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Learning Long Range Dependencies on Graphs via Random Walks

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Message-passing graph neural networks (GNNs) excel at capturing local relationships but struggle with long-range dependencies in graphs. In contrast, graph transformers (GTs) enable global information exchange but often oversimplify the graph structure by representing graphs as sets of fixed-length vectors. This work introduces a novel architecture that overcomes the shortcomings of both approaches by combining the long-range information of random walks with local message passing. By treating random walks as sequences, our architecture leverages recent advances in sequence models to effectively capture long-range dependencies within these walks. Based on this concept, we propose a framework that offers (1) more expressive graph representations through random walk sequences, (2) the ability to utilize any sequence model for capturing long-range dependencies, and (3) the flexibility by integrating various GNN and GT architectures. Our experimental evaluations demonstrate that our approach achieves significant performance improvements on 19 graph and node benchmark datasets, notably outperforming existing methods by up to 13\% on the PascalVoc-SP and COCO-SP datasets. The code is available at https://github.com/BorgwardtLab/NeuralWalker.

Dexiong Chen, Till Hendrik Schulz, Karsten Borgwardt• 2024

Related benchmarks

TaskDatasetResultRank
Graph RegressionPeptides struct LRGB (test)
MAE0.2463
238
Graph RegressionZINC (test)
MAE0.053
218
Graph Classificationogbg-molpcba (test)
AP30.86
212
Graph ClassificationPeptides-func LRGB (test)
AP0.7096
196
Node ClassificationAmazon-Ratings (test)
Accuracy54.58
155
Graph ClassificationCIFAR10 (test)
Test Accuracy76.903
152
Node ClassificationMinesweeper (test)
AUROC97.82
134
Node ClassificationTolokers (test)
AUROC85.56
128
Node ClassificationCLUSTER (test)
Test Accuracy78.189
124
Graph ClassificationMNIST (test)
Accuracy98.692
121
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