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| """ PyTorch ESM model.""" |
|
|
| import math |
| from dataclasses import dataclass |
| from typing import List, Optional, Tuple, Union |
|
|
| import torch |
| import torch.utils.checkpoint |
| from torch import nn |
| from torch.nn import BCEWithLogitsLoss, CrossEntropyLoss, MSELoss, SiLU |
| from transformers.file_utils import ( |
| add_code_sample_docstrings, |
| add_start_docstrings, |
| add_start_docstrings_to_model_forward, |
| ) |
| from transformers.modeling_outputs import ( |
| BaseModelOutputWithPastAndCrossAttentions, |
| BaseModelOutputWithPoolingAndCrossAttentions, |
| MaskedLMOutput, |
| SequenceClassifierOutput, |
| TokenClassifierOutput, |
| ) |
| from transformers.modeling_utils import ( |
| PreTrainedModel, |
| find_pruneable_heads_and_indices, |
| prune_linear_layer, |
| ) |
| from transformers.utils import logging |
|
|
| from .segment_nt_config import SegmentNTConfig |
|
|
| logger = logging.get_logger(__name__) |
|
|
| _CHECKPOINT_FOR_DOC = "facebook/esm2_t6_8M_UR50D" |
| _CONFIG_FOR_DOC = "SegmentNTConfig" |
|
|
| ESM_PRETRAINED_MODEL_ARCHIVE_LIST = [ |
| "facebook/esm2_t6_8M_UR50D", |
| "facebook/esm2_t12_35M_UR50D", |
| |
| |
| ] |
|
|
|
|
| def rotate_half(x): |
| x1, x2 = x.chunk(2, dim=-1) |
| return torch.cat((-x2, x1), dim=-1) |
|
|
|
|
| def apply_rotary_pos_emb(x, cos, sin): |
| cos = cos[:, :, : x.shape[-2], :] |
| sin = sin[:, :, : x.shape[-2], :] |
|
|
| return (x * cos) + (rotate_half(x) * sin) |
|
|
|
|
| def gelu(x): |
| """ |
| This is the gelu implementation from the original ESM repo. Using F.gelu yields subtly wrong results. |
| """ |
| return x * 0.5 * (1.0 + torch.erf(x / math.sqrt(2.0))) |
|
|
|
|
| def symmetrize(x): |
| "Make layer symmetric in final two dimensions, used for contact prediction." |
| return x + x.transpose(-1, -2) |
|
|
|
|
| def average_product_correct(x): |
| "Perform average product correct, used for contact prediction." |
| a1 = x.sum(-1, keepdims=True) |
| a2 = x.sum(-2, keepdims=True) |
| a12 = x.sum((-1, -2), keepdims=True) |
|
|
| avg = a1 * a2 |
| avg.div_(a12) |
| normalized = x - avg |
| return normalized |
|
|
| @dataclass |
| class RotaryEmbeddingConfig: |
| """ |
| Parameters to initialize the RotaryEmbedding layer. The rescaling factor allows |
| to adapt the rotary embeddings to larger lengths than what was used for training. |
| One of this strategy is presented in the Yarn paper: https://arxiv.org/pdf/2309.00071.pdf. # noqa |
| |
| Args: |
| |
| """ |
|
|
| rescaling_factor: Optional[float] |
|
|
| class RotaryEmbedding(torch.nn.Module): |
| """ |
| Rotary position embeddings based on those in |
| [RoFormer](https://huggingface.co/docs/transformers/model_doc/roformer). Query and keys are transformed by rotation |
| matrices which depend on their relative positions. |
| """ |
|
|
| def __init__(self, dim: int, rotary_embedding_config: RotaryEmbeddingConfig): |
| super().__init__() |
|
|
| |
| self.rescaling_factor = rotary_embedding_config.rescaling_factor |
| self.upper_freq = 10000 |
| self.dim = dim |
|
|
| self._seq_len_cached = None |
| self._cos_cached = None |
| self._sin_cached = None |
|
|
|
|
| |
| def _compute_cos_sin_tables(self, x, inv_freq, seq_dimension=2): |
| seq_len = x.shape[seq_dimension] |
|
|
| |
| |
| self._seq_len_cached = seq_len |
| t = torch.arange(x.shape[seq_dimension], device=x.device).type_as( |
| inv_freq |
| ) |
| freqs = torch.outer(t, inv_freq) |
| emb = torch.cat((freqs, freqs), dim=-1).to(x.device) |
|
|
| self._cos_cached = emb.cos()[None, None, :, :] |
| self._sin_cached = emb.sin()[None, None, :, :] |
|
|
| return self._cos_cached, self._sin_cached |
|
|
| def forward( |
| self, q: torch.Tensor, k: torch.Tensor |
| ) -> Tuple[torch.Tensor, torch.Tensor]: |
| |
| if self.rescaling_factor is None: |
| inv_freq = 1.0 / (self.upper_freq ** (torch.arange(0, self.dim, 2).float() / self.dim)) |
| else: |
| updated_base = self.upper_freq * ( |
| self.rescaling_factor ** (self.dim / (self.dim - 2)) |
| ) |
| inv_freq = 1.0 / ( |
| updated_base ** (torch.arange(0, self.dim, 2).float() / self.dim) |
| ) |
|
|
| self._cos_cached, self._sin_cached = self._compute_cos_sin_tables( |
| k, inv_freq, seq_dimension=-2, |
| ) |
| |
| return ( |
| apply_rotary_pos_emb(q, self._cos_cached, self._sin_cached), |
| apply_rotary_pos_emb(k, self._cos_cached, self._sin_cached), |
| ) |
|
|
|
|
|
|
| class EsmContactPredictionHead(nn.Module): |
| """Performs symmetrization, apc, and computes a logistic regression on the output features""" |
|
|
| def __init__( |
| self, |
| in_features: int, |
| bias=True, |
| eos_idx: int = 2, |
| ): |
| super().__init__() |
| self.in_features = in_features |
| self.eos_idx = eos_idx |
| self.regression = nn.Linear(in_features, 1, bias) |
| self.activation = nn.Sigmoid() |
|
|
| def forward(self, tokens, attentions): |
| |
| eos_mask = tokens.ne(self.eos_idx).to(attentions) |
| eos_mask = eos_mask.unsqueeze(1) * eos_mask.unsqueeze(2) |
| attentions = attentions * eos_mask[:, None, None, :, :] |
| attentions = attentions[..., :-1, :-1] |
| |
| attentions = attentions[..., 1:, 1:] |
| batch_size, layers, heads, seqlen, _ = attentions.size() |
| attentions = attentions.view(batch_size, layers * heads, seqlen, seqlen) |
|
|
| |
| attentions = attentions.to( |
| self.regression.weight.device |
| ) |
| attentions = average_product_correct(symmetrize(attentions)) |
| attentions = attentions.permute(0, 2, 3, 1) |
| return self.activation(self.regression(attentions).squeeze(3)) |
|
|
|
|
| class EsmEmbeddings(nn.Module): |
| """ |
| Same as BertEmbeddings with a tiny tweak for positional embeddings indexing. |
| """ |
|
|
| def __init__(self, config): |
| super().__init__() |
| self.word_embeddings = nn.Embedding( |
| config.vocab_size, config.hidden_size, padding_idx=config.pad_token_id |
| ) |
|
|
| if config.emb_layer_norm_before: |
| self.layer_norm = nn.LayerNorm( |
| config.hidden_size, eps=config.layer_norm_eps |
| ) |
| else: |
| self.layer_norm = None |
| self.dropout = nn.Dropout(config.hidden_dropout_prob) |
| |
| self.position_embedding_type = getattr( |
| config, "position_embedding_type", "absolute" |
| ) |
| self.register_buffer( |
| "position_ids", |
| torch.arange(config.max_position_embeddings).expand((1, -1)), |
| persistent=False, |
| ) |
|
|
| self.padding_idx = config.pad_token_id |
| self.position_embeddings = nn.Embedding( |
| config.max_position_embeddings, |
| config.hidden_size, |
| padding_idx=self.padding_idx, |
| ) |
| self.token_dropout = config.token_dropout |
| self.mask_token_id = config.mask_token_id |
|
|
| def forward( |
| self, |
| input_ids=None, |
| attention_mask=None, |
| position_ids=None, |
| inputs_embeds=None, |
| past_key_values_length=0, |
| ): |
| if position_ids is None: |
| if input_ids is not None: |
| |
| position_ids = create_position_ids_from_input_ids( |
| input_ids, self.padding_idx, past_key_values_length |
| ) |
| else: |
| position_ids = self.create_position_ids_from_inputs_embeds( |
| inputs_embeds |
| ) |
|
|
| if inputs_embeds is None: |
| inputs_embeds = self.word_embeddings(input_ids) |
|
|
| |
| |
| embeddings = inputs_embeds |
|
|
| |
| |
| |
| |
| |
| |
| |
| if self.token_dropout: |
| embeddings.masked_fill_( |
| (input_ids == self.mask_token_id).unsqueeze(-1), 0.0 |
| ) |
| mask_ratio_train = ( |
| 0.15 * 0.8 |
| ) |
| src_lengths = attention_mask.sum(-1) |
| mask_ratio_observed = (input_ids == self.mask_token_id).sum( |
| -1 |
| ).float() / src_lengths |
| embeddings = ( |
| embeddings |
| * (1 - mask_ratio_train) |
| / (1 - mask_ratio_observed)[:, None, None] |
| ).to(embeddings.dtype) |
|
|
| if self.position_embedding_type == "absolute": |
| position_embeddings = self.position_embeddings(position_ids) |
| embeddings += position_embeddings |
|
|
| if self.layer_norm is not None: |
| embeddings = self.layer_norm(embeddings) |
| if attention_mask is not None: |
| embeddings = (embeddings * attention_mask.unsqueeze(-1)).to( |
| embeddings.dtype |
| ) |
| |
| |
| return embeddings |
|
|
| def create_position_ids_from_inputs_embeds(self, inputs_embeds): |
| """ |
| We are provided embeddings directly. We cannot infer which are padded so just generate sequential position ids. |
| |
| Args: |
| inputs_embeds: torch.Tensor |
| |
| Returns: torch.Tensor |
| """ |
| input_shape = inputs_embeds.size()[:-1] |
| sequence_length = input_shape[1] |
|
|
| position_ids = torch.arange( |
| self.padding_idx + 1, |
| sequence_length + self.padding_idx + 1, |
| dtype=torch.long, |
| device=inputs_embeds.device, |
| ) |
| return position_ids.unsqueeze(0).expand(input_shape) |
|
|
|
|
| class EsmSelfAttention(nn.Module): |
| def __init__(self, config, position_embedding_type=None): |
| super().__init__() |
| if config.hidden_size % config.num_attention_heads != 0 and not hasattr( |
| config, "embedding_size" |
| ): |
| raise ValueError( |
| f"The hidden size ({config.hidden_size}) is not a multiple of the number of attention " |
| f"heads ({config.num_attention_heads})" |
| ) |
|
|
| self.num_attention_heads = config.num_attention_heads |
| self.attention_head_size = int(config.hidden_size / config.num_attention_heads) |
| self.all_head_size = self.num_attention_heads * self.attention_head_size |
|
|
| self.query = nn.Linear(config.hidden_size, self.all_head_size) |
| self.key = nn.Linear(config.hidden_size, self.all_head_size) |
| self.value = nn.Linear(config.hidden_size, self.all_head_size) |
|
|
| self.dropout = nn.Dropout(config.attention_probs_dropout_prob) |
| self.position_embedding_type = position_embedding_type or getattr( |
| config, "position_embedding_type", "absolute" |
| ) |
| self.rotary_embeddings = None |
| if ( |
| self.position_embedding_type == "relative_key" |
| or self.position_embedding_type == "relative_key_query" |
| ): |
| self.max_position_embeddings = config.max_position_embeddings |
| self.distance_embedding = nn.Embedding( |
| 2 * config.max_position_embeddings - 1, self.attention_head_size |
| ) |
| elif self.position_embedding_type == "rotary": |
| |
| rescaling_factor = config.rescaling_factor |
| rotary_embedding_config = RotaryEmbeddingConfig(rescaling_factor=rescaling_factor) |
|
|
| self.rotary_embeddings = RotaryEmbedding(dim=self.attention_head_size, rotary_embedding_config=rotary_embedding_config) |
|
|
| self.is_decoder = config.is_decoder |
|
|
| def transpose_for_scores(self, x: torch.Tensor) -> torch.Tensor: |
| new_x_shape = x.size()[:-1] + ( |
| self.num_attention_heads, |
| self.attention_head_size, |
| ) |
| x = x.view(new_x_shape) |
| return x.permute(0, 2, 1, 3) |
|
|
| def forward( |
| self, |
| hidden_states: torch.Tensor, |
| attention_mask: Optional[torch.FloatTensor] = None, |
| head_mask: Optional[torch.FloatTensor] = None, |
| encoder_hidden_states: Optional[torch.FloatTensor] = None, |
| encoder_attention_mask: Optional[torch.FloatTensor] = None, |
| past_key_value: Optional[Tuple[Tuple[torch.FloatTensor]]] = None, |
| output_attentions: Optional[bool] = False, |
| ) -> Tuple[torch.Tensor]: |
| mixed_query_layer = self.query(hidden_states) |
|
|
| |
| |
| |
| is_cross_attention = encoder_hidden_states is not None |
|
|
| if is_cross_attention and past_key_value is not None: |
| |
| key_layer = past_key_value[0] |
| value_layer = past_key_value[1] |
| attention_mask = encoder_attention_mask |
| elif is_cross_attention: |
| key_layer = self.transpose_for_scores(self.key(encoder_hidden_states)) |
| value_layer = self.transpose_for_scores(self.value(encoder_hidden_states)) |
| attention_mask = encoder_attention_mask |
| elif past_key_value is not None: |
| key_layer = self.transpose_for_scores(self.key(hidden_states)) |
| value_layer = self.transpose_for_scores(self.value(hidden_states)) |
| key_layer = torch.cat([past_key_value[0], key_layer], dim=2) |
| value_layer = torch.cat([past_key_value[1], value_layer], dim=2) |
| else: |
| key_layer = self.transpose_for_scores(self.key(hidden_states)) |
| value_layer = self.transpose_for_scores(self.value(hidden_states)) |
|
|
| query_layer = self.transpose_for_scores(mixed_query_layer) |
|
|
| |
| |
| |
| |
| query_layer = query_layer * self.attention_head_size**-0.5 |
|
|
| if self.is_decoder: |
| |
| |
| |
| |
| |
| |
| |
| past_key_value = (key_layer, value_layer) |
|
|
| if self.position_embedding_type == "rotary": |
| query_layer, key_layer = self.rotary_embeddings(query_layer, key_layer) |
|
|
| |
| attention_scores = torch.matmul(query_layer, key_layer.transpose(-1, -2)) |
|
|
| if ( |
| self.position_embedding_type == "relative_key" |
| or self.position_embedding_type == "relative_key_query" |
| ): |
| seq_length = hidden_states.size()[1] |
| position_ids_l = torch.arange( |
| seq_length, dtype=torch.long, device=hidden_states.device |
| ).view(-1, 1) |
| position_ids_r = torch.arange( |
| seq_length, dtype=torch.long, device=hidden_states.device |
| ).view(1, -1) |
| distance = position_ids_l - position_ids_r |
| positional_embedding = self.distance_embedding( |
| distance + self.max_position_embeddings - 1 |
| ) |
| positional_embedding = positional_embedding.to( |
| dtype=query_layer.dtype |
| ) |
|
|
| if self.position_embedding_type == "relative_key": |
| relative_position_scores = torch.einsum( |
| "bhld,lrd->bhlr", query_layer, positional_embedding |
| ) |
| attention_scores = attention_scores + relative_position_scores |
| elif self.position_embedding_type == "relative_key_query": |
| relative_position_scores_query = torch.einsum( |
| "bhld,lrd->bhlr", query_layer, positional_embedding |
| ) |
| relative_position_scores_key = torch.einsum( |
| "bhrd,lrd->bhlr", key_layer, positional_embedding |
| ) |
| attention_scores = ( |
| attention_scores |
| + relative_position_scores_query |
| + relative_position_scores_key |
| ) |
|
|
| if attention_mask is not None: |
| |
| attention_scores = attention_scores + attention_mask |
|
|
| |
| attention_probs = nn.functional.softmax(attention_scores, dim=-1) |
|
|
| |
| |
| attention_probs = self.dropout(attention_probs) |
|
|
| |
| if head_mask is not None: |
| attention_probs = attention_probs * head_mask |
|
|
| context_layer = torch.matmul(attention_probs, value_layer) |
|
|
| context_layer = context_layer.permute(0, 2, 1, 3).contiguous() |
| new_context_layer_shape = context_layer.size()[:-2] + (self.all_head_size,) |
| context_layer = context_layer.view(new_context_layer_shape) |
|
|
| outputs = ( |
| (context_layer, attention_probs) if output_attentions else (context_layer,) |
| ) |
|
|
| if self.is_decoder: |
| outputs = outputs + (past_key_value,) |
| return outputs |
|
|
|
|
| class EsmSelfOutput(nn.Module): |
| def __init__(self, config): |
| super().__init__() |
| self.dense = nn.Linear(config.hidden_size, config.hidden_size) |
| self.dropout = nn.Dropout(config.hidden_dropout_prob) |
|
|
| def forward(self, hidden_states, input_tensor): |
| hidden_states = self.dense(hidden_states) |
| hidden_states = self.dropout(hidden_states) |
| hidden_states += input_tensor |
| return hidden_states |
|
|
|
|
| class EsmAttention(nn.Module): |
| def __init__(self, config): |
| super().__init__() |
| self.self = EsmSelfAttention(config) |
| self.output = EsmSelfOutput(config) |
| self.pruned_heads = set() |
| self.LayerNorm = nn.LayerNorm(config.hidden_size, eps=config.layer_norm_eps) |
|
|
| def prune_heads(self, heads): |
| if len(heads) == 0: |
| return |
| heads, index = find_pruneable_heads_and_indices( |
| heads, |
| self.self.num_attention_heads, |
| self.self.attention_head_size, |
| self.pruned_heads, |
| ) |
|
|
| |
| self.self.query = prune_linear_layer(self.self.query, index) |
| self.self.key = prune_linear_layer(self.self.key, index) |
| self.self.value = prune_linear_layer(self.self.value, index) |
| self.output.dense = prune_linear_layer(self.output.dense, index, dim=1) |
|
|
| |
| self.self.num_attention_heads = self.self.num_attention_heads - len(heads) |
| self.self.all_head_size = ( |
| self.self.attention_head_size * self.self.num_attention_heads |
| ) |
| self.pruned_heads = self.pruned_heads.union(heads) |
|
|
| def forward( |
| self, |
| hidden_states, |
| attention_mask=None, |
| head_mask=None, |
| encoder_hidden_states=None, |
| encoder_attention_mask=None, |
| past_key_value=None, |
| output_attentions=False, |
| ): |
| hidden_states_ln = self.LayerNorm(hidden_states) |
| self_outputs = self.self( |
| hidden_states_ln, |
| attention_mask, |
| head_mask, |
| encoder_hidden_states, |
| encoder_attention_mask, |
| past_key_value, |
| output_attentions, |
| ) |
| attention_output = self.output(self_outputs[0], hidden_states) |
| outputs = (attention_output,) + self_outputs[ |
| 1: |
| ] |
| return outputs |
|
|
|
|
| class EsmIntermediate(nn.Module): |
| def __init__(self, config): |
| super().__init__() |
|
|
| self.dense = nn.Linear( |
| config.hidden_size, |
| int(config.intermediate_size * 2), |
| bias=config.add_bias_fnn, |
| ) |
| self.activation_fn = SiLU() |
|
|
| def forward(self, hidden_states: torch.Tensor) -> torch.Tensor: |
| hidden_states = self.dense(hidden_states) |
|
|
| |
| x1, x2 = hidden_states.split(int(hidden_states.size(-1) / 2), -1) |
| hidden_states = self.activation_fn(x1) * x2 |
|
|
| return hidden_states |
|
|
|
|
| class EsmOutput(nn.Module): |
| def __init__(self, config): |
| super().__init__() |
| self.dense = nn.Linear( |
| config.intermediate_size, config.hidden_size, bias=config.add_bias_fnn |
| ) |
| self.dropout = nn.Dropout(config.hidden_dropout_prob) |
|
|
| def forward(self, hidden_states, input_tensor): |
| hidden_states = self.dense(hidden_states) |
| hidden_states = self.dropout(hidden_states) |
| hidden_states += input_tensor |
| return hidden_states |
|
|
|
|
| class EsmLayer(nn.Module): |
| def __init__(self, config): |
| super().__init__() |
| self.chunk_size_feed_forward = config.chunk_size_feed_forward |
| self.seq_len_dim = 1 |
| self.attention = EsmAttention(config) |
| self.is_decoder = config.is_decoder |
| self.add_cross_attention = config.add_cross_attention |
| if self.add_cross_attention: |
| if not self.is_decoder: |
| raise RuntimeError( |
| f"{self} should be used as a decoder model if cross attention is added" |
| ) |
| self.crossattention = EsmAttention(config) |
| self.intermediate = EsmIntermediate(config) |
| self.output = EsmOutput(config) |
| self.LayerNorm = nn.LayerNorm(config.hidden_size, eps=config.layer_norm_eps) |
|
|
| def forward( |
| self, |
| hidden_states, |
| attention_mask=None, |
| head_mask=None, |
| encoder_hidden_states=None, |
| encoder_attention_mask=None, |
| past_key_value=None, |
| output_attentions=False, |
| ): |
| |
| self_attn_past_key_value = ( |
| past_key_value[:2] if past_key_value is not None else None |
| ) |
| self_attention_outputs = self.attention( |
| hidden_states, |
| attention_mask, |
| head_mask, |
| output_attentions=output_attentions, |
| past_key_value=self_attn_past_key_value, |
| ) |
| attention_output = self_attention_outputs[0] |
|
|
| |
| if self.is_decoder: |
| outputs = self_attention_outputs[1:-1] |
| present_key_value = self_attention_outputs[-1] |
| else: |
| outputs = self_attention_outputs[ |
| 1: |
| ] |
|
|
| cross_attn_present_key_value = None |
| if self.is_decoder and encoder_hidden_states is not None: |
| if not hasattr(self, "crossattention"): |
| raise AttributeError( |
| f"If `encoder_hidden_states` are passed, {self} has to be instantiated" |
| " with cross-attention layers by setting `config.add_cross_attention=True`" |
| ) |
|
|
| |
| cross_attn_past_key_value = ( |
| past_key_value[-2:] if past_key_value is not None else None |
| ) |
| cross_attention_outputs = self.crossattention( |
| attention_output, |
| attention_mask, |
| head_mask, |
| encoder_hidden_states, |
| encoder_attention_mask, |
| cross_attn_past_key_value, |
| output_attentions, |
| ) |
| attention_output = cross_attention_outputs[0] |
| outputs = ( |
| outputs + cross_attention_outputs[1:-1] |
| ) |
|
|
| |
| cross_attn_present_key_value = cross_attention_outputs[-1] |
| present_key_value = present_key_value + cross_attn_present_key_value |
|
|
| layer_output = self.feed_forward_chunk(attention_output) |
|
|
| outputs = (layer_output,) + outputs |
|
|
| |
| if self.is_decoder: |
| outputs = outputs + (present_key_value,) |
| return outputs |
|
|
| def feed_forward_chunk(self, attention_output): |
| attention_output_ln = self.LayerNorm(attention_output) |
| intermediate_output = self.intermediate(attention_output_ln) |
| layer_output = self.output(intermediate_output, attention_output) |
| return layer_output |
|
|
|
|
| class EsmEncoder(nn.Module): |
| def __init__(self, config): |
| super().__init__() |
| self.config = config |
| self.layer = nn.ModuleList( |
| [EsmLayer(config) for _ in range(config.num_hidden_layers)] |
| ) |
| self.emb_layer_norm_after = nn.LayerNorm( |
| config.hidden_size, eps=config.layer_norm_eps |
| ) |
| self.gradient_checkpointing = False |
|
|
| def forward( |
| self, |
| hidden_states, |
| attention_mask=None, |
| head_mask=None, |
| encoder_hidden_states=None, |
| encoder_attention_mask=None, |
| past_key_values=None, |
| use_cache=None, |
| output_attentions=False, |
| output_hidden_states=False, |
| return_dict=True, |
| ): |
| if self.gradient_checkpointing and self.training: |
| if use_cache: |
| logger.warning_once( |
| "`use_cache=True` is incompatible with `config.gradient_checkpointing=True`. Setting " |
| "`use_cache=False`..." |
| ) |
| use_cache = False |
| all_hidden_states = () if output_hidden_states else None |
| all_self_attentions = () if output_attentions else None |
| all_cross_attentions = ( |
| () if output_attentions and self.config.add_cross_attention else None |
| ) |
|
|
| next_decoder_cache = () if use_cache else None |
| for i, layer_module in enumerate(self.layer): |
| if output_hidden_states: |
| all_hidden_states = all_hidden_states + (hidden_states,) |
|
|
| layer_head_mask = head_mask[i] if head_mask is not None else None |
| past_key_value = past_key_values[i] if past_key_values is not None else None |
|
|
| if self.gradient_checkpointing and self.training: |
|
|
| def create_custom_forward(module): |
| def custom_forward(*inputs): |
| return module(*inputs, past_key_value, output_attentions) |
|
|
| return custom_forward |
|
|
| layer_outputs = torch.utils.checkpoint.checkpoint( |
| create_custom_forward(layer_module), |
| hidden_states, |
| attention_mask, |
| layer_head_mask, |
| encoder_hidden_states, |
| encoder_attention_mask, |
| ) |
| else: |
| layer_outputs = layer_module( |
| hidden_states, |
| attention_mask, |
| layer_head_mask, |
| encoder_hidden_states, |
| encoder_attention_mask, |
| past_key_value, |
| output_attentions, |
| ) |
|
|
| hidden_states = layer_outputs[0] |
| if use_cache: |
| next_decoder_cache += (layer_outputs[-1],) |
| if output_attentions: |
| all_self_attentions = all_self_attentions + (layer_outputs[1],) |
| if self.config.add_cross_attention: |
| all_cross_attentions = all_cross_attentions + (layer_outputs[2],) |
|
|
|
|
| if self.emb_layer_norm_after: |
| hidden_states = self.emb_layer_norm_after(hidden_states) |
|
|
| if output_hidden_states: |
| all_hidden_states = all_hidden_states + (hidden_states,) |
|
|
| if not return_dict: |
| return tuple( |
| v |
| for v in [ |
| hidden_states, |
| next_decoder_cache, |
| all_hidden_states, |
| all_self_attentions, |
| all_cross_attentions, |
| ] |
| if v is not None |
| ) |
| return BaseModelOutputWithPastAndCrossAttentions( |
| last_hidden_state=hidden_states, |
| past_key_values=next_decoder_cache, |
| hidden_states=all_hidden_states, |
| attentions=all_self_attentions, |
| cross_attentions=all_cross_attentions, |
| ) |
|
|
|
|
| |
| class EsmPooler(nn.Module): |
| def __init__(self, config): |
| super().__init__() |
| self.dense = nn.Linear(config.hidden_size, config.hidden_size) |
| self.activation = nn.Tanh() |
|
|
| def forward(self, hidden_states: torch.Tensor) -> torch.Tensor: |
| |
| |
| first_token_tensor = hidden_states[:, 0] |
| pooled_output = self.dense(first_token_tensor) |
| pooled_output = self.activation(pooled_output) |
| return pooled_output |
|
|
|
|
| class EsmPreTrainedModel(PreTrainedModel): |
| """ |
| An abstract class to handle weights initialization and a simple interface for downloading and loading pretrained |
| models. |
| """ |
|
|
| config_class = SegmentNTConfig |
| base_model_prefix = "esm" |
| _no_split_modules = ["EsmLayer", "EsmFoldTriangularSelfAttentionBlock"] |
|
|
| |
| def _init_weights(self, module): |
| """Initialize the weights""" |
| if isinstance(module, nn.Linear): |
| |
| |
| module.weight.data.normal_(mean=0.0, std=self.config.initializer_range) |
| if module.bias is not None: |
| module.bias.data.zero_() |
| elif isinstance(module, nn.Embedding): |
| module.weight.data.normal_(mean=0.0, std=self.config.initializer_range) |
| if module.padding_idx is not None: |
| module.weight.data[module.padding_idx].zero_() |
| elif isinstance(module, nn.LayerNorm): |
| module.bias.data.zero_() |
| module.weight.data.fill_(1.0) |
|
|
|
|
| ESM_START_DOCSTRING = r""" |
| |
| This model inherits from [`PreTrainedModel`]. Check the superclass documentation for the generic methods the |
| library implements for all its model (such as downloading or saving, resizing the input embeddings, pruning heads |
| etc.) |
| |
| This model is also a PyTorch [torch.nn.Module](https://pytorch.org/docs/stable/nn.html#torch.nn.Module) subclass. |
| Use it as a regular PyTorch Module and refer to the PyTorch documentation for all matter related to general usage |
| and behavior. |
| |
| Parameters: |
| config ([`EsmConfig`]): Model configuration class with all the parameters of the |
| model. Initializing with a config file does not load the weights associated with the model, only the |
| configuration. Check out the [`~PreTrainedModel.from_pretrained`] method to load the model weights. |
| """ |
|
|
| ESM_INPUTS_DOCSTRING = r""" |
| Args: |
| input_ids (`torch.LongTensor` of shape `({0})`): |
| Indices of input sequence tokens in the vocabulary. |
| |
| Indices can be obtained using [`AutoTokenizer`]. See [`PreTrainedTokenizer.encode`] and |
| [`PreTrainedTokenizer.__call__`] for details. |
| |
| [What are input IDs?](../glossary#input-ids) |
| attention_mask (`torch.FloatTensor` of shape `({0})`, *optional*): |
| Mask to avoid performing attention on padding token indices. Mask values selected in `[0, 1]`: |
| |
| - 1 for tokens that are **not masked**, |
| - 0 for tokens that are **masked**. |
| |
| [What are attention masks?](../glossary#attention-mask) |
| position_ids (`torch.LongTensor` of shape `({0})`, *optional*): |
| Indices of positions of each input sequence tokens in the position embeddings. Selected in the range `[0, |
| config.max_position_embeddings - 1]`. |
| |
| [What are position IDs?](../glossary#position-ids) |
| head_mask (`torch.FloatTensor` of shape `(num_heads,)` or `(num_layers, num_heads)`, *optional*): |
| Mask to nullify selected heads of the self-attention modules. Mask values selected in `[0, 1]`: |
| |
| - 1 indicates the head is **not masked**, |
| - 0 indicates the head is **masked**. |
| |
| inputs_embeds (`torch.FloatTensor` of shape `({0}, hidden_size)`, *optional*): |
| Optionally, instead of passing `input_ids` you can choose to directly pass an embedded representation. This |
| is useful if you want more control over how to convert `input_ids` indices into associated vectors than the |
| model's internal embedding lookup matrix. |
| output_attentions (`bool`, *optional*): |
| Whether or not to return the attentions tensors of all attention layers. See `attentions` under returned |
| tensors for more detail. |
| output_hidden_states (`bool`, *optional*): |
| Whether or not to return the hidden states of all layers. See `hidden_states` under returned tensors for |
| more detail. |
| return_dict (`bool`, *optional*): |
| Whether or not to return a [`~file_utils.ModelOutput`] instead of a plain tuple. |
| """ |
|
|
|
|
| @add_start_docstrings( |
| "The bare ESM Model transformer outputting raw hidden-states without any specific head on top.", |
| ESM_START_DOCSTRING, |
| ) |
| class EsmModel(EsmPreTrainedModel): |
| """ |
| |
| The model can behave as an encoder (with only self-attention) as well as a decoder, in which case a layer of |
| cross-attention is added between the self-attention layers, following the architecture described in [Attention is |
| all you need](https://arxiv.org/abs/1706.03762) by Ashish Vaswani, Noam Shazeer, Niki Parmar, Jakob Uszkoreit, |
| Llion Jones, Aidan N. Gomez, Lukasz Kaiser and Illia Polosukhin. |
| |
| To behave as an decoder the model needs to be initialized with the `is_decoder` argument of the configuration set |
| to `True`. To be used in a Seq2Seq model, the model needs to initialized with both `is_decoder` argument and |
| `add_cross_attention` set to `True`; an `encoder_hidden_states` is then expected as an input to the forward pass. |
| """ |
|
|
| supports_gradient_checkpointing = False |
|
|
| def __init__(self, config, add_pooling_layer=True): |
| super().__init__(config) |
| self.config = config |
|
|
| self.embeddings = EsmEmbeddings(config) |
| self.encoder = EsmEncoder(config) |
|
|
| self.pooler = EsmPooler(config) if add_pooling_layer else None |
|
|
| self.contact_head = EsmContactPredictionHead( |
| in_features=config.num_hidden_layers * config.num_attention_heads, bias=True |
| ) |
|
|
| |
| self.post_init() |
|
|
| def _set_gradient_checkpointing(self, module, value=False): |
| if isinstance(module, EsmEncoder): |
| module.gradient_checkpointing = value |
|
|
| def get_input_embeddings(self): |
| return self.embeddings.word_embeddings |
|
|
| def set_input_embeddings(self, value): |
| self.embeddings.word_embeddings = value |
|
|
| def _prune_heads(self, heads_to_prune): |
| """ |
| Prunes heads of the model. heads_to_prune: dict of {layer_num: list of heads to prune in this layer} See base |
| class PreTrainedModel |
| """ |
| for layer, heads in heads_to_prune.items(): |
| self.encoder.layer[layer].attention.prune_heads(heads) |
|
|
| @add_start_docstrings_to_model_forward( |
| ESM_INPUTS_DOCSTRING.format("(batch_size, sequence_length)") |
| ) |
| @add_code_sample_docstrings( |
| checkpoint=_CHECKPOINT_FOR_DOC, |
| output_type=BaseModelOutputWithPoolingAndCrossAttentions, |
| config_class=_CONFIG_FOR_DOC, |
| ) |
| def forward( |
| self, |
| input_ids: Optional[torch.Tensor] = None, |
| attention_mask: Optional[torch.Tensor] = None, |
| position_ids: Optional[torch.Tensor] = None, |
| head_mask: Optional[torch.Tensor] = None, |
| inputs_embeds: Optional[torch.Tensor] = None, |
| encoder_hidden_states: Optional[torch.Tensor] = None, |
| encoder_attention_mask: Optional[torch.Tensor] = None, |
| past_key_values: Optional[List[torch.FloatTensor]] = None, |
| use_cache: Optional[bool] = None, |
| output_attentions: Optional[bool] = None, |
| output_hidden_states: Optional[bool] = None, |
| return_dict: Optional[bool] = None, |
| ) -> Union[Tuple[torch.Tensor], BaseModelOutputWithPoolingAndCrossAttentions]: |
| r""" |
| encoder_hidden_states (`torch.FloatTensor` of shape `(batch_size, sequence_length, hidden_size)`, *optional*): |
| Sequence of hidden-states at the output of the last layer of the encoder. Used in the cross-attention if |
| the model is configured as a decoder. |
| encoder_attention_mask (`torch.FloatTensor` of shape `(batch_size, sequence_length)`, *optional*): |
| Mask to avoid performing attention on the padding token indices of the encoder input. This mask is used in |
| the cross-attention if the model is configured as a decoder. Mask values selected in `[0, 1]`: |
| |
| - 1 for tokens that are **not masked**, |
| - 0 for tokens that are **masked**. |
| past_key_values (`tuple(tuple(torch.FloatTensor))` of length `config.n_layers` with each tuple having 4 tensors of shape `(batch_size, num_heads, sequence_length - 1, embed_size_per_head)`): |
| Contains precomputed key and value hidden states of the attention blocks. Can be used to speed up decoding. |
| |
| If `past_key_values` are used, the user can optionally input only the last `decoder_input_ids` (those that |
| don't have their past key value states given to this model) of shape `(batch_size, 1)` instead of all |
| `decoder_input_ids` of shape `(batch_size, sequence_length)`. |
| use_cache (`bool`, *optional*): |
| If set to `True`, `past_key_values` key value states are returned and can be used to speed up decoding (see |
| `past_key_values`). |
| """ |
| output_attentions = ( |
| output_attentions |
| if output_attentions is not None |
| else self.config.output_attentions |
| ) |
| output_hidden_states = ( |
| output_hidden_states |
| if output_hidden_states is not None |
| else self.config.output_hidden_states |
| ) |
| return_dict = ( |
| return_dict if return_dict is not None else self.config.use_return_dict |
| ) |
|
|
| if self.config.is_decoder: |
| use_cache = use_cache if use_cache is not None else self.config.use_cache |
| else: |
| use_cache = False |
|
|
| if input_ids is not None and inputs_embeds is not None: |
| raise ValueError( |
| "You cannot specify both input_ids and inputs_embeds at the same time" |
| ) |
| elif input_ids is not None: |
| input_shape = input_ids.size() |
| elif inputs_embeds is not None: |
| input_shape = inputs_embeds.size()[:-1] |
| else: |
| raise ValueError("You have to specify either input_ids or inputs_embeds") |
|
|
| batch_size, seq_length = input_shape |
| device = input_ids.device if input_ids is not None else inputs_embeds.device |
|
|
| |
| past_key_values_length = ( |
| past_key_values[0][0].shape[2] if past_key_values is not None else 0 |
| ) |
|
|
| if attention_mask is None: |
| attention_mask = torch.ones( |
| ((batch_size, seq_length + past_key_values_length)), device=device |
| ) |
|
|
| |
| |
| extended_attention_mask: torch.Tensor = self.get_extended_attention_mask( |
| attention_mask, input_shape |
| ) |
|
|
| |
| |
| if self.config.is_decoder and encoder_hidden_states is not None: |
| ( |
| encoder_batch_size, |
| encoder_sequence_length, |
| _, |
| ) = encoder_hidden_states.size() |
| encoder_hidden_shape = (encoder_batch_size, encoder_sequence_length) |
| if encoder_attention_mask is None: |
| encoder_attention_mask = torch.ones(encoder_hidden_shape, device=device) |
| encoder_extended_attention_mask = self.invert_attention_mask( |
| encoder_attention_mask |
| ) |
| else: |
| encoder_extended_attention_mask = None |
|
|
| |
| |
| |
| |
| |
| head_mask = self.get_head_mask(head_mask, self.config.num_hidden_layers) |
|
|
| embedding_output = self.embeddings( |
| input_ids=input_ids, |
| position_ids=position_ids, |
| attention_mask=attention_mask, |
| inputs_embeds=inputs_embeds, |
| past_key_values_length=past_key_values_length, |
| ) |
| encoder_outputs = self.encoder( |
| embedding_output, |
| attention_mask=extended_attention_mask, |
| head_mask=head_mask, |
| encoder_hidden_states=encoder_hidden_states, |
| encoder_attention_mask=encoder_extended_attention_mask, |
| past_key_values=past_key_values, |
| use_cache=use_cache, |
| output_attentions=output_attentions, |
| output_hidden_states=output_hidden_states, |
| return_dict=return_dict, |
| ) |
| sequence_output = encoder_outputs[0] |
| pooled_output = ( |
| self.pooler(sequence_output) if self.pooler is not None else None |
| ) |
|
|
| if not return_dict: |
| return (sequence_output, pooled_output) + encoder_outputs[1:] |
|
|
| return BaseModelOutputWithPoolingAndCrossAttentions( |
| last_hidden_state=sequence_output, |
| pooler_output=pooled_output, |
| past_key_values=encoder_outputs.past_key_values, |
| hidden_states=encoder_outputs.hidden_states, |
| attentions=encoder_outputs.attentions, |
| cross_attentions=encoder_outputs.cross_attentions, |
| ) |
|
|
| def predict_contacts(self, tokens, attention_mask): |
| attns = self( |
| tokens, |
| attention_mask=attention_mask, |
| return_dict=True, |
| output_attentions=True, |
| ).attentions |
| attns = torch.stack(attns, dim=1) |
| |
| |
| |
| |
| attns *= attention_mask.unsqueeze(1).unsqueeze(2).unsqueeze(3) |
| attns *= attention_mask.unsqueeze(1).unsqueeze(2).unsqueeze(4) |
| return self.contact_head(tokens, attns) |
|
|
| def create_position_ids_from_input_ids( |
| input_ids, padding_idx, past_key_values_length=0 |
| ): |
| """ |
| Replace non-padding symbols with their position numbers. Position numbers begin at padding_idx+1. Padding symbols |
| are ignored. This is modified from fairseq's `utils.make_positions`. |
| |
| Args: |
| x: torch.Tensor x: |
| |
| Returns: torch.Tensor |
| """ |
| |
| mask = input_ids.ne(padding_idx).int() |
| incremental_indices = ( |
| torch.cumsum(mask, dim=1).type_as(mask) + past_key_values_length |
| ) * mask |
| return incremental_indices.long() + padding_idx |
|
|
|
|
| |
|
|
| class SegmentNT(EsmPreTrainedModel): |
| def __init__(self, config): |
| super().__init__(config) |
| self.num_labels = config.num_labels |
| self.config = config |
| self.num_features = len(config.features) |
|
|
| self.esm = EsmModel(config, add_pooling_layer=False) |
|
|
| embed_dim = config.hidden_size |
| num_layers = config.num_layers_head |
| self.unet = UNET1DSegmentationHead( |
| embed_dim=embed_dim, |
| num_classes=embed_dim // 2, |
| output_channels_list=tuple( |
| embed_dim * (2**i) for i in range(num_layers) |
| ), |
| ) |
| self.fc = nn.Linear(in_features=embed_dim, out_features=6 * 2 * self.num_features) |
| self.activation_fn = nn.SiLU() |
|
|
| self.init_weights() |
|
|
| |
| |
| |
| |
| |
| |
| |
| |
| def forward( |
| self, |
| input_ids: Optional[torch.LongTensor] = None, |
| attention_mask: Optional[torch.Tensor] = None, |
| position_ids: Optional[torch.LongTensor] = None, |
| head_mask: Optional[torch.Tensor] = None, |
| inputs_embeds: Optional[torch.FloatTensor] = None, |
| labels: Optional[torch.LongTensor] = None, |
| output_attentions: Optional[bool] = None, |
| output_hidden_states: Optional[bool] = None, |
| return_dict: Optional[bool] = None, |
| ) -> Union[Tuple, SequenceClassifierOutput]: |
| r""" |
| labels (`torch.LongTensor` of shape `(batch_size,)`, *optional*): |
| Labels for computing the sequence classification/regression loss. Indices should be in `[0, ..., |
| config.num_labels - 1]`. If `config.num_labels == 1` a regression loss is computed (Mean-Square loss), If |
| `config.num_labels > 1` a classification loss is computed (Cross-Entropy). |
| """ |
| return_dict = ( |
| return_dict if return_dict is not None else self.config.use_return_dict |
| ) |
|
|
| outputs = self.esm( |
| input_ids, |
| attention_mask=attention_mask, |
| position_ids=position_ids, |
| head_mask=head_mask, |
| inputs_embeds=inputs_embeds, |
| output_attentions=output_attentions, |
| output_hidden_states=output_hidden_states, |
| return_dict=return_dict, |
| ) |
| sequence_output = outputs[0] |
| |
| sequence_output = sequence_output[:,1:,:] |
| |
|
|
| |
| sequence_output = torch.transpose(sequence_output, 2,1) |
|
|
| x = self.activation_fn(self.unet(sequence_output)) |
|
|
| |
| x = torch.transpose(x, 2,1) |
|
|
| logits = self.fc(x) |
|
|
| |
| logits = torch.reshape(logits, (x.shape[0], x.shape[1] * 6, self.num_features, 2)) |
|
|
| |
| outputs["logits"] = logits |
|
|
| return outputs |
|
|
|
|
| class DownSample1D(nn.Module): |
| """ |
| 1D-UNET downsampling block. |
| """ |
|
|
| def __init__( |
| self, |
| input_channels: int, |
| output_channels: int, |
| num_layers: int = 2, |
| ): |
| """ |
| Args: |
| output_channels: number of output channels. |
| activation_fn: name of the activation function to use. |
| Should be one of "gelu", |
| "gelu-no-approx", "relu", "swish", "silu", "sin". |
| num_layers: number of convolution layers. |
| name: module name. |
| """ |
| |
| super().__init__() |
| self.first_layer = [nn.Conv1d( |
| in_channels=input_channels, |
| out_channels=output_channels, |
| kernel_size=3, |
| stride=1, |
| dilation=1, |
| padding="same", |
| )] |
| |
|
|
| self.next_layers = [ |
| nn.Conv1d( |
| in_channels=output_channels, |
| out_channels=output_channels, |
| kernel_size=3, |
| stride=1, |
| dilation=1, |
| padding="same", |
| ) |
| for _ in range(num_layers-1) |
| ] |
| self.conv_layers = nn.ModuleList(self.first_layer + self.next_layers) |
|
|
| self.avg_pool = nn.AvgPool1d( |
| kernel_size=2, |
| stride=2, |
| padding=0, |
| ) |
| self.activation_fn = nn.SiLU() |
|
|
|
|
| def forward(self, x: torch.Tensor) -> Tuple[torch.Tensor, torch.Tensor]: |
| for i, conv_layer in enumerate(self.conv_layers): |
| x = self.activation_fn(conv_layer(x)) |
|
|
| hidden = x |
| x = self.avg_pool(hidden) |
| return x, hidden |
| |
|
|
|
|
| class UpSample1D(nn.Module): |
| """ |
| 1D-UNET upsampling block. |
| """ |
|
|
| def __init__( |
| self, |
| input_channels: int, |
| output_channels: int, |
| num_layers: int = 2, |
| ): |
| """ |
| Args: |
| output_channels: number of output channels. |
| activation_fn: name of the activation function to use. |
| Should be one of "gelu", |
| "gelu-no-approx", "relu", "swish", "silu", "sin". |
| interpolation_method: Method to be used for upsampling interpolation. |
| Should be one of "nearest", "linear", "cubic", "lanczos3", "lanczos5". |
| num_layers: number of convolution layers. |
| name: module name. |
| """ |
| super().__init__() |
|
|
| self._first_layer = [nn.ConvTranspose1d( |
| in_channels=input_channels, |
| out_channels=output_channels, |
| kernel_size=3, |
| stride=1, |
| padding=1, |
| )] |
|
|
|
|
| self._next_layers = [ |
| nn.ConvTranspose1d( |
| in_channels=output_channels, |
| out_channels=output_channels, |
| kernel_size=3, |
| stride=1, |
| padding=1, |
| ) |
| for _ in range(num_layers-1) |
| ] |
|
|
| self.conv_layers = nn.ModuleList(self._first_layer + self._next_layers) |
|
|
| self._activation_fn = nn.SiLU() |
|
|
|
|
|
|
| def forward(self, x: torch.Tensor) -> Tuple[torch.Tensor, torch.Tensor]: |
| for i, conv_layer in enumerate(self.conv_layers): |
| x = self._activation_fn(conv_layer(x)) |
|
|
| |
| |
| x = nn.functional.interpolate(x, size=2 * x.shape[2], mode="nearest") |
|
|
|
|
| return x |
|
|
|
|
|
|
| class FinalConv1D(nn.Module): |
| """ |
| Final output block of the 1D-UNET. |
| """ |
|
|
| def __init__( |
| self, |
| input_channels: int, |
| output_channels: int, |
| num_layers: int = 2, |
| ): |
| """ |
| Args: |
| output_channels: number of output channels. |
| activation_fn: name of the activation function to use. |
| Should be one of "gelu", |
| "gelu-no-approx", "relu", "swish", "silu", "sin". |
| num_layers: number of convolution layers. |
| name: module name. |
| """ |
| super().__init__() |
|
|
| self._first_layer = [nn.Conv1d( |
| in_channels=input_channels, |
| out_channels=output_channels, |
| kernel_size=3, |
| stride=1, |
| dilation=1, |
| padding="same", |
| )] |
|
|
| self._next_layers = [ |
| nn.Conv1d( |
| in_channels=output_channels, |
| out_channels=output_channels, |
| kernel_size=3, |
| stride=1, |
| dilation=1, |
| padding="same", |
| ) |
| for _ in range(num_layers-1) |
| ] |
| self.conv_layers = nn.ModuleList(self._first_layer + self._next_layers) |
|
|
| self._activation_fn = nn.SiLU() |
|
|
|
|
|
|
| def forward(self, x: torch.Tensor) -> torch.Tensor: |
| for i, conv_layer in enumerate(self.conv_layers): |
| x = conv_layer(x) |
| if i < len(self.conv_layers) - 1: |
| x = self._activation_fn(x) |
| return x |
|
|
|
|
| class UNET1DSegmentationHead(nn.Module): |
| """ |
| 1D-UNET based head to be plugged on top of a pretrained model to perform |
| semantic segmentation. |
| """ |
|
|
| def __init__( |
| self, |
| embed_dim: int, |
| num_classes: int, |
| output_channels_list: Tuple[int, ...] = (64, 128, 256), |
| num_conv_layers_per_block: int = 2, |
| ): |
| """ |
| Args: |
| num_classes: number of classes to segment |
| output_channels_list: list of the number of output channel at each level of |
| the UNET |
| num_conv_layers_per_block: number of convolution layers per block. |
| """ |
| super().__init__() |
| self._num_pooling_layers = len(output_channels_list) |
|
|
|
|
| downsample_input_channels_list = (embed_dim, ) + output_channels_list[:-1] |
|
|
| output_channels_list_reversed = tuple(reversed(output_channels_list)) |
| upsample_input_channels_list = (output_channels_list[-1],) + output_channels_list_reversed |
| upsample_output_channels_list = output_channels_list_reversed |
|
|
| self._downsample_blocks = nn.ModuleList([ |
| DownSample1D( |
| input_channels= input_channels, |
| output_channels=output_channels, |
| num_layers=num_conv_layers_per_block, |
| ) |
| for input_channels, output_channels in zip(downsample_input_channels_list, output_channels_list) |
| ]) |
|
|
| self._upsample_blocks = nn.ModuleList([ |
| UpSample1D( |
| input_channels = input_channels, |
| output_channels=output_channels, |
| num_layers=num_conv_layers_per_block, |
| ) |
| for input_channels, output_channels in zip(upsample_input_channels_list, upsample_output_channels_list) |
| ]) |
|
|
| self.final_block = FinalConv1D( |
| input_channels=output_channels_list[0], |
| output_channels=num_classes * 2, |
| num_layers=num_conv_layers_per_block, |
| ) |
|
|
| def forward(self, x: torch.Tensor) -> torch.Tensor: |
|
|
| if x.shape[2] % 2**self._num_pooling_layers: |
| raise ValueError( |
| "Input length must be divisible by the 2 to the power of" |
| " number of poolign layers." |
| ) |
|
|
| hiddens = [] |
| for downsample_block in self._downsample_blocks: |
| x, hidden = downsample_block(x) |
| hiddens.append(hidden) |
| |
| |
|
|
| for i, (upsample_block, hidden) in enumerate(zip(self._upsample_blocks, reversed(hiddens))): |
| x = upsample_block(x) + hidden |
| x = self.final_block(x) |
| return x |
|
|
|
|