from typing import Optional, Tuple, Union import torch import torch.nn.functional as F from torch import Tensor from torch.nn import LSTM from torch.nn import Linear from torch_geometric.nn.conv import MessagePassing from torch_geometric.nn.dense.linear import Linear from torch_geometric.typing import Adj, OptPairTensor, OptTensor, Size from torch_geometric.utils import to_dense_batch from torch_scatter import scatter from torch_sparse import SparseTensor, matmul class SAGEEdgeConv(MessagePassing): def __init__( self, in_channels: Union[int, Tuple[int, int]], out_channels: int, edge_dim: int, aggr: str = 'mean', normalize: bool = False, root_weight: bool = True, project: bool = False, bias: bool = True, **kwargs, ): super().__init__(aggr=aggr if aggr != 'lstm' else None, node_dim=0) self.in_channels = in_channels self.out_channels = out_channels self.normalize = normalize self.root_weight = root_weight self.project = project if isinstance(in_channels, int): in_channels = (in_channels, in_channels) if self.project: self.lin = Linear(in_channels[0], in_channels[0], bias=True) if self.aggr is None: self.fuse = False # No "fused" message_and_aggregate. self.lstm = LSTM(in_channels[0], in_channels[0], batch_first=True) self.lin_t = Linear(edge_dim, in_channels[0], bias=bias) self.lin_l = Linear(in_channels[0], out_channels, bias=bias) if self.root_weight: self.lin_r = Linear(in_channels[1], out_channels, bias=False) self.reset_parameters() def reset_parameters(self): if self.project: self.lin.reset_parameters() if self.aggr is None: self.lstm.reset_parameters() self.lin_l.reset_parameters() if self.root_weight: self.lin_r.reset_parameters() def forward(self, x: Union[Tensor, OptPairTensor], edge_index: Adj, edge_attr: OptTensor = None, size: Size = None) -> Tensor: if isinstance(x, Tensor): x: OptPairTensor = (x, x) if self.project and hasattr(self, 'lin'): x = (self.lin(x[0]).relu(), x[1]) # propagate_type: (x: OptPairTensor, edge_attr: OptTensor) out = self.propagate(edge_index, x=x, edge_attr=edge_attr, size=size) out = self.lin_l(out) x_r = x[1] if self.root_weight and x_r is not None: out += self.lin_r(x_r) if self.normalize: out = F.normalize(out, p=2., dim=-1) return out def message(self, x_j: Tensor, edge_attr: Tensor) -> Tensor: return x_j + self.lin_t(edge_attr) def message_and_aggregate(self, adj_t: SparseTensor, x: OptPairTensor) -> Tensor: adj_t = adj_t.set_value(None, layout=None) return matmul(adj_t, x[0], reduce=self.aggr) def aggregate(self, x: Tensor, index: Tensor, ptr: Optional[Tensor] = None, dim_size: Optional[int] = None) -> Tensor: if self.aggr is not None: return scatter(x, index, dim=self.node_dim, dim_size=dim_size, reduce=self.aggr) # LSTM aggregation: if ptr is None and not torch.all(index[:-1] <= index[1:]): raise ValueError(f"Can not utilize LSTM-style aggregation inside " f"'{self.__class__.__name__}' in case the " f"'edge_index' tensor is not sorted by columns. " f"Run 'sort_edge_index(..., sort_by_row=False)' " f"in a pre-processing step.") x, mask = to_dense_batch(x, batch=index, batch_size=dim_size) out, _ = self.lstm(x) return out[:, -1] def __repr__(self) -> str: aggr = self.aggr if self.aggr is not None else 'lstm' return (f'{self.__class__.__name__}({self.in_channels}, ' f'{self.out_channels}, aggr={aggr})')