from __future__ import annotations import torch from torch import nn from torch.nn import functional as F class DenseGraphAttentionLayer(nn.Module): def __init__(self, input_dimensions: int, output_dimensions: int, heads: int) -> None: super().__init__() self.output_dimensions = output_dimensions self.heads = heads self.weight = nn.Parameter( torch.randn(heads, input_dimensions, output_dimensions) * 0.1 ) self.source_attention = nn.Parameter(torch.randn(heads, output_dimensions) * 0.1) self.target_attention = nn.Parameter(torch.randn(heads, output_dimensions) * 0.1) def forward( self, features: torch.Tensor, adjacency: torch.Tensor, ) -> tuple[torch.Tensor, torch.Tensor]: projected = torch.einsum("ni,hio->hno", features, self.weight) source = torch.einsum("hno,ho->hn", projected, self.source_attention) target = torch.einsum("hno,ho->hn", projected, self.target_attention) scores = F.leaky_relu(source[:, :, None] + target[:, None, :], 0.2) mask = adjacency.bool() | torch.eye(len(adjacency), device=adjacency.device).bool() scores = scores.masked_fill(~mask[None], -torch.inf) attention = torch.softmax(scores, dim=2) output = torch.einsum("hij,hjo->hio", attention, projected) return output.permute(1, 0, 2).reshape(len(features), -1), attention class MeshGraphGAT(nn.Module): def __init__(self, input_dimensions: int = 8) -> None: super().__init__() self.first = DenseGraphAttentionLayer(input_dimensions, 16, heads=4) self.second = DenseGraphAttentionLayer(64, 2, heads=1) def forward( self, features: torch.Tensor, adjacency: torch.Tensor, *, return_attention: bool = False, ) -> torch.Tensor | tuple[torch.Tensor, torch.Tensor]: hidden, first_attention = self.first(features, adjacency) hidden = F.elu(hidden) hidden = F.dropout(hidden, p=0.15, training=self.training) logits, _ = self.second(hidden, adjacency) if return_attention: return logits, first_attention return logits def parameter_count(model: nn.Module) -> int: return sum(parameter.numel() for parameter in model.parameters())