gnn.py

import torch
import torch.nn as nn
import torch.nn.functional as F
import numpy as np
from scipy.linalg import block_diag

import dgl.function as fn

from .aggregator import MaxPoolAggregator, MeanAggregator, LSTMAggregator
from .bundler import Bundler
from ..model_utils import masked_softmax
from model.loss import EntropyLoss


class GraphSageLayer(nn.Module):
    """
    GraphSage layer in Inductive learning paper by hamilton
    Here, graphsage layer is a reduced function in DGL framework
    """

    def __init__(self, in_feats, out_feats, activation, dropout,
                 aggregator_type, bn=False, bias=True):
        super(GraphSageLayer, self).__init__()
        self.use_bn = bn
        self.bundler = Bundler(in_feats, out_feats, activation, dropout,
                               bias=bias)
        self.dropout = nn.Dropout(p=dropout)

        if aggregator_type == "maxpool":
            self.aggregator = MaxPoolAggregator(in_feats, in_feats,
                                                activation, bias)
        elif aggregator_type == "lstm":
            self.aggregator = LSTMAggregator(in_feats, in_feats)
        else:
            self.aggregator = MeanAggregator()

    def forward(self, g, h):
        h = self.dropout(h)
        g.ndata['h'] = h
        if self.use_bn and not hasattr(self, 'bn'):
            device = h.device
            self.bn = nn.BatchNorm1d(h.size()[1]).to(device)
        g.update_all(fn.copy_u(u='h', out='m'), self.aggregator,
                     self.bundler)
        if self.use_bn:
            h = self.bn(h)
        h = g.ndata.pop('h')
        return h


class GraphSage(nn.Module):
    """
    Grahpsage network that concatenate several graphsage layer
    """

    def __init__(self, in_feats, n_hidden, n_classes, n_layers, activation,
                 dropout, aggregator_type):
        super(GraphSage, self).__init__()
        self.layers = nn.ModuleList()

        # input layer
        self.layers.append(GraphSageLayer(in_feats, n_hidden, activation, dropout,
                                          aggregator_type))
        # hidden layers
        for _ in range(n_layers - 1):
            self.layers.append(GraphSageLayer(n_hidden, n_hidden, activation,
                                              dropout, aggregator_type))
        # output layer
        self.layers.append(GraphSageLayer(n_hidden, n_classes, None,
                                          dropout, aggregator_type))

    def forward(self, g, features):
        h = features
        for layer in self.layers:
            h = layer(g, h)
        return h


class DiffPoolBatchedGraphLayer(nn.Module):

    def __init__(self, input_dim, assign_dim, output_feat_dim,
                 activation, dropout, aggregator_type, link_pred):
        super(DiffPoolBatchedGraphLayer, self).__init__()
        self.embedding_dim = input_dim
        self.assign_dim = assign_dim
        self.hidden_dim = output_feat_dim
        self.link_pred = link_pred
        self.feat_gc = GraphSageLayer(
            input_dim,
            output_feat_dim,
            activation,
            dropout,
            aggregator_type)
        self.pool_gc = GraphSageLayer(
            input_dim,
            assign_dim,
            activation,
            dropout,
            aggregator_type)
        self.reg_loss = nn.ModuleList([])
        self.loss_log = {}
        self.reg_loss.append(EntropyLoss())

    def forward(self, g, h):
        feat = self.feat_gc(g, h)  # size = (sum_N, F_out), sum_N is num of nodes in this batch
        device = feat.device
        assign_tensor = self.pool_gc(g, h)  # size = (sum_N, N_a), N_a is num of nodes in pooled graph.
        assign_tensor = F.softmax(assign_tensor, dim=1)
        assign_tensor = torch.split(assign_tensor, g.batch_num_nodes().tolist())
        assign_tensor = torch.block_diag(*assign_tensor)  # size = (sum_N, batch_size * N_a)

        h = torch.matmul(torch.t(assign_tensor), feat)
        adj = g.adjacency_matrix(transpose=True, ctx=device)
        adj_new = torch.sparse.mm(adj, assign_tensor)
        adj_new = torch.mm(torch.t(assign_tensor), adj_new)

        if self.link_pred:
            current_lp_loss = torch.norm(adj.to_dense() -
                                         torch.mm(assign_tensor, torch.t(assign_tensor))) / np.power(g.number_of_nodes(), 2)
            self.loss_log['LinkPredLoss'] = current_lp_loss

        for loss_layer in self.reg_loss:
            loss_name = str(type(loss_layer).__name__)
            self.loss_log[loss_name] = loss_layer(adj, adj_new, assign_tensor)

        return adj_new, h