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arXiv · 2205.00354

Graph Anisotropic Diffusion

Ahmed A. A. Elhag·Gabriele Corso·Hannes Stärk·Michael M. Bronstein
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Abstract

Traditional Graph Neural Networks (GNNs) rely on message passing, which amounts to permutation-invariant local aggregation of neighbour features. Such a process is isotropic and there is no notion of `direction' on the graph. We present a new GNN architecture called Graph Anisotropic Diffusion. Our model alternates between linear diffusion, for which a closed-form solution is available, and local anisotropic filters to obtain efficient multi-hop anisotropic kernels. We test our model on two common molecular property prediction benchmarks (ZINC and QM9) and show its competitive performance.

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Ahmed A. A. Elhag, Gabriele Corso, Hannes Stärk, Michael M. Bronstein. 2022-04-30. Graph Anisotropic Diffusion. https://arxiv.org/abs/2205.00354

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