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FSW-GNN: A Bi-Lipschitz WL-Equivalent Graph Neural Network

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Famously, the ability of Message Passing Neural Networks (MPNN) to distinguish between graphs is limited to graphs separable by the Weisfeiler-Lemann (WL) graph isomorphism test, and the strongest MPNNs, in terms of separation power, are WL-equivalent. However, it was demonstrated that the quality of separation provided by standard WL-equivalent MPNN can be very low, resulting in WL-separable graphs being mapped to very similar, hardly distinguishable outputs. This phenomenon can be explained by the recent observation that standard MPNNs are not lower-Lipschitz. This paper addresses this issue by introducing FSW-GNN, the first MPNN that is fully bi-Lipschitz with respect to standard WL-equivalent graph metrics. Empirically, we show that our MPNN is competitive with standard MPNNs for several graph learning tasks and is far more accurate in long-range tasks, due to its ability to avoid oversmoothing and oversquashing. Our code is available at https://github.com/yonatansverdlov/Over-squashing.

Yonatan Sverdlov, Yair Davidson, Nadav Dym, Tal Amir• 2024

Related benchmarks

TaskDatasetResultRank
Graph ClassificationMUTAG
Accuracy90.55
862
Node ClassificationChameleon
Accuracy51.18
640
Node ClassificationWisconsin
Accuracy81.56
627
Node ClassificationTexas
Accuracy0.7568
616
Node ClassificationSquirrel
Accuracy36.38
591
Node ClassificationCornell
Accuracy72.43
582
Node ClassificationActor
Accuracy34.66
397
Node ClassificationCiteseer
Accuracy75.44
86
Graph ClassificationPROTEIN
Accuracy76.93
55
Graph RegressionPeptides-struct LRGB
MAE0.2489
35
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