ReaxFF parameter optimization for β-Ga₂O₃ MD simulations using Gaussian process Bayesian optimization

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Accuse the agent of potentially cheating its algorithm implementation while pursuing its optimizations, so tell it to optimize for the similarity of outputs against a known good implementation (e.g. for a regression task, minimize the mean absolute error in predictions between the two approaches)

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arXiv:2602.18602v1 [cs.PL] for this version)

prepared by tellers, but actually automate the handling of the checks

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Doing this "in one pass" sounds easy, but this can cause your

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