import torch.nn as nn from typing import Optional from torch import nn, Tensor import pdb class CategoryValueEncoder(nn.Module): def __init__( self, num_embeddings: int, embedding_dim: int, padding_idx: Optional[int] = None, ): super().__init__() self.embedding = nn.Embedding( num_embeddings, embedding_dim, padding_idx=padding_idx ) self.enc_norm = nn.LayerNorm(embedding_dim) def forward(self, x: Tensor) -> Tensor: x = x.long() x = self.embedding(x) # (batch, seq_len, embsize) x = self.enc_norm(x) return x class GeneEncoder(nn.Module): def __init__( self, num_embeddings: int, embedding_dim: int, padding_idx: Optional[int] = None, ): super().__init__() self.embedding = nn.Embedding( num_embeddings, embedding_dim, padding_idx=padding_idx ) self.enc_norm = nn.LayerNorm(embedding_dim) def forward(self, x: Tensor) -> Tensor: x = self.embedding(x) # (batch, seq_len, embsize) x = self.enc_norm(x) return x class PerturbationEmbedding(nn.Module): def __init__(self, num_perturbations, emb_dim, max_comb_len=2, fusion_method='mlp', output_matrix=False): super().__init__() self.embedding = nn.Embedding(num_perturbations, emb_dim) self.fusion_method = fusion_method self.max_comb_len = max_comb_len self.output_matrix = output_matrix self.output_dim = emb_dim if not output_matrix else emb_dim * emb_dim if fusion_method == 'mlp': self.fusion = nn.Sequential( nn.Linear(emb_dim * max_comb_len, emb_dim * 2), nn.ReLU(), nn.Linear(emb_dim * 2, self.output_dim) ) elif fusion_method == 'sum': self.fusion = None else: raise ValueError(f"Unsupported fusion method: {fusion_method}") def forward(self, ids): emb = self.embedding(ids) # [B, C, D] if self.fusion_method == 'mlp': emb = emb.view(emb.size(0), -1) # [B, C*D] fused = self.fusion(emb) # [B, D] or [B, D*D] if self.output_matrix: B = fused.size(0) D = int(self.output_dim ** 0.5) return fused.view(B, D, D) # [B, D, D] else: return fused elif self.fusion_method == 'sum': out = emb.sum(dim=1) # [B, D] if self.output_matrix: B = out.size(0) D = out.size(1) return out.view(B, D, 1).expand(B, D, D) # dummy expansion return out # class PerturbationEmbedding(nn.Module): # def __init__(self, num_perturbations, emb_dim, max_comb_len=2, fusion_method='mlp'): # """ # Args: # num_perturbations: 词表大小 # emb_dim: 嵌入维度 # max_comb_len: 每个 condition 最多包含的 token 数量(如 drug1, drug2) # fusion_method: 'mlp' 或 'sum' # """ # super().__init__() # self.embedding = nn.Embedding(num_perturbations, emb_dim) # self.fusion_method = fusion_method # self.max_comb_len = max_comb_len # if fusion_method == 'mlp': # self.fusion = nn.Sequential( # nn.Linear(emb_dim * max_comb_len, emb_dim), # nn.ReLU(), # nn.Linear(emb_dim, emb_dim) # ) # elif fusion_method == 'sum': # self.fusion = None # else: # raise ValueError(f"Unsupported fusion method: {fusion_method}") # def init_weights(self, m): # if isinstance(m, nn.Linear): # nn.init.xavier_uniform_(m.weight) # nn.init.zeros_(m.bias) # def initialize_weights(self): # self.apply(self.init_weights) # def forward(self, ids): # """ # Args: # ids: LongTensor of shape [B, max_comb_len] # Returns: # fused: Tensor of shape [B, emb_dim] # """ # emb = self.embedding(ids) # [B, C, D] # if self.fusion_method == 'mlp': # emb = emb.view(emb.size(0), -1) # [B, C*D] # return self.fusion(emb) # [B, D] # elif self.fusion_method == 'sum': # if emb.dim() == 2: # return emb.sum(dim=0) # [B, D] # elif emb.dim() == 3: # return emb.sum(dim=1) # [B, C, D] # else: # raise ValueError(f"Unsupported dimension: {ids.dim()}")