""" model.py - Simple transformer model for microbiome data """ import torch import torch.nn as nn from typing import Dict class MicrobiomeTransformer(nn.Module): """ Simple transformer model for microbiome OTU embeddings Handles two types of embeddings with separate input projections Returns per-embedding predictions with variable length output """ def __init__( self, input_dim_type1: int = 384, input_dim_type2: int = 1536, d_model: int = 512, nhead: int = 8, num_layers: int = 6, dim_feedforward: int = 2048, dropout: float = 0.1, use_output_activation: bool = True ): super().__init__() # Store activation flag self.use_output_activation = use_output_activation # Separate input projections for each embedding type self.input_projection_type1 = nn.Linear(input_dim_type1, d_model) self.input_projection_type2 = nn.Linear(input_dim_type2, d_model) # Transformer encoder encoder_layer = nn.TransformerEncoderLayer( d_model=d_model, nhead=nhead, dim_feedforward=dim_feedforward, dropout=dropout, batch_first=True ) self.transformer = nn.TransformerEncoder(encoder_layer, num_layers=num_layers) # Output layers - per position self.output_projection = nn.Linear(d_model, 1) def forward(self, batch: Dict[str, torch.Tensor]) -> torch.Tensor: """ Args: batch: Dict with: - 'embeddings_type1': (batch_size, seq_len1, input_dim_type1) - 'embeddings_type2': (batch_size, seq_len2, input_dim_type2) - 'mask': (batch_size, seq_len1 + seq_len2) - combined mask - 'type_indicators': (batch_size, seq_len1 + seq_len2) - which type each position is Returns: torch.Tensor: (batch_size, seq_len1 + seq_len2) - value per embedding position """ embeddings_type1 = batch['embeddings_type1'] # (batch_size, seq_len1, input_dim_type1) embeddings_type2 = batch['embeddings_type2'] # (batch_size, seq_len2, input_dim_type2) mask = batch['mask'] # (batch_size, total_seq_len) type_indicators = batch['type_indicators'] # (batch_size, total_seq_len) - 0 for type1, 1 for type2 # Project each type separately x1 = self.input_projection_type1(embeddings_type1) # (batch_size, seq_len1, d_model) x2 = self.input_projection_type2(embeddings_type2) # (batch_size, seq_len2, d_model) # Concatenate along sequence dimension x = torch.cat([x1, x2], dim=1) # (batch_size, total_seq_len, d_model) # Transformer (mask padded tokens) x = self.transformer(x, src_key_padding_mask=~mask) # (batch_size, total_seq_len, d_model) # Output projection per position output = self.output_projection(x) # (batch_size, total_seq_len, 1) output = output.squeeze(-1) # (batch_size, total_seq_len) # Mask out padded positions output = output * mask.float() return output # Example usage if __name__ == "__main__": model = MicrobiomeTransformer( input_dim_type1=384, input_dim_type2=256, d_model=512, nhead=8, num_layers=6 ) # Test with dummy data batch_size = 4 seq_len1 = 60 # Type 1 embeddings seq_len2 = 40 # Type 2 embeddings total_len = seq_len1 + seq_len2 batch = { 'embeddings_type1': torch.randn(batch_size, seq_len1, 384), 'embeddings_type2': torch.randn(batch_size, seq_len2, 256), 'mask': torch.ones(batch_size, total_len, dtype=torch.bool), 'type_indicators': torch.cat([ torch.zeros(batch_size, seq_len1, dtype=torch.long), # Type 1 torch.ones(batch_size, seq_len2, dtype=torch.long) # Type 2 ], dim=1) } # Add some padding batch['mask'][:, 80:] = False output = model(batch) print(f"Output shape: {output.shape}") # Should be (4, 100) print(f"Type 1 output shape: {output[:, :seq_len1].shape}") # (4, 60) print(f"Type 2 output shape: {output[:, seq_len1:seq_len1+seq_len2].shape}") # (4, 40) # Check that padded positions are zeroed print(f"Padded positions sum: {output[:, 80:].sum().item()}") # Should be 0 # Check active positions active_output = output[:, :80] print(f"Active output range: {active_output.min().item():.3f} to {active_output.max().item():.3f}")