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Walking Out of the Weisfeiler Leman Hierarchy: Graph Learning Beyond Message Passing

About

We propose CRaWl, a novel neural network architecture for graph learning. Like graph neural networks, CRaWl layers update node features on a graph and thus can freely be combined or interleaved with GNN layers. Yet CRaWl operates fundamentally different from message passing graph neural networks. CRaWl layers extract and aggregate information on subgraphs appearing along random walks through a graph using 1D Convolutions. Thereby it detects long range interactions and computes non-local features. As the theoretical basis for our approach, we prove a theorem stating that the expressiveness of CRaWl is incomparable with that of the Weisfeiler Leman algorithm and hence with graph neural networks. That is, there are functions expressible by CRaWl, but not by GNNs and vice versa. This result extends to higher levels of the Weisfeiler Leman hierarchy and thus to higher-order GNNs. Empirically, we show that CRaWl matches state-of-the-art GNN architectures across a multitude of benchmark datasets for classification and regression on graphs.

Jan T\"onshoff, Martin Ritzert, Hinrikus Wolf, Martin Grohe• 2021

Related benchmarks

TaskDatasetResultRank
Graph Classificationogbg-molpcba (test)
AP29.86
206
Graph RegressionZINC (test)
MAE0.085
204
Graph RegressionPeptides struct LRGB (test)
MAE0.2506
187
Graph RegressionZINC 12K (test)
MAE0.085
164
Graph ClassificationPeptides-func LRGB (test)
AP0.7074
145
Graph ClassificationCIFAR10 (test)
Test Accuracy69.013
139
Graph ClassificationCIFAR10
Accuracy69.013
110
Graph ClassificationMNIST (test)
Accuracy97.944
110
Graph RegressionZINC
MAE0.085
105
Graph ClassificationCOLLAB (test)
Accuracy80.4
96
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