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Natural Graph Networks

About

A key requirement for graph neural networks is that they must process a graph in a way that does not depend on how the graph is described. Traditionally this has been taken to mean that a graph network must be equivariant to node permutations. Here we show that instead of equivariance, the more general concept of naturality is sufficient for a graph network to be well-defined, opening up a larger class of graph networks. We define global and local natural graph networks, the latter of which are as scalable as conventional message passing graph neural networks while being more flexible. We give one practical instantiation of a natural network on graphs which uses an equivariant message network parameterization, yielding good performance on several benchmarks.

Pim de Haan, Taco Cohen, Max Welling• 2020

Related benchmarks

TaskDatasetResultRank
Graph ClassificationPROTEINS
Accuracy71.71
1383
Graph ClassificationMUTAG
Accuracy89.4
1229
Graph ClassificationNCI1
Accuracy82.74
707
Graph ClassificationIMDB-B
Accuracy74.8
455
Graph ClassificationIMDB-M
Accuracy51.3
434
Graph ClassificationNCI109
Accuracy83
275
Graph ClassificationPTC-MR
Accuracy66.84
271
Graph ClassificationMUTAG (10-fold cross-validation)
Accuracy89.4
236
Graph ClassificationPROTEINS (10-fold cross-validation)
Accuracy71.71
223
Graph ClassificationIMDB-B
Mean Accuracy74.8
181
Showing 10 of 16 rows

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