35 citations · 109 across the 9 of their papers we have counts for
4 papers · 1 filter
DrugOOD: Out-of-Distribution (OOD) Dataset Curator and Benchmark for AI-aided Drug Discovery -- A Focus on Affinity Prediction Problems with Noise Annotations
Yuanfeng Ji, Lu Zhang, Jiaxiang Wu +16
AI-aided drug discovery (AIDD) is gaining increasing popularity due to its promise of making the search for new pharmaceuticals quicker, cheaper and more efficient. In spite of its…
Energy-Based Learning for Cooperative Games, with Applications to Valuation Problems in Machine Learning
Yatao Bian, Yu Rong, Tingyang Xu +3
Valuation problems, such as feature interpretation, data valuation and model valuation for ensembles, become increasingly more important in many machine learning applications. Such…
EBM-Fold: Fully-Differentiable Protein Folding Powered by Energy-based Models
Jiaxiang Wu, Shitong Luo, Tao Shen +3
Accurate protein structure prediction from amino-acid sequences is critical to better understanding the protein function. Recent advances in this area largely benefit from more pre…
An Efficient Approach to Informative Feature Extraction from Multimodal Data
Lichen Wang, Jiaxiang Wu, Shao-Lun Huang +4
One primary focus in multimodal feature extraction is to find the representations of individual modalities that are maximally correlated. As a well-known measure of dependence, the…