Source code for dgl.nn.pytorch.conv.gmmconv

"""Torch Module for GMM Conv"""
# pylint: disable= no-member, arguments-differ, invalid-name
import torch as th
from torch import nn
from torch.nn import init

from .... import function as fn
from ..utils import Identity
from ....utils import expand_as_pair

[docs]class GMMConv(nn.Module): r"""The Gaussian Mixture Model Convolution layer from `Geometric Deep Learning on Graphs and Manifolds using Mixture Model CNNs <>`__. .. math:: h_i^{l+1} & = \mathrm{aggregate}\left(\left\{\frac{1}{K} \sum_{k}^{K} w_k(u_{ij}), \forall j\in \mathcal{N}(i)\right\}\right) w_k(u) & = \exp\left(-\frac{1}{2}(u-\mu_k)^T \Sigma_k^{-1} (u - \mu_k)\right) Parameters ---------- in_feats : int Number of input features. out_feats : int Number of output features. dim : int Dimensionality of pseudo-coordinte. n_kernels : int Number of kernels :math:`K`. aggregator_type : str Aggregator type (``sum``, ``mean``, ``max``). residual : bool If True, use residual connection inside this layer. Default: ``False``. bias : bool If True, adds a learnable bias to the output. Default: ``True``. """ def __init__(self, in_feats, out_feats, dim, n_kernels, aggregator_type='sum', residual=False, bias=True): super(GMMConv, self).__init__() self._in_src_feats, self._in_dst_feats = expand_as_pair(in_feats) self._out_feats = out_feats self._dim = dim self._n_kernels = n_kernels if aggregator_type == 'sum': self._reducer = fn.sum elif aggregator_type == 'mean': self._reducer = fn.mean elif aggregator_type == 'max': self._reducer = fn.max else: raise KeyError("Aggregator type {} not recognized.".format(aggregator_type)) = nn.Parameter(th.Tensor(n_kernels, dim)) self.inv_sigma = nn.Parameter(th.Tensor(n_kernels, dim)) self.fc = nn.Linear(self._in_src_feats, n_kernels * out_feats, bias=False) if residual: if self._in_dst_feats != out_feats: self.res_fc = nn.Linear(self._in_dst_feats, out_feats, bias=False) else: self.res_fc = Identity() else: self.register_buffer('res_fc', None) if bias: self.bias = nn.Parameter(th.Tensor(out_feats)) else: self.register_buffer('bias', None) self.reset_parameters() def reset_parameters(self): """Reinitialize learnable parameters.""" gain = init.calculate_gain('relu') init.xavier_normal_(self.fc.weight, gain=gain) if isinstance(self.res_fc, nn.Linear): init.xavier_normal_(self.res_fc.weight, gain=gain) init.normal_(, 0, 0.1) init.constant_(, 1) if self.bias is not None: init.zeros_(
[docs] def forward(self, graph, feat, pseudo): """Compute Gaussian Mixture Model Convolution layer. Parameters ---------- graph : DGLGraph The graph. feat : torch.Tensor If a single tensor is given, the input feature of shape :math:`(N, D_{in})` where :math:`D_{in}` is size of input feature, :math:`N` is the number of nodes. If a pair of tensors are given, the pair must contain two tensors of shape :math:`(N_{in}, D_{in_{src}})` and :math:`(N_{out}, D_{in_{dst}})`. pseudo : torch.Tensor The pseudo coordinate tensor of shape :math:`(E, D_{u})` where :math:`E` is the number of edges of the graph and :math:`D_{u}` is the dimensionality of pseudo coordinate. Returns ------- torch.Tensor The output feature of shape :math:`(N, D_{out})` where :math:`D_{out}` is the output feature size. """ with graph.local_scope(): feat_src, feat_dst = expand_as_pair(feat) graph.srcdata['h'] = self.fc(feat_src).view(-1, self._n_kernels, self._out_feats) E = graph.number_of_edges() # compute gaussian weight gaussian = -0.5 * ((pseudo.view(E, 1, self._dim) -, self._n_kernels, self._dim)) ** 2) gaussian = gaussian * (self.inv_sigma.view(1, self._n_kernels, self._dim) ** 2) gaussian = th.exp(gaussian.sum(dim=-1, keepdim=True)) # (E, K, 1) graph.edata['w'] = gaussian graph.update_all(fn.u_mul_e('h', 'w', 'm'), self._reducer('m', 'h')) rst = graph.dstdata['h'].sum(1) # residual connection if self.res_fc is not None: rst = rst + self.res_fc(feat_dst) # bias if self.bias is not None: rst = rst + self.bias return rst