mtransformer.py

import copy
import imp
from typing import Optional, Any, Union, Callable

import torch
from torch import Tensor
from torch.nn import functional as F
from torch.nn import Module
from torch.nn import ModuleList
from torch.nn.init import xavier_uniform_
from torch.nn import Dropout
from torch.nn import Linear
from torch.nn import LayerNorm
from multihead_attention import MultiHeadAttention
from multilinear_attention import MultiLinearAttention

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, can be a string
            ("relu" or "gelu") or a unary callable. Default: relu
        custom_encoder: custom encoder (default=None).
        custom_decoder: custom decoder (default=None).
        layer_norm_eps: the eps value in layer normalization components (default=1e-5).
        batch_first: If ``True``, then the input and output tensors are provided
            as (batch, seq, feature). Default: ``False`` (seq, batch, feature).
        norm_first: if ``True``, encoder and decoder layers will perform LayerNorms before
            other attention and feedforward operations, otherwise after. Default: ``False`` (after).

    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: Union[str, Callable[[Tensor], Tensor]] = F.relu,
                 custom_encoder: Optional[Any] = None, custom_decoder: Optional[Any] = None,
                 layer_norm_eps: float = 1e-5, batch_first: bool = False, norm_first: bool = False,
                 device=None, dtype=None) -> None:
        factory_kwargs = {'device': device, 'dtype': dtype}
        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, layer_norm_eps, batch_first, norm_first,
                                                    **factory_kwargs)
            encoder_norm = LayerNorm(d_model, eps=layer_norm_eps, **factory_kwargs)
            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, layer_norm_eps, batch_first, norm_first,
                                                    **factory_kwargs)
            decoder_norm = LayerNorm(d_model, eps=layer_norm_eps, **factory_kwargs)
            self.decoder = TransformerDecoder(decoder_layer, num_decoder_layers, decoder_norm)

        self._reset_parameters()

        self.d_model = d_model
        self.nhead = nhead

        self.batch_first = batch_first

    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, E)` for unbatched input, :math:`(S, N, E)` if `batch_first=False` or
              `(N, S, E)` if `batch_first=True`.
            - tgt: :math:`(T, E)` for unbatched input, :math:`(T, N, E)` if `batch_first=False` or
              `(N, T, E)` if `batch_first=True`.
            - src_mask: :math:`(S, S)`.
            - tgt_mask: :math:`(T, T)`.
            - memory_mask: :math:`(T, S)`.
            - src_key_padding_mask: :math:`(S)` for unbatched input otherwise :math:`(N, S)`.
            - tgt_key_padding_mask: :math:`(T)` for unbatched input otherwise :math:`(N, T)`.
            - memory_key_padding_mask: :math:`(S)` for unbatched input otherwise :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, E)` for unbatched input, :math:`(T, N, E)` if `batch_first=False` or
              `(N, T, E)` if `batch_first=True`.

            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)
        """

        is_batched = src.dim() == 3
        if not self.batch_first and src.size(1) != tgt.size(1) and is_batched:
            raise RuntimeError("the batch number of src and tgt must be equal")
        elif self.batch_first and src.size(0) != tgt.size(0) and is_batched:
            raise RuntimeError("the batch number of src and tgt must be equal")

        if src.size(-1) != self.d_model or tgt.size(-1) != 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

    @staticmethod
    def generate_square_subsequent_mask(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).
        """
        return torch.triu(torch.full((sz, sz), float('-inf')), diagonal=1)

    def _reset_parameters(self):
        r"""Initiate parameters in the transformer model."""

        for p in self.parameters():
            if p.dim() > 1:
                xavier_uniform_(p)


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 the intermediate layer, can be a string
            ("relu" or "gelu") or a unary callable. Default: relu
        layer_norm_eps: the eps value in layer normalization components (default=1e-5).
        batch_first: If ``True``, then the input and output tensors are provided
            as (batch, seq, feature). Default: ``False`` (seq, batch, feature).
        norm_first: if ``True``, layer norm is done prior to attention and feedforward
            operations, respectivaly. Otherwise it's done after. Default: ``False`` (after).

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

    Alternatively, when ``batch_first`` is ``True``:
        >>> encoder_layer = nn.TransformerEncoderLayer(d_model=512, nhead=8, batch_first=True)
        >>> src = torch.rand(32, 10, 512)
        >>> out = encoder_layer(src)
    """
    __constants__ = ['batch_first', 'norm_first']

    def __init__(self, d_model: int, nhead: int, dim_feedforward: int = 2048, dropout: float = 0.1,
                 activation: Union[str, Callable[[Tensor], Tensor]] = F.relu,
                 layer_norm_eps: float = 1e-5, batch_first: bool = False, norm_first: bool = False,
                 device=None, dtype=None, atten_type='multihead', d_k: int = 40, d_v:int = 40) -> None:
        factory_kwargs = {'device': device, 'dtype': dtype}
        super(TransformerEncoderLayer, self).__init__()
        # here
        if atten_type == 'multilinear':
            self.self_attn = MultiLinearAttention(n_head=nhead, d_model=d_model, d_k=d_k, d_v=d_v, dropout=dropout)
        else:
            self.self_attn = MultiHeadAttention(n_head=nhead, d_model=d_model, d_k=d_k, d_v=d_v, dropout=dropout)

        # Implementation of Feedforward model
        self.linear1 = Linear(d_model, dim_feedforward, **factory_kwargs)
        self.dropout = Dropout(dropout)
        self.linear2 = Linear(dim_feedforward, d_model, **factory_kwargs)

        self.norm_first = norm_first
        self.norm1 = LayerNorm(d_model, eps=layer_norm_eps, **factory_kwargs)
        self.norm2 = LayerNorm(d_model, eps=layer_norm_eps, **factory_kwargs)
        self.dropout1 = Dropout(dropout)
        self.dropout2 = Dropout(dropout)

        # Legacy string support for activation function.
        if isinstance(activation, str):
            self.activation = _get_activation_fn(activation)
        else:
            self.activation = 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.
        """

        # see Fig. 1 of https://arxiv.org/pdf/2002.04745v1.pdf

        x = src
        if self.norm_first:
            x = x + self._sa_block(self.norm1(x), src_mask, src_key_padding_mask)
            x = x + self._ff_block(self.norm2(x))
        else:
            x = self.norm1(x + self._sa_block(x, src_mask, src_key_padding_mask))
            x = self.norm2(x + self._ff_block(x))

        return x

    # self-attention block
    def _sa_block(self, x: Tensor,
                  attn_mask: Optional[Tensor], key_padding_mask: Optional[Tensor]) -> Tensor:
        x = self.self_attn(x, x, x,
                           attn_mask=attn_mask,
                        #    key_padding_mask=key_padding_mask,
                        #    need_weights=False
                           )[0] 
        return self.dropout1(x)

    # feed forward block
    def _ff_block(self, x: Tensor) -> Tensor:
        x = self.linear2(self.dropout(self.activation(self.linear1(x))))
        return self.dropout2(x)


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 the intermediate layer, can be a string
            ("relu" or "gelu") or a unary callable. Default: relu
        layer_norm_eps: the eps value in layer normalization components (default=1e-5).
        batch_first: If ``True``, then the input and output tensors are provided
            as (batch, seq, feature). Default: ``False`` (seq, batch, feature).
        norm_first: if ``True``, layer norm is done prior to self attention, multihead
            attention and feedforward operations, respectivaly. Otherwise it's done after.
            Default: ``False`` (after).

    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)

    Alternatively, when ``batch_first`` is ``True``:
        >>> decoder_layer = nn.TransformerDecoderLayer(d_model=512, nhead=8, batch_first=True)
        >>> memory = torch.rand(32, 10, 512)
        >>> tgt = torch.rand(32, 20, 512)
        >>> out = decoder_layer(tgt, memory)
    """
    __constants__ = ['batch_first', 'norm_first']

    def __init__(self, d_model: int, nhead: int, dim_feedforward: int = 2048, dropout: float = 0.1,
                 activation: Union[str, Callable[[Tensor], Tensor]] = F.relu,
                 layer_norm_eps: float = 1e-5, batch_first: bool = False, norm_first: bool = False,
                 device=None, dtype=None, atten_type='multihead') -> None:
        factory_kwargs = {'device': device, 'dtype': dtype}
        super(TransformerDecoderLayer, self).__init__()
        # here
        if atten_type == 'multilinear':
            self.self_attn = MultiLinearAttention(n_head=nhead, d_model=d_model, d_k=d_model, d_v=d_model, dropout=dropout)
        else:
            self.self_attn = MultiHeadAttention(n_head=nhead, d_model=d_model, d_k=d_model, d_v=d_model, dropout=dropout)
            # self.self_attn = MultiheadAttention(d_model, nhead, dropout=dropout, batch_first=batch_first,**factory_kwargs)
        # Implementation of Feedforward model
        self.linear1 = Linear(d_model, dim_feedforward, **factory_kwargs)
        self.dropout = Dropout(dropout)
        self.linear2 = Linear(dim_feedforward, d_model, **factory_kwargs)

        self.norm_first = norm_first
        self.norm1 = LayerNorm(d_model, eps=layer_norm_eps, **factory_kwargs)
        self.norm2 = LayerNorm(d_model, eps=layer_norm_eps, **factory_kwargs)
        self.norm3 = LayerNorm(d_model, eps=layer_norm_eps, **factory_kwargs)
        self.dropout1 = Dropout(dropout)
        self.dropout2 = Dropout(dropout)
        self.dropout3 = Dropout(dropout)

        # Legacy string support for activation function.
        if isinstance(activation, str):
            self.activation = _get_activation_fn(activation)
        else:
            self.activation = 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.
        """
        # see Fig. 1 of https://arxiv.org/pdf/2002.04745v1.pdf

        x = tgt
        if self.norm_first:
            x = x + self._sa_block(self.norm1(x), tgt_mask, tgt_key_padding_mask)
            x = x + self._mha_block(self.norm2(x), memory, memory_mask, memory_key_padding_mask)
            x = x + self._ff_block(self.norm3(x))
        else:
            x = self.norm1(x + self._sa_block(x, tgt_mask, tgt_key_padding_mask))
            x = self.norm2(x + self._mha_block(x, memory, memory_mask, memory_key_padding_mask))
            x = self.norm3(x + self._ff_block(x))

        return x

    # self-attention block
    def _sa_block(self, x: Tensor,
                  attn_mask: Optional[Tensor], key_padding_mask: Optional[Tensor]) -> Tensor:
        x = self.self_attn(x, x, x,
                           attn_mask=attn_mask,
                           key_padding_mask=key_padding_mask,
                           need_weights=False)[0]
        return self.dropout1(x)

    # multihead attention block
    def _mha_block(self, x: Tensor, mem: Tensor,
                   attn_mask: Optional[Tensor], key_padding_mask: Optional[Tensor]) -> Tensor:
        x = self.multihead_attn(x, mem, mem,
                                attn_mask=attn_mask,
                                key_padding_mask=key_padding_mask,
                                need_weights=False)[0]
        return self.dropout2(x)

    # feed forward block
    def _ff_block(self, x: Tensor) -> Tensor:
        x = self.linear2(self.dropout(self.activation(self.linear1(x))))
        return self.dropout3(x)


def _get_clones(module, N):
    return ModuleList([copy.deepcopy(module) for i in range(N)])


def _get_activation_fn(activation):
    if activation == "relu":
        return F.relu
    elif activation == "gelu":
        return F.gelu

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