FSW-GNN: A Bi-Lipschitz WL-Equivalent Graph Neural Network
About
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.
Related benchmarks
| Task | Dataset | Result | Rank | |
|---|---|---|---|---|
| Graph Classification | MUTAG | Accuracy90.55 | 862 | |
| Node Classification | Chameleon | Accuracy51.18 | 640 | |
| Node Classification | Wisconsin | Accuracy81.56 | 627 | |
| Node Classification | Texas | Accuracy0.7568 | 616 | |
| Node Classification | Squirrel | Accuracy36.38 | 591 | |
| Node Classification | Cornell | Accuracy72.43 | 582 | |
| Node Classification | Actor | Accuracy34.66 | 397 | |
| Node Classification | Citeseer | Accuracy75.44 | 86 | |
| Graph Classification | PROTEIN | Accuracy76.93 | 55 | |
| Graph Regression | Peptides-struct LRGB | MAE0.2489 | 35 |