diff --git a/dquartic/model/diffusion_model.py b/dquartic/model/diffusion_model.py new file mode 100644 index 0000000..70430d4 --- /dev/null +++ b/dquartic/model/diffusion_model.py @@ -0,0 +1,30 @@ +import torch +import torch.nn as nn + +class SimpleDiffusionModel(nn.Module): + def __init__(self, input_dim=100, hidden_dim=256): + super(SimpleDiffusionModel, self).__init__() + self.network = nn.Sequential( + nn.Linear(input_dim, hidden_dim), + nn.ReLU(), + nn.Linear(hidden_dim, input_dim) + ) + + def forward(self, x, t): + """ + Args: + x (torch.Tensor): Input spectra (batch_size, input_dim) + t (torch.Tensor): Diffusion timestep (batch_size,) + Returns: + torch.Tensor: Denoised spectra + """ + return self.network(x) + +if __name__ == "__main__": + # Test the model with simulated DIA-MS/MS data + model = SimpleDiffusionModel() + noisy_spectra = torch.randn(32, 100) # Batch of 32 spectra, 100 features + timestep = torch.ones(32) # Dummy timestep + denoised_spectra = model(noisy_spectra, timestep) + print("Input shape:", noisy_spectra.shape) + print("Output shape:", denoised_spectra.shape) \ No newline at end of file