from __future__ import annotations import torch import torch.nn as nn from torch_geometric.nn import GINEConv, TransformerConv class HybridGINETransformerGraphSpatialEncoder(nn.Module): """Local GINE message passing followed by edge-aware graph attention.""" def __init__( self, node_in_dim: int, edge_in_dim: int, hidden_dim: int = 384, num_layers: int = 6, dropout: float = 0.1, num_heads: int = 8, ): super().__init__() if hidden_dim % num_heads != 0: raise ValueError(f"hidden_dim={hidden_dim} must be divisible by num_heads={num_heads}.") self.node_proj = nn.Linear(node_in_dim, hidden_dim) self.edge_proj = nn.Linear(edge_in_dim, hidden_dim) self.dropout = nn.Dropout(dropout) out_channels = hidden_dim // num_heads self.local_layers = nn.ModuleList() self.attn_layers = nn.ModuleList() self.local_norms = nn.ModuleList() self.attn_norms = nn.ModuleList() self.ff_norms = nn.ModuleList() self.ff_layers = nn.ModuleList() for _ in range(num_layers): mlp = nn.Sequential( nn.Linear(hidden_dim, hidden_dim), nn.SiLU(), nn.Linear(hidden_dim, hidden_dim), ) self.local_layers.append(GINEConv(mlp, edge_dim=hidden_dim)) self.attn_layers.append( TransformerConv( hidden_dim, out_channels, heads=num_heads, concat=True, beta=True, dropout=dropout, edge_dim=hidden_dim, ) ) self.local_norms.append(nn.LayerNorm(hidden_dim)) self.attn_norms.append(nn.LayerNorm(hidden_dim)) self.ff_norms.append(nn.LayerNorm(hidden_dim)) self.ff_layers.append( nn.Sequential( nn.Linear(hidden_dim, hidden_dim * 4), nn.SiLU(), nn.Linear(hidden_dim * 4, hidden_dim), ) ) def forward(self, data) -> torch.Tensor: x = self.node_proj(data.x) edge_attr = self.edge_proj(data.edge_attr) for local, attn, local_norm, attn_norm, ff_norm, ff in zip( self.local_layers, self.attn_layers, self.local_norms, self.attn_norms, self.ff_norms, self.ff_layers, ): local_out = local(x, data.edge_index, edge_attr=edge_attr) x = local_norm(x + self.dropout(local_out)) attn_out = attn(x, data.edge_index, edge_attr=edge_attr) x = attn_norm(x + self.dropout(attn_out)) x = ff_norm(x + self.dropout(ff(x))) return x