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cs.LG2026
Generating Developable 3D Molecules via Pocket-Conditioned Diffusion and Property-Aware Optimization
Ruoxi Gao, Jiangweizhi Peng, Ziqi Chen +10
Drug discovery and development is time-consuming and resource-intensive, motivating computational approaches such as diffusion models for de novo drug design. Many such models foll…
cs.LG2022
GRU-TV: Time- and velocity-aware GRU for patient representation on multivariate clinical time-series data
Ningtao Liu, Ruoxi Gao, Jing Yuan +3
Electronic health records (EHRs) are usually highly dimensional, heterogeneous, and multimodal. Besides, the random recording of clinical variables results in high missing rates an…