5 papers
E2Former-V2: On-the-Fly Equivariant Attention with Linear Activation Memory
Lin Huang, Chengxiang Huang, Ziang Wang +7
Equivariant Graph Neural Networks (EGNNs) have become a widely used approach for modeling 3D atomistic systems. However, mainstream architectures face critical scalability bottlene…
Knowledge Transfer Scaling Laws for 3D Medical Imaging
Ho Hin Lee, Dongna Du, Chu Wang +4
Vision foundation models are increasingly moving beyond 2D to volumetric domains such as 3D medical imaging, where unified pretraining across different imaging modalities (i.e. CT,…
UBio-MolFM: A Universal Molecular Foundation Model for Bio-Systems
Lin Huang, Arthur Jiang, XiaoLi Liu +8
All-atom molecular simulation serves as a quintessential ``computational microscope'' for understanding the machinery of life, yet it remains fundamentally limited by the trade-off…
Scalable Machine Learning Force Fields for Macromolecular Systems Through Long-Range Aware Message Passing
Chu Wang, Lin Huang, Xinran Wei +4
Machine learning force fields (MLFFs) have revolutionized molecular simulations by providing quantum mechanical accuracy at the speed of molecular mechanical computations. However,…
E2Former: An Efficient and Equivariant Transformer with Linear-Scaling Tensor Products
Yunyang Li, Lin Huang, Zhihao Ding +10
Equivariant Graph Neural Networks (EGNNs) have demonstrated significant success in modeling microscale systems, including those in chemistry, biology and materials science. However…