> encoder_layer = nn.TransformerEncoderLayer(d_model=512, nhead=8)
        >>> src = torch.rand(10, 32, 512)
        >>> out = encoder_layer(src)
    """

    def __init__(
        self, d_model, nhead, dim_feedforward=2048, dropout=0.1, activation="relu"
    ):
        super(TransformerEncoderLayer, self).__init__()
        self.self_attn = MultiheadAttention(d_model, nhead, dropout=dropout)
        # Implementation of Feedforward model
        self.linear1 = Linear(d_model, dim_feedforward)
        self.dropout = Dropout(dropout)
        self.linear2 = Linear(dim_feedforward, d_model)

        self.norm1 = LayerNorm(d_model)
        self.norm2 = LayerNorm(d_model)
        self.dropout1 = Dropout(dropout)
        self.dropout2 = Dropout(dropout)

        self.activation = _get_activation_fn(activation)

    def __setstate__(self, state):
        if "activation" not in state:
            state["activation"] = F.relu
        super(TransformerEncoderLayer, self).__setstate__(state)

    def forward(
        self,
        src: Tensor,
        src_mask: Optional[Tensor] = None,
        src_key_padding_mask: Optional[Tensor] = None,
    ) -> Tensor:
        r"""Pass the input through the encoder layer.

        Args:
            src: the sequence to the encoder layer (required).
            src_mask: the mask for the src sequence (optional).
            src_key_padding_mask: the mask for the src keys per batch (optional).

        Shape:
            see the docs in Transformer class.
        """
        src2 = self.self_attn(
            src, src, src, attn_mask=src_mask, key_padding_mask=src_key_padding_mask
        )[0]
        src = src + self.dropout1(src2)
        src = self.norm1(src)
        src2 = self.linear2(self.dropout(self.activation(self.linear1(src))))
        src = src + self.dropout2(src2)
        src = self.norm2(src)
        return src


class TransformerDecoderLayer(Module):
    r"""TransformerDecoderLayer is made up of self-attn, multi-head-attn and feedforward network.
    This standard decoder layer is based on the paper "Attention Is All You Need".
    Ashish Vaswani, Noam Shazeer, Niki Parmar, Jakob Uszkoreit, Llion Jones, Aidan N Gomez,
    Lukasz Kaiser, and Illia Polosukhin. 2017. Attention is all you need. In Advances in
    Neural Information Processing Systems, pages 6000-6010. Users may modify or implement
    in a different way during application.

    Args:
        d_model: the number of expected features in the input (required).
        nhead: the number of heads in the multiheadattention models (required).
        dim_feedforward: the dimension of the feedforward network model (default=2048).
        dropout: the dropout value (default=0.1).
        activation: the activation function of intermediate layer, relu or gelu (default=relu).

    Examples::
        >>> decoder_layer = nn.TransformerDecoderLayer(d_model=512, nhead=8)
        >>> memory = torch.rand(10, 32, 512)
        >>> tgt = torch.rand(20, 32, 512)
        >>> out = decoder_layer(tgt, memory)
    """

    def __init__(
        self, d_model, nhead, dim_feedforward=2048, dropout=0.1, activation="relu"
    ):
        super(TransformerDecoderLayer, self).__init__()
        self.self_attn = MultiheadAttention(d_model, nhead, dropout=dropout)
        self.multihead_attn = MultiheadAttention(d_model, nhead, dropout=dropout)
        # Implementation of Feedforward model
        self.linear1 = Linear(d_model, dim_feedforward)
        self.dropout = Dropout(dropout)
        self.linear2 = Linear(dim_feedforward, d_model)

        self.norm1 = LayerNorm(d_model)
        self.norm2 = LayerNorm(d_model)
        self.norm3 = LayerNorm(d_model)
        self.dropout1 = Dropout(dropout)
        self.dropout2 = Dropout(dropout)
        self.dropout3 = Dropout(dropout)

        self.activation = _get_activation_fn(activation)

    def __setstate__(self, state):
        if "activation" not in state:
            state["activation"] = F.relu
        super(TransformerDecoderLayer, self).__setstate__(state)

    def forward(
        self,
        tgt: Tensor,
        memory: Tensor,
        tgt_mask: Optional[Tensor] = None,
        memory_mask: Optional[Tensor] = None,
        tgt_key_padding_mask: Optional[Tensor] = None,
        memory_key_padding_mask: Optional[Tensor] = None,
    ) -> Tensor:
        r"""Pass the inputs (and mask) through the decoder layer.

        Args:
            tgt: the sequence to the decoder layer (required).
            memory: the sequence from the last layer of the encoder (required).
            tgt_mask: the mask for the tgt sequence (optional).
            memory_mask: the mask for the memory sequence (optional).
            tgt_key_padding_mask: the mask for the tgt keys per batch (optional).
            memory_key_padding_mask: the mask for the memory keys per batch (optional).

        Shape:
            see the docs in Transformer class.
        """
        tgt2 = self.self_attn(
            tgt, tgt, tgt, attn_mask=tgt_mask, key_padding_mask=tgt_key_padding_mask
        )[0]
        tgt = tgt + self.dropout1(tgt2)
        tgt = self.norm1(tgt)
        tgt2 = self.multihead_attn(
            tgt,
            memory,
            memory,
            attn_mask=memory_mask,
            key_padding_mask=memory_key_padding_mask,
        )[0]
        tgt = tgt + self.dropout2(tgt2)
        tgt = self.norm2(tgt)
        tgt2 = self.linear2(self.dropout(self.activation(self.linear1(tgt))))
        tgt = tgt + self.dropout3(tgt2)
        tgt = self.norm3(tgt)
        return tgt


def _get_clones(module, N):
    r"""Helper function to return the necessary activation for the model

    Args:
        module: Module to be replicated
        N: Number of times the module is to be replicated
    """
    return ModuleList([copy.deepcopy(module) for i in range(N)])


def _get_activation_fn(activation):
    r"""Helper function to return the necessary activation for the model

    Args:
        activation: name of activation function
    """
    if activation == "relu":
        return F.relu
    elif activation == "elu":
        return F.elu
    elif activation == "gelu":
        return F.gelu

    raise RuntimeError("activation should be relu/elu/gelu, not {}".format(activation))


class PositionalEncoding(nn.Module):
    r"""Positional Encoding layer is made up of sinusoidal encoding mechanisms.
    This standard positional encoding is based on the paper "Attention Is All You Need".
    Ashish Vaswani, Noam Shazeer, Niki Parmar, Jakob Uszkoreit, Llion Jones, Aidan N Gomez,
    Lukasz Kaiser, and Illia Polosukhin. 2017. Attention is all you need. In Advances in
    Neural Information Processing Systems, pages 6000-6010. Users may modify or implement
    in a different way during application.

    Args:
        d_model: the number of expected features in the input (required).
        dropout: the dropout value (default=0.2).
        max_len: maximum token length (default=5000).
    """

    def __init__(self, d_model, dropout=0.2, max_len=5000):
        super(PositionalEncoding, self).__init__()
        self.dropout = nn.Dropout(p=dropout)

        pe = torch.zeros(max_len, d_model)
        position = torch.arange(0, max_len, dtype=torch.float).unsqueeze(1)
        div_term = torch.exp(
            torch.arange(0, d_model, 2).float() * (-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).transpose(0, 1)
        self.register_buffer("pe", pe)

    def forward(self, x):
        r"""Calculates the positional encoding for input tensor in the forward pass
        Args:
            x: input tensor
        """
        x = x + self.pe[: x.size(0), :]
        return self.dropout(x)