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cs.LG2026
ParetoPilot: Zero-Surrogate Offline Multi-Objective Optimization via Infer-Perturb-Guide Diffusion
Ruiqing Sun, Sen Yang, Dawei Feng +3
Offline multi-objective optimization (Offline MOO) seeks Pareto-optimal designs from static datasets without additional environment interactions. Existing generative methods typica…
cs.LG2026
Scaffold-Conditioned Preference Triplets for Controllable Molecular Optimization with Large Language Models
Yi Xiong, Liang Xiong, Xiaohong Ji +4
Molecular property optimization is central to drug discovery, yet many deep learning methods rely on black-box scoring and offer limited control over scaffold preservation, often p…