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Bayesian optimization package: PHYSBO

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Mendeley Data2026-04-09 收录
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PHYSBO (optimization tools for PHYSics based on Bayesian Optimization) is a Python library for fast and scalable Bayesian optimization. It has been developed mainly for application in the basic sciences such as physics and materials science. Bayesian optimization is used to select an appropriate input for experiments/simulations from candidate inputs listed in advance in order to obtain better output values with the help of machine learning prediction. PHYSBO can be used to find better solutions for both single and multi-objective optimization problems. At each cycle in the Bayesian optimization, a single proposal or multiple proposals can be obtained for the next experiments/simulations. These proposals can be obtained interactively for use in experiments. PHYSBO is available at https://github.com/issp-center-dev/PHYSBO.

PHYSBO(基于贝叶斯优化(Bayesian Optimization)的物理学优化工具)是一款支持快速且可扩展贝叶斯优化的Python库,主要面向物理学、材料科学等基础科学领域的应用开发。贝叶斯优化借助机器学习预测能力,可从预先列出的候选输入参数中筛选适配实验或模拟的输入,以获取更优的输出结果。PHYSBO可用于求解单目标与多目标优化问题,寻找更优解决方案。在贝叶斯优化的每一轮迭代周期中,可生成单次或多次推荐结果用于后续的实验或模拟;这些推荐结果可通过交互方式获取,以供实验使用。PHYSBO的开源获取地址为:https://github.com/issp-center-dev/PHYSBO。

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