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cs.LG2026
MolHop: Scaffold-Hopping Molecular Design with Agentic Reinforcement Learning
Yanyi Su, Chenyan Wang, Yulei Gong +3
Molecular design is often formulated as an optimization problem over existing molecular spaces. However, molecular optimization and the discovery of structurally distinct replaceme…
quant-ph2026
Dual channel multi-product formulas
Seung Park, Sangjin Lee, Kyunghyun Baek
Product-formula (PF) based quantum simulation is a promising approach for simulating quantum systems on near-term quantum computers. Achieving a desired simulation precision typica…