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GRAND: Graph Neural Diffusion

About

We present Graph Neural Diffusion (GRAND) that approaches deep learning on graphs as a continuous diffusion process and treats Graph Neural Networks (GNNs) as discretisations of an underlying PDE. In our model, the layer structure and topology correspond to the discretisation choices of temporal and spatial operators. Our approach allows a principled development of a broad new class of GNNs that are able to address the common plights of graph learning models such as depth, oversmoothing, and bottlenecks. Key to the success of our models are stability with respect to perturbations in the data and this is addressed for both implicit and explicit discretisation schemes. We develop linear and nonlinear versions of GRAND, which achieve competitive results on many standard graph benchmarks.

Benjamin Paul Chamberlain, James Rowbottom, Maria Gorinova, Stefan Webb, Emanuele Rossi, Michael M. Bronstein• 2021

Related benchmarks

TaskDatasetResultRank
Node ClassificationCora
Accuracy87.36
885
Node ClassificationCiteseer
Accuracy76.46
804
Node ClassificationPubmed
Accuracy89.02
742
Graph ClassificationPROTEINS
Accuracy69.77
742
Node ClassificationCiteseer (test)
Accuracy0.7516
729
Graph ClassificationMUTAG
Accuracy61.26
697
Node ClassificationCora (test)
Mean Accuracy83.45
687
Node ClassificationChameleon
Accuracy68.43
549
Node ClassificationSquirrel
Accuracy59.68
500
Node ClassificationPubMed (test)
Accuracy79.93
500
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