most citedSimXRD-4M: Big Simulated X-ray Diffraction Data Accelerate the Crystal Symmetry Classification

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cs.LG2024

Relaxing Continuous Constraints of Equivariant Graph Neural Networks for Physical Dynamics Learning

Zinan Zheng, Yang Liu, Jia Li +2

Incorporating Euclidean symmetries (e.g. rotation equivariance) as inductive biases into graph neural networks has improved their generalization ability and data efficiency in unbo…