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On the equivalence between graph isomorphism testing and function approximation with GNNs

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Graph Neural Networks (GNNs) have achieved much success on graph-structured data. In light of this, there have been increasing interests in studying their expressive power. One line of work studies the capability of GNNs to approximate permutation-invariant functions on graphs, and another focuses on the their power as tests for graph isomorphism. Our work connects these two perspectives and proves their equivalence. We further develop a framework of the expressive power of GNNs that incorporates both of these viewpoints using the language of sigma-algebra, through which we compare the expressive power of different types of GNNs together with other graph isomorphism tests. In particular, we prove that the second-order Invariant Graph Network fails to distinguish non-isomorphic regular graphs with the same degree. Then, we extend it to a new architecture, Ring-GNN, which succeeds in distinguishing these graphs and achieves good performances on real-world datasets.

Zhengdao Chen, Soledad Villar, Lei Chen, Joan Bruna• 2019

Related benchmarks

TaskDatasetResultRank
Graph ClassificationIMDB-M
Accuracy51.3
425
Graph ClassificationDD
Accuracy65.2
300
Graph ClassificationMUTAG (10-fold cross-validation)
Accuracy86.8
227
Graph ClassificationPROTEINS (10-fold cross-validation)
Accuracy75.7
223
Image ClassificationMNIST (test)--
201
Graph RegressionZINC 12K (test)
MAE0.353
173
Graph ClassificationIMDB-B
Mean Accuracy73.3
159
Graph ClassificationPTC (10-fold cross-validation)
Accuracy65.7
120
Node ClassificationPATTERN (test)
Test Accuracy86.245
101
Graph RegressionZINC subset (test)
MAE0.353
56
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