Fig. 2: Comparative analysis of model-based RL with BO across increasing dimensionality in benchmark functions. | npj Computational Materials

Fig. 2: Comparative analysis of model-based RL with BO across increasing dimensionality in benchmark functions.

From: Unlocking the black box beyond Bayesian global optimization for materials design using reinforcement learning

Fig. 2

Performance comparison on (a) Ackley and (b) Rastrigin benchmark functions across different dimensionalities (D = 4–10). The y-axis shows the best-so-far value (global solution is at zero) over 200 experimental iterations, with shaded areas representing standard deviations across multiple runs. The rightmost 3-dimensional surface plots show the characteristic landscapes of Ackley (top) and Rastrigin (bottom) functions in 2-dimensional input space, illustrating their distinct optimization challenges.

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