easy_rec/python/layers/keras/multi_head_attention.py (396 lines of code) (raw):

# -*- encoding:utf-8 -*- # Copyright (c) Alibaba, Inc. and its affiliates. import math import string import numpy as np import tensorflow as tf from tensorflow.python.keras import constraints from tensorflow.python.keras import initializers from tensorflow.python.keras import regularizers from tensorflow.python.keras.layers import Dropout from tensorflow.python.keras.layers import Layer from tensorflow.python.keras.layers import Softmax from easy_rec.python.layers.keras.activation import MaskedSoftmax from easy_rec.python.layers.keras.einsum_dense import EinsumDense class MultiHeadAttention(Layer): """MultiHeadAttention layer. This is an implementation of multi-headed attention as described in the paper "Attention is all you Need" [Vaswani et al., 2017](https://arxiv.org/abs/1706.03762). If `query`, `key,` `value` are the same, then this is self-attention. Each time step in `query` attends to the corresponding sequence in `key`, and returns a fixed-width vector. This layer first projects `query`, `key` and `value`. These are (effectively) a list of tensors of length `num_attention_heads`, where the corresponding shapes are `(batch_size, <query dimensions>, key_dim)`, `(batch_size, <key/value dimensions>, key_dim)`, `(batch_size, <key/value dimensions>, value_dim)`. Then, the query and key tensors are dot-producted and scaled. These are softmaxed to obtain attention probabilities. The value tensors are then interpolated by these probabilities, then concatenated back to a single tensor. Finally, the result tensor with the last dimension as `value_dim` can take a linear projection and return. Args: num_heads: Number of attention heads. key_dim: Size of each attention head for query and key. value_dim: Size of each attention head for value. dropout: Dropout probability. use_bias: Boolean, whether the dense layers use bias vectors/matrices. output_shape: The expected shape of an output tensor, besides the batch and sequence dims. If not specified, projects back to the query feature dim (the query input's last dimension). attention_axes: axes over which the attention is applied. `None` means attention over all axes, but batch, heads, and features. kernel_initializer: Initializer for dense layer kernels. bias_initializer: Initializer for dense layer biases. kernel_regularizer: Regularizer for dense layer kernels. bias_regularizer: Regularizer for dense layer biases. activity_regularizer: Regularizer for dense layer activity. kernel_constraint: Constraint for dense layer kernels. bias_constraint: Constraint for dense layer kernels. use_causal_mask: A boolean to indicate whether to apply a causal mask to prevent tokens from attending to future tokens (e.g., used in a decoder Transformer). return_attention_scores: A boolean to indicate whether the output should be `(attention_output, attention_scores)` if `True`, or `attention_output` if `False`. Defaults to `False`. Call arguments: query: Query tensor of shape `(B, T, dim)`, where `B` is the batch size, `T` is the target sequence length, and dim is the feature dimension. value: Value tensor of shape `(B, S, dim)`, where `B` is the batch size, `S` is the source sequence length, and dim is the feature dimension. key: Optional key tensor of shape `(B, S, dim)`. If not given, will use `value` for both `key` and `value`, which is the most common case. attention_mask: a boolean mask of shape `(B, T, S)`, that prevents attention to certain positions. The boolean mask specifies which query elements can attend to which key elements, 1 indicates attention and 0 indicates no attention. Broadcasting can happen for the missing batch dimensions and the head dimension. training: Python boolean indicating whether the layer should behave in training mode (adding dropout) or in inference mode (no dropout). Will go with either using the training mode of the parent layer/model, or `False` (inference) if there is no parent layer. Returns: attention_output: The result of the computation, of shape `(B, T, E)`, where `T` is for target sequence shapes and `E` is the query input last dimension if `output_shape` is `None`. Otherwise, the multi-head outputs are projected to the shape specified by `output_shape`. attention_scores: (Optional) multi-head attention coefficients over attention axes. """ def __init__(self, params, name='multi_head_attention', reuse=None, **kwargs): super(MultiHeadAttention, self).__init__(name=name, **kwargs) self.supports_masking = True self._num_heads = params.num_heads self._key_dim = params.key_dim # Cache 1.0 / math.sqrt(self._key_dim). self._inverse_sqrt_key_dim = None value_dim = params.get_or_default('value_dim', None) self._value_dim = value_dim if value_dim else self._key_dim self._dropout = params.get_or_default('dropout', 0.0) self._use_bias = params.get_or_default('use_bias', True) self._output_shape = params.get_or_default('output_shape', None) self._kernel_initializer = initializers.get( params.get_or_default('kernel_initializer', 'glorot_uniform')) self._bias_initializer = initializers.get( params.get_or_default('bias_initializer', 'zeros')) self._kernel_regularizer = regularizers.get( params.get_or_default('kernel_regularizer', None)) self._bias_regularizer = regularizers.get( params.get_or_default('bias_regularizer', None)) self._activity_regularizer = regularizers.get( params.get_or_default('activity_regularizer', None)) self._kernel_constraint = constraints.get( params.get_or_default('kernel_constraint', None)) self._bias_constraint = constraints.get( params.get_or_default('bias_constraint', None)) self._attention_axes = params.get_or_default('attention_axes', None) self._use_causal_mask = params.get_or_default('use_causal_mask', False) self._return_attention_scores = params.get_or_default( 'return_attention_scores', False) @property def num_heads(self): return self._num_heads @property def key_dim(self): return self._key_dim @property def value_dim(self): return self._value_dim @property def dropout(self): return self._dropout @property def use_bias(self): return self._use_bias @property def output_shape(self): return self._output_shape @property def attention_axes(self): return self._attention_axes def get_config(self): base_config = super(MultiHeadAttention, self).get_config() config = { 'num_heads': self._num_heads, 'key_dim': self._key_dim, 'value_dim': self._value_dim, 'dropout': self._dropout, 'use_bias': self._use_bias, 'output_shape': self._output_shape, 'attention_axes': self._attention_axes, 'kernel_initializer': initializers.serialize(self._kernel_initializer), 'bias_initializer': initializers.serialize(self._bias_initializer), 'kernel_regularizer': regularizers.serialize(self._kernel_regularizer), 'bias_regularizer': regularizers.serialize(self._bias_regularizer), 'activity_regularizer': regularizers.serialize(self._activity_regularizer), 'kernel_constraint': constraints.serialize(self._kernel_constraint), 'bias_constraint': constraints.serialize(self._bias_constraint), } config.update(base_config) return config def build(self, input_shape): """Builds layers and variables.""" if len(input_shape) == 3: query_shape, value_shape, key_shape = input_shape elif len(input_shape) == 2: query_shape, value_shape = input_shape key_shape = None else: raise ValueError('invalid input shape of MultiHeadAttention') key_shape = value_shape if key_shape is None else key_shape query_rank = len(query_shape) value_rank = len(value_shape) key_rank = len(key_shape) einsum_equation, bias_axes, output_rank = _build_proj_equation( query_rank - 1, bound_dims=1, output_dims=2) self._query_dense = EinsumDense( einsum_equation, output_shape=_get_output_shape(output_rank - 1, [self._num_heads, self._key_dim]), bias_axes=bias_axes if self._use_bias else None, name='query', **self._get_common_kwargs_for_sublayer()) self._query_dense.build(query_shape) einsum_equation, bias_axes, output_rank = _build_proj_equation( key_rank - 1, bound_dims=1, output_dims=2) self._key_dense = EinsumDense( einsum_equation, output_shape=_get_output_shape(output_rank - 1, [self._num_heads, self._key_dim]), bias_axes=bias_axes if self._use_bias else None, name='key', **self._get_common_kwargs_for_sublayer()) self._key_dense.build(key_shape) einsum_equation, bias_axes, output_rank = _build_proj_equation( value_rank - 1, bound_dims=1, output_dims=2) self._value_dense = EinsumDense( einsum_equation, output_shape=_get_output_shape(output_rank - 1, [self._num_heads, self._value_dim]), bias_axes=bias_axes if self._use_bias else None, name='value', **self._get_common_kwargs_for_sublayer()) self._value_dense.build(value_shape) # Builds the attention computations for multi-head dot product # attention. These computations could be wrapped into the keras # attention layer once it supports multi-head einsum computations. self._build_attention(output_rank) self._output_dense = self._make_output_dense( query_shape, self._get_common_kwargs_for_sublayer(), 'attention_output', ) output_dense_input_shape = list( self._query_dense.compute_output_shape(query_shape)) output_dense_input_shape[-1] = self._value_dim self._output_dense.build(tuple(output_dense_input_shape)) self.built = True print('MultiHeadAttention (%s) built' % self.name) @property def query_dense(self): return self._query_dense @property def key_dense(self): return self._key_dense @property def value_dense(self): return self._value_dense @property def output_dense(self): return self._output_dense def _get_common_kwargs_for_sublayer(self): common_kwargs = dict( kernel_regularizer=self._kernel_regularizer, bias_regularizer=self._bias_regularizer, activity_regularizer=self._activity_regularizer, kernel_constraint=self._kernel_constraint, bias_constraint=self._bias_constraint, dtype=tf.float32, ) # Create new clone of kernel/bias initializer, so that we don't reuse # the initializer instance, which could lead to same init value since # initializer is stateless. kernel_initializer = self._kernel_initializer.__class__.from_config( self._kernel_initializer.get_config()) bias_initializer = self._bias_initializer.__class__.from_config( self._bias_initializer.get_config()) common_kwargs['kernel_initializer'] = kernel_initializer common_kwargs['bias_initializer'] = bias_initializer return common_kwargs def _make_output_dense(self, query_shape, common_kwargs, name=None): """Builds the output projection matrix. Args: query_shape: query tensor shape common_kwargs: Common keyword arguments for einsum layer. name: Name for the projection layer. Returns: Projection layer. """ query_rank = len(query_shape) if self._output_shape: if hasattr(self._output_shape, '__len__'): output_shape = self._output_shape else: output_shape = [self._output_shape] else: output_shape = [query_shape[-1]] einsum_equation, bias_axes, output_rank = _build_proj_equation( query_rank - 1, bound_dims=2, output_dims=len(output_shape)) return EinsumDense( einsum_equation, output_shape=_get_output_shape(output_rank - 1, output_shape), bias_axes=bias_axes if self._use_bias else None, name=name, **common_kwargs) def _build_attention(self, rank): """Builds multi-head dot-product attention computations. This function builds attributes necessary for `_compute_attention` to customize attention computation to replace the default dot-product attention. Args: rank: the rank of query, key, value tensors. """ if self._attention_axes is None: self._attention_axes = tuple(range(1, rank - 2)) else: self._attention_axes = tuple(self._attention_axes) ( self._dot_product_equation, self._combine_equation, attn_scores_rank, ) = _build_attention_equation( rank, attn_axes=self._attention_axes) norm_axes = tuple( range(attn_scores_rank - len(self._attention_axes), attn_scores_rank)) self._softmax = Softmax( axis=norm_axes) if tf.__version__ >= '2.0' else MaskedSoftmax( axis=norm_axes) self._dropout_layer = Dropout(rate=self._dropout) self._inverse_sqrt_key_dim = 1.0 / math.sqrt(float(self._key_dim)) def _masked_softmax(self, attention_scores, attention_mask=None): # Normalize the attention scores to probabilities. # attention_scores = [B, N, T, S] if attention_mask is not None: # The expand dim happens starting from the `num_heads` dimension, # (<batch_dims>, num_heads, <query_attention_dims, # key_attention_dims>) mask_expansion_axis = -len(self._attention_axes) * 2 - 1 for _ in range(len(attention_scores.shape) - len(attention_mask.shape)): attention_mask = tf.expand_dims( attention_mask, axis=mask_expansion_axis) return self._softmax(attention_scores, mask=attention_mask) def _compute_attention(self, query, key, value, attention_mask=None, training=None): """Applies Dot-product attention with query, key, value tensors. This function defines the computation inside `call` with projected multi-head Q, K, V inputs. Users can override this function for customized attention implementation. Args: query: Projected query tensor of shape `(B, T, N, key_dim)`. key: Projected key tensor of shape `(B, S, N, key_dim)`. value: Projected value tensor of shape `(B, S, N, value_dim)`. attention_mask: a boolean mask of shape `(B, T, S)`, that prevents attention to certain positions. It is generally not needed if the `query` and `value` (and/or `key`) are masked. training: Python boolean indicating whether the layer should behave in training mode (adding dropout) or in inference mode (doing nothing). Returns: attention_output: Multi-headed outputs of attention computation. attention_scores: Multi-headed attention weights. """ # Note: Applying scalar multiply at the smaller end of einsum improves # XLA performance, but may introduce slight numeric differences in # the Transformer attention head. query = tf.multiply(query, tf.cast(self._inverse_sqrt_key_dim, query.dtype)) # Take the dot product between "query" and "key" to get the raw # attention scores. attention_scores = tf.einsum(self._dot_product_equation, key, query) attention_scores = self._masked_softmax(attention_scores, attention_mask) # This is actually dropping out entire tokens to attend to, which might # seem a bit unusual, but is taken from the original Transformer paper. if self.dropout: final_attn_scores = self._dropout_layer( attention_scores, training=training) else: final_attn_scores = attention_scores # `context_layer` = [B, T, N, H] attention_output = tf.einsum(self._combine_equation, final_attn_scores, value) return attention_output, attention_scores def call(self, inputs, mask=None, training=None, **kwargs): assert isinstance( inputs, (tuple, list)), 'inputs of MultiHeadAttention must be a list' query, value, key = (list(inputs) + [None] * 2)[:3] if key is None: key = value if mask is None: masks = [None] * 4 elif type(mask) in (list, tuple): masks = (list(mask) + [None] * 4)[:4] else: masks = ([mask] + [None] * 3)[:4] query_mask, value_mask, key_mask, attention_mask = masks if attention_mask is None and value_mask is None: value_mask = query_mask attention_mask = self._compute_attention_mask( query, value, query_mask=query_mask, value_mask=value_mask, key_mask=key_mask, attention_mask=attention_mask, use_causal_mask=self._use_causal_mask, ) # N = `num_attention_heads` # H = `size_per_head` # `query` = [B, T, N ,H] query = self._query_dense(query) # `key` = [B, S, N, H] key = self._key_dense(key) # `value` = [B, S, N, H] value = self._value_dense(value) attention_output, attention_scores = self._compute_attention( query, key, value, attention_mask, training) attention_output = self._output_dense(attention_output) if self._return_attention_scores: return attention_output, attention_scores return attention_output def _compute_attention_mask( self, query, value, query_mask=None, value_mask=None, key_mask=None, attention_mask=None, use_causal_mask=False, ): """Computes the attention mask, using the Keras masks of the inputs. * The `query`'s mask is reshaped from [B, T] to [B, T, 1]. * The `value`'s mask is reshaped from [B, S] to [B, 1, S]. * The `key`'s mask is reshaped from [B, S] to [B, 1, S]. The `key`'s mask is ignored if `key` is `None` or if `key is value`. * If `use_causal_mask=True`, then the causal mask is computed. Its shape is [1, T, S]. All defined masks are merged using a logical AND operation (`&`). In general, if the `query` and `value` are masked, then there is no need to define the `attention_mask`. Args: query: Projected query tensor of shape `(B, T, N, key_dim)`. value: Projected value tensor of shape `(B, T, N, value_dim)`. attention_mask: a boolean mask of shape `(B, T, S)`, that prevents attention to certain positions. use_causal_mask: A boolean to indicate whether to apply a causal mask to prevent tokens from attending to future tokens (e.g., used in a decoder Transformer). Returns: attention_mask: a boolean mask of shape `(B, T, S)`, that prevents attention to certain positions, based on the Keras masks of the `query`, `key`, `value`, and `attention_mask` tensors, and the causal mask if `use_causal_mask=True`. """ auto_mask = None if query_mask is not None: query_mask = tf.cast(query_mask, tf.bool) # defensive casting # B = batch size, T = max query length auto_mask = tf.expand_dims(query_mask, -1) # shape is [B, T, 1] if value_mask is not None: value_mask = tf.cast(value_mask, tf.bool) # defensive casting # B = batch size, S == max value length mask = tf.expand_dims(value_mask, -2) # shape is [B, 1, S] auto_mask = mask if auto_mask is None else auto_mask & mask if key_mask is not None: key_mask = tf.cast(key_mask, tf.bool) # defensive casting # B == batch size, S == max key length == max value length mask = tf.expand_dims(key_mask, -2) # shape is [B, 1, S] auto_mask = mask if auto_mask is None else auto_mask & mask if use_causal_mask: # the shape of the causal mask is [1, T, S] mask = self._compute_causal_mask(query, value) auto_mask = mask if auto_mask is None else auto_mask & mask if auto_mask is not None: # merge attention_mask & automatic mask, to shape [B, T, S] attention_mask = ( auto_mask if attention_mask is None else tf.cast(attention_mask, tf.bool) & auto_mask) return attention_mask def _compute_causal_mask(self, query, value=None): """Computes a causal mask (e.g., for masked self-attention layers). For example, if query and value both contain sequences of length 4, this function returns a boolean tensor equal to: ``` [[[True, False, False, False], [True, True, False, False], [True, True, True, False], [True, True, True, True]]] ``` Args: query: query tensor of shape `(B, T, ...)`. value: value tensor of shape `(B, S, ...)` (optional, defaults to query). Returns: mask: a boolean tensor of shape `(1, T, S)` containing a lower triangular matrix of shape `(T, S)`. """ q_seq_length = tf.shape(query)[1] v_seq_length = q_seq_length if value is None else tf.shape(value)[1] ones_mask = tf.ones((1, q_seq_length, v_seq_length), dtype='int32') row_index = tf.cumsum(ones_mask, axis=-2) col_index = tf.cumsum(ones_mask, axis=-1) return tf.greater_equal(row_index, col_index) def compute_output_shape(self, input_shape): if len(input_shape) == 3: query_shape, value_shape, key_shape = input_shape elif len(input_shape) == 2: query_shape, value_shape = input_shape key_shape = None else: raise ValueError('invalid input shape of MultiHeadAttention') if key_shape is None: key_shape = value_shape if query_shape[-1] != value_shape[-1]: raise ValueError( 'The last dimension of `query_shape` and `value_shape` ' 'must be equal, but are {query_last_dim}, {value_last_dim}. ' 'Received: query_shape={query_shape}, value_shape={value_shape}' .format( query_shape=query_shape, value_shape=value_shape, query_last_dim=query_shape[-1], value_last_dim=value_shape[-1])) if value_shape[1:-1] != key_shape[1:-1]: raise ValueError( 'All dimensions of `value` and `key`, except the last one, ' 'must be equal. Received: value_shape={value_shape} and ' 'key_shape={key_shape}'.format( key_shape=key_shape, value_shape=value_shape)) if self._output_shape: if hasattr(self._output_dense, '__len__'): return query_shape[:-1] + self._output_shape else: return query_shape[:-1] + [self._output_shape] return query_shape def _index_to_einsum_variable(i): """Coverts an index to a einsum variable name. We simply map indices to lowercase characters, e.g. 0 -> 'a', 1 -> 'b'. """ return string.ascii_lowercase[i] def _build_attention_equation(rank, attn_axes): """Builds einsum equations for the attention computation. Query, key, value inputs after projection are expected to have the shape as: `(bs, <non-attention dims>, <attention dims>, num_heads, channels)`. `bs` and `<non-attention dims>` are treated as `<batch dims>`. The attention operations can be generalized: 1. Query-key dot product: (<batch dims>, <query attention dims>, num_heads, channels), (<batch dims>, <key attention dims>, num_heads, channels) -> (<batch dims>, num_heads, <query attention dims>, <key attention dims>) 2. Combination: (<batch dims>, num_heads, <query attention dims>, <key attention dims>), (<batch dims>, <value attention dims>, num_heads, channels) -> (<batch dims>, <query attention dims>, num_heads, channels) Args: rank: Rank of query, key, value tensors. attn_axes: List/tuple of axes, `[-1, rank)`, that attention will be applied to. Returns: Einsum equations. """ target_notation = '' for i in range(rank): target_notation += _index_to_einsum_variable(i) # `batch_dims` includes the head dim. batch_dims = tuple(np.delete(range(rank), attn_axes + (rank - 1,))) letter_offset = rank source_notation = '' for i in range(rank): if i in batch_dims or i == rank - 1: source_notation += target_notation[i] else: source_notation += _index_to_einsum_variable(letter_offset) letter_offset += 1 product_notation = ''.join([target_notation[i] for i in batch_dims] + [target_notation[i] for i in attn_axes] + [source_notation[i] for i in attn_axes]) dot_product_equation = '%s,%s->%s' % ( source_notation, target_notation, product_notation, ) attn_scores_rank = len(product_notation) combine_equation = '%s,%s->%s' % ( product_notation, source_notation, target_notation, ) return dot_product_equation, combine_equation, attn_scores_rank def _build_proj_equation(free_dims, bound_dims, output_dims): """Builds an einsum equation for projections inside multi-head attention.""" input_str = '' kernel_str = '' output_str = '' bias_axes = '' letter_offset = 0 for i in range(free_dims): char = _index_to_einsum_variable(i + letter_offset) input_str += char output_str += char letter_offset += free_dims for i in range(bound_dims): char = _index_to_einsum_variable(i + letter_offset) input_str += char kernel_str += char letter_offset += bound_dims for i in range(output_dims): char = _index_to_einsum_variable(i + letter_offset) kernel_str += char output_str += char bias_axes += char equation = '{input_str},{kernel_str}->{output_str}'.format( input_str=input_str, kernel_str=kernel_str, output_str=output_str) return equation, bias_axes, len(output_str) def _get_output_shape(output_rank, known_last_dims): return [None] * (output_rank - len(known_last_dims)) + list(known_last_dims) # def __init__(self, params, name='multi_head_attention', reuse=None, **kwargs): # super(MultiHeadAttention, self).__init__(name=name, **kwargs) # self.num_heads = params.num_attention_heads # self.d_model = params.hidden_size # if self.d_model % self.num_heads != 0: # raise ValueError( # 'The hidden size (%d) is not a multiple of the number of attention ' # 'heads (%d)' % (self.d_model, self.num_heads)) # self.depth = self.d_model // self.num_heads # self.wq = Dense(self.d_model) # self.wk = Dense(self.d_model) # self.wv = Dense(self.d_model) # self.dense = Dense(self.d_model) # att_params = Parameter.make_from_pb(params.attention) # self.attention = Attention(att_params, 'scaled_dot_product_attention') # # # def split_heads(self, x, batch_size): # # x = tf.reshape(x, (batch_size, -1, self.num_heads, self.depth)) # # return tf.transpose(x, perm=[0, 2, 1, 3]) # # def call(self, inputs, training=None, **kwargs): # q, v, k, mask = inputs # batch_size = tf.shape(q)[0] # # q = self.wq(q) # k = self.wk(k) # v = self.wv(v) # # # q = self.split_heads(q, batch_size) # # k = self.split_heads(k, batch_size) # # v = self.split_heads(v, batch_size) # # attn = self.attention([q, v, k], mask=[mask, mask], training=training) # return_attn_score = self.attention.return_attention_scores # attention, attention_scores = attn if return_attn_score else attn, None # # # attention = tf.transpose(attention, perm=[0, 2, 1, 3]) # # attention = tf.reshape(attention, (batch_size, -1, self.d_model)) # output = self.dense(attention) # if return_attn_score: # return output, attention_scores # return output