索博尔敏感度指数--利用给定数据动态自适应方差估计器的机器学习方法

IF 16.4 1区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY
Ivano Azzini, Rossana Rosati
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引用次数: 0

摘要

如今,全局敏感性分析已成为一门广受认可的学科,在越来越多的领域得到广泛应用。在全局灵敏度方法中,基于方差的技术和基于蒙特卡罗的与索博尔灵敏度指数相关的估算器因其通用性和易于解释而被广泛采用。通过使用准蒙特卡罗序列、对输入组的研究以及通过性能更高的估计器(如作者最近提出的基于动态自适应方差的创新算法)计算灵敏度指数,可以减少所需的模型评估。本文提出了一种机器学习方法,使我们能够使用出色的动态自适应方差估计器,从一组蒙特卡罗给定数据开始估计索博尔指数。我们对三个相关函数进行了测试。在大多数情况下,测试结果都非常令人满意,而且似乎克服了设计数据方法的限制,保留了索博尔蒙特卡洛估计器的所有优点。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Sobol’ sensitivity indices– A Machine Learning approach using the Dynamic Adaptive Variances Estimator with Given Data
Global sensitivity analysis is today a widely recognized discipline with an extensive application in an increasing number of domains. Today, methodological development and available software, as well as a broader knowledge and debate on the topic, make investigations feasible which were simply impossible or too demanding a few years ago. Among global sensitivity methods, the variance-based techniques and Monte Carlo-based estimators related to Sobol’ sensitivity indices are mostly implemented due to their versatility and easiness of interpretation. Nevertheless, the strict dependency of the analysis cost on the number of the investigated factors and the need of a designed input are still a major issue. A reduction of the required model evaluations can be achieved with the use of quasi-Monte Carlo sequences, the study of groups of inputs, and the sensitivity indices computation through higher performing estimators such as the Innovative Algorithm based on dynamic adaptive variances recently proposed by the authors. However, all these strategies even cutting significantly the necessary model runs are not able to overcome the barrier of a structured input. This paper proposes a machine learning approach that allows us to estimate Sobol’ indices using the outstanding dynamic adaptive variances estimator starting from a set of Monte Carlo given data. Tests have been run on three relevant functions. In most cases, the results are very promising and seem to positively overcome the limit of a design-data approach keeping all the advantages of the Sobol’ Monte Carlo estimator.
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来源期刊
Accounts of Chemical Research
Accounts of Chemical Research 化学-化学综合
CiteScore
31.40
自引率
1.10%
发文量
312
审稿时长
2 months
期刊介绍: Accounts of Chemical Research presents short, concise and critical articles offering easy-to-read overviews of basic research and applications in all areas of chemistry and biochemistry. These short reviews focus on research from the author’s own laboratory and are designed to teach the reader about a research project. In addition, Accounts of Chemical Research publishes commentaries that give an informed opinion on a current research problem. Special Issues online are devoted to a single topic of unusual activity and significance. Accounts of Chemical Research replaces the traditional article abstract with an article "Conspectus." These entries synopsize the research affording the reader a closer look at the content and significance of an article. Through this provision of a more detailed description of the article contents, the Conspectus enhances the article's discoverability by search engines and the exposure for the research.
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