Adaptive pruning for increased robustness and reduced computational overhead ...

<p>Gaussian process (GP) regression provides a strategy for accelerating saddle point searches on high-dimensional energy surfaces by reducing the number of times the...高斯过程（Gaussian Process，GP）回归提供了一种策略，可通过减少相关操作的执行次数，实现高维能量曲面上鞍点搜索的加速。