On the equivalence between graph isomorphism testing and function approximation with GNNs
About
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.
Related benchmarks
| Task | Dataset | Result | Rank | |
|---|---|---|---|---|
| Graph Classification | IMDB-M | Accuracy51.3 | 218 | |
| Graph Classification | MUTAG (10-fold cross-validation) | Accuracy86.8 | 206 | |
| Graph Classification | PROTEINS (10-fold cross-validation) | Accuracy75.7 | 197 | |
| Graph Regression | ZINC 12K (test) | MAE0.353 | 164 | |
| Graph Classification | PTC (10-fold cross-validation) | Accuracy65.7 | 115 | |
| Node Classification | PATTERN (test) | Test Accuracy86.245 | 88 | |
| Graph Regression | ZINC subset (test) | MAE0.353 | 56 | |
| Graph Classification | CSL (test) | -- | 45 | |
| Graph Classification | COLLAB (10-fold cross val) | Accuracy80.1 | 26 | |
| Graph Classification | IMDB-B | Mean Accuracy73.3 | 14 |