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cs.LG2026
Deciphering Fingerprints of 3D Molecular Surfaces for Accurate Epitope Prediction
Fang Wu, Weihao Xuan, Jure Leskovec +2
Molecular surfaces encode the geometric and physicochemical patterns that determine antibody-antigen recognition, central to epitope prediction. However, existing methods rely on s…
cs.LG2026
Proteo-R1: Reasoning Foundation Models for De Novo Protein Design
Fang Wu, Weihao Xuan, Heli Qi +26
Deep learning in de novo protein design has achieved atomic-level fidelity. However, existing models remain largely non-deliberative: they directly synthesize molecular geometries…
cs.LG2025
Position: The Hidden Costs and Measurement Gaps of Reinforcement Learning with Verifiable Rewards
Fang Wu, Aaron Tu, Weihao Xuan +21
Reinforcement learning with verifiable rewards (RLVR) is a practical, scalable way to improve large language models on math, code, and other structured tasks. However, we argue tha…