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Bayesian optimization package: PHYSBO

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doi.org2025-03-25 收录
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http://doi.org/10.17632/22d72yb6k6.1
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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(基于贝叶斯优化的物理优化工具)是一款Python库,旨在实现快速且可扩展的贝叶斯优化。该库主要针对基础科学领域,如物理学和材料科学的应用而开发。贝叶斯优化通过从预先列出的候选输入中选择合适的实验/模拟输入,利用机器学习预测以获得更优的输出值。PHYSBO能够为单目标和多目标优化问题寻找更优解。在贝叶斯优化的每个周期中,可以获得一个或多个用于后续实验/模拟的提案。这些提案可以通过交互式方式获取,以便在实验中使用。PHYSBO库可在https://github.com/issp-center-dev/PHYSBO获取。
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