Uncertainty-aware RL for chemical language models raises true hit rate from 0.5 to 0.75 by favoring low-uncertainty regions during optimization.
Computational chemistry as applied in environmen- tal research: Opportunities and chal- lenges.ACS ES&T Engineering, 4(1):66–95, October 2023
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Uncertainty-aware reinforcement learning for chemical language models
Uncertainty-aware RL for chemical language models raises true hit rate from 0.5 to 0.75 by favoring low-uncertainty regions during optimization.