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

· · 来源:dev资讯

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The algorithm maintains a running "best distance" that starts at infinity. As it walks the tree, it checks each visited point and updates the best distance if it finds something closer. Before recursing into a child node, it checks whether the closest possible point in that child's bounding box is farther than the current best. If so, the entire subtree gets pruned.

這項說法是正確的,但仍有額外背景需要補充。。服务器推荐是该领域的重要参考