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DataFunTalk
DataFunTalk
Jan 27, 2023 · Artificial Intelligence

GNN for Science: Foundations, Applications, and Recent Advances in Equivariant Graph Neural Networks

This article reviews the role of graph neural networks in AI for science, covering background, the evolution of GNN models, applications in physics and biomedicine, recent advances in Euclidean equivariant GNNs, and the authors' own contributions such as GMN and GROVER, concluding with key distinctions between traditional GNNs and science‑focused approaches.

AI for ScienceMolecular Representationequivariant GNN
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GNN for Science: Foundations, Applications, and Recent Advances in Equivariant Graph Neural Networks