16 citations · 16 across the 8 of their papers we have counts for
4 papers · 1 filter
Curvature-Informed Potential Energy Surface for Protein-Ligand Binding Affinity Prediction
Peng-Fei Sun, Chuan-Xian Ren, Hong Yan
Accurate prediction of protein-ligand binding affinity is essential for structure-based drug discovery. Recent geometric deep learning methods have achieved promising performance b…
Curvature-Guided Geometric Representation for Protein-Ligand Binding Affinity Prediction
Shuai Li, Chuan-Xian Ren, Yuhao Li +4
Protein-ligand binding affinity (PLA) prediction is critical in drug discovery. Despite the notable advancements in machine learning-based approaches, existing methods struggle to…
Partial Domain Adaptation via Importance Sampling-based Shift Correction
Cheng-Jun Guo, Chuan-Xian Ren, You-Wei Luo +2
Partial domain adaptation (PDA) is a challenging task in real-world machine learning scenarios. It aims to transfer knowledge from a labeled source domain to a related unlabeled ta…
Bi-level Unbalanced Optimal Transport for Partial Domain Adaptation
Zi-Ying Chen, Chuan-Xian Ren, Hong Yan
Partial domain adaptation (PDA) problem requires aligning cross-domain samples while distinguishing the outlier classes for accurate knowledge transfer. The widely used weighting f…