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cs.LG2025
Magnitude-Modulated Equivariant Adapter for Parameter-Efficient Fine-Tuning of Equivariant Graph Neural Networks
Dian Jin, Yancheng Yuan, Xiaoming Tao
Pretrained equivariant graph neural networks based on spherical harmonics offer efficient and accurate alternatives to computationally expensive ab-initio methods, yet adapting the…
cs.LG2025
Rotational Sampling: A Plug-and-Play Encoder for Rotation-Invariant 3D Molecular GNNs
Dian Jin
Graph neural networks (GNNs) have achieved remarkable success in molecular property prediction. However, traditional graph representations struggle to effectively encode the inhere…