21 citations · 29 across the 4 of their papers we have counts for
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cs.LG2026
HiSTOR: Structured Treatment-outcome Representation Learning for High-Dimensional Longitudinal Data
Chuanqi Lao, Junzhou Huang, Qiao Liu
Estimating potential outcomes under alternative treatment sequences is essential for personalized decision-making, but remains challenging with high-dimensional covariates and time…
cs.LG2025
InversionGNN: A Dual Path Network for Multi-Property Molecular Optimization
Yifan Niu, Ziqi Gao, Tingyang Xu +5
Exploring chemical space to find novel molecules that simultaneously satisfy multiple properties is crucial in drug discovery. However, existing methods often struggle with trading…
cs.LG2022★ 21 cited
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…