3 papers
cs.LG2025
EquiBoost: An Equivariant Boosting Approach to Molecular Conformation Generation
Yixuan Yang, Xingyu Fang, Zhaowen Cheng +2
Molecular conformation generation plays key roles in computational drug design. Recently developed deep learning methods, particularly diffusion models have reached competitive per…
cs.LG2024
EquiFlow: Equivariant Conditional Flow Matching with Optimal Transport for 3D Molecular Conformation Prediction
Qingwen Tian, Yuxin Xu, Yixuan Yang +4
Molecular 3D conformations play a key role in determining how molecules interact with other molecules or protein surfaces. Recent deep learning advancements have improved conformat…
cs.CV2024
M4: Multi-Proxy Multi-Gate Mixture of Experts Network for Multiple Instance Learning in Histopathology Image Analysis
Junyu Li, Ye Zhang, Wen Shu +6
Multiple instance learning (MIL) has been successfully applied for whole slide images (WSIs) analysis in computational pathology, enabling a wide range of prediction tasks from tum…