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cs.AI2025
Toward Closed-loop Molecular Discovery via Language Model, Property Alignment and Strategic Search
Junkai Ji, Zhangfan Yang, Dong Xu +4
Drug discovery is a time-consuming and expensive process, with traditional high-throughput and docking-based virtual screening hampered by low success rates and limited scalability…
cs.LG2025
SiamNAS: Siamese Surrogate Model for Dominance Relation Prediction in Multi-objective Neural Architecture Search
Yuyang Zhou, Ferrante Neri, Yew-Soon Ong +1
Modern neural architecture search (NAS) is inherently multi-objective, balancing trade-offs such as accuracy, parameter count, and computational cost. This complexity makes NAS com…