Adaptive Pruning for Increased Robustness and Reduced Computational Overhead in Gaussian Process Accelerated Saddle Point Searches
自适应剪枝以提高鲁棒性并减少计算开销在高斯过程加速鞍点搜索中
机构 * Rohit Goswami Institute IMX and Lab-COSMO（Rohit Goswami 实验室IMX和Lab-COSMO） ； École polytechnique fédérale de Lausanne (EPFL)（联邦理工学院洛桑校区） ； Science Institute & Faculty of Physical Sciences University of Iceland（冰岛大学科学研究院及物理科学学院）
AI总结 本文提出了一种自适应剪枝方法，通过优化传输度量和主动剪枝策略，提升高斯过程在高维鞍点搜索中的鲁棒性和计算效率。
Comments Invited article for the ChemPhysChem special issue dedicated to the 60th birthday of Prof. Debabrata Goswami. A preliminary version of this work was presented at the UNOOS 2025 conference
