Neural Graph Matching for Pre-training Graph Neural Networks

TL;DR

This paper introduces GMPT, a novel pre-training framework for GNNs that leverages neural graph matching to learn structural correspondences between graphs, enhancing transferability and effectiveness across various tasks.

Contribution

The paper proposes a new graph matching based pre-training method for GNNs that considers node- and graph-level features simultaneously, improving transferability and efficiency.

Findings

Effective on multi-domain benchmarks

Reduces time and memory consumption

Improves transfer learning performance

Abstract

Recently, graph neural networks (GNNs) have been shown powerful capacity at modeling structural data. However, when adapted to downstream tasks, it usually requires abundant task-specific labeled data, which can be extremely scarce in practice. A promising solution to data scarcity is to pre-train a transferable and expressive GNN model on large amounts of unlabeled graphs or coarse-grained labeled graphs. Then the pre-trained GNN is fine-tuned on downstream datasets with task-specific fine-grained labels. In this paper, we present a novel Graph Matching based GNN Pre-Training framework, called GMPT. Focusing on a pair of graphs, we propose to learn structural correspondences between them via neural graph matching, consisting of both intra-graph message passing and inter-graph message passing. In this way, we can learn adaptive representations for a given graph when paired with different graphs, and both node- and graph-level characteristics are naturally considered in a single pre-training task. The proposed method can be applied to fully self-supervised pre-training and coarse-grained supervised pre-training. We further propose an approximate contrastive training strategy to significantly reduce time/memory consumption. Extensive experiments on multi-domain, out-of-distribution benchmarks have demonstrated the effectiveness of our approach. The code is available at: https://github.com/RUCAIBox/GMPT.