Heterogeneous Graph Neural Networks

What are Heterogeneous Graph Neural Networks?

Heterogeneous Graph Neural Networks (HGNNs) are a class of deep learning models designed to handle graph-structured data with multiple types of nodes and edges. Traditional Graph Neural Networks (GNNs) assume that the graph’s nodes and edges are homogeneous, meaning they have the same type, which limits their applicability to more complex and diverse graph structures. HGNNs extend the GNN framework to handle heterogeneous graphs, enabling the modeling of more complex relationships and interactions between different types of entities in the graph.

How do Heterogeneous Graph Neural Networks work?

Heterogeneous Graph Neural Networks work by incorporating node and edge type information into the message-passing and aggregation steps of the GNN framework. This can be achieved through various techniques, such as using type-specific aggregation functions, incorporating type embeddings, or employing attention mechanisms to learn the importance of different types of relationships. By considering the heterogeneity of the graph structure, HGNNs can capture more complex and nuanced patterns in the data.

Example of Heterogeneous Graph Neural Networks in Python

To work with Heterogeneous Graph Neural Networks in Python, you can use the DGL (Deep Graph Library) library:

$ pip install dgl

Here’s a simple example of using the RGCN (Relational Graph Convolutional Network) model for node classification in a heterogeneous graph:

import dgl
import torch
import torch.nn as nn
import torch.nn.functional as F
from dgl.nn import RelGraphConv

# Create a synthetic heterogeneous graph
graph_data = {
    ('user', 'follows', 'user'): [(0, 1), (1, 2), (2, 3), (3, 4)],
    ('user', 'plays', 'game'): [(0, 0), (1, 0), (2, 1), (3, 1), (4, 1)],
    ('game', 'liked-by', 'user'): [(0, 0), (0, 1), (1, 1), (1, 2), (1, 3), (1, 4)],
graph = dgl.heterograph(graph_data)
graph = dgl.to_homogeneous(graph)
graph.ndata['type'] = torch.tensor([0, 0, 0, 0, 0, 1, 1])
graph.ndata['label'] = torch.tensor([0, 1, 2, 3, 4, 0, 1])

# Define the RGCN model for heterogeneous graphs
class HeteroRGCN(nn.Module):
    def __init__(self, in_feats, hidden_feats, out_feats, num_rels):
        self.conv1 = RelGraphConv(in_feats, hidden_feats, num_rels, "basis", num_bases=2, activation=F.relu)
        self.conv2 = RelGraphConv(hidden_feats, out_feats, num_rels, "basis", num_bases=2)

    def forward(self, graph, inputs, etypes):
        x = self.conv1(graph, inputs, etypes)
        x = self.conv2(graph, x, etypes)
        return x

# Train the model for node classification
model = HeteroRGCN(5, 16, 3, 3)
inputs = torch.randn(7, 5)
labels = graph.ndata['label']
optimizer = torch.optim.Adam(model.parameters(), lr=0.01)
criterion = nn.CrossEntropyLoss()

for epoch in range(50):
    logits = model(graph, inputs, graph.edata['etype'])
    loss = criterion(logits, labels)
    print(f"Epoch {epoch}, Loss: {loss.item()}")

In this example, we create a synthetic heterogeneous graph with two types of nodes (users and games) and three types of edges (follows, plays, and liked-by). We then define and train an RGCN model to perform node classification on this graph.

Additional resources on Heterogeneous Graph Neural Networks