What are the Challenges in Using RL for Catalysis?
While RL holds great promise, several challenges need to be addressed. One major challenge is the accurate simulation of catalytic processes, as real-world experiments can be too costly and time-consuming for extensive RL training. Another challenge is the definition of appropriate reward functions that accurately reflect the desired outcomes of catalytic reactions. Additionally, the exploration-exploitation trade-off, a common issue in RL, can be particularly tricky in catalysis due to the high dimensionality of the parameter space.
