Weisfeiler-Lehman Embedding for Molecular Graph Neural Networks

12 Jun 2020Katsuhiko IshiguroKenta OonoKohei Hayashi

A graph neural network (GNN) is a good choice for predicting the chemical properties of molecules. Compared with other deep networks, however, the current performance of a GNN is limited owing to the "curse of depth.".. (read more)

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