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Self-Play Reinforcement Learning under Imperfect Information in Big 2

arXiv:2605.28863v1 Announce Type: new Abstract: Imperfect-information multiplayer games test whether agents can act under hidden information, sparse rewards, and non-stationary opponents. We study these challenges in Big 2, a four-player imperfect-information card game. We develop a self-play RL framework for…

Molecular Lead Optimization via Agentic Tool Planning

arXiv:2605.28862v1 Announce Type: new Abstract: Drug discovery is a lengthy and resource-intensive process composed of multiple stages. Among these stages, lead optimization plays a critical role in transforming early hit compounds into viable drug candidates. This stage requires improving ADMET-related…

Calibrating Generative Models to Distributional Constraints

arXiv:2510.10020v4 Announce Type: replace-cross Abstract: Generative models frequently suffer miscalibration, wherein statistics of the sampling distribution, such as the fraction of generations in a given class, deviate from desired values. We frame calibration as a constrained optimization problem and seek…