Solution polishing via path relinking for continuous black-box optimization

IF 16.4 1区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY
Dimitri J. Papageorgiou, Jan Kronqvist, Asha Ramanujam, James Kor, Youngdae Kim, Can Li
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Abstract

When faced with a limited budget of function evaluations, state-of-the-art black-box optimization (BBO) solvers struggle to obtain globally, or sometimes even locally, optimal solutions. In such cases, one may pursue solution polishing, i.e., a computational method to improve (or “polish”) an incumbent solution, typically via some sort of evolutionary algorithm involving two or more solutions. While solution polishing in “white-box” optimization has existed for years, relatively little has been published regarding its application in costly-to-evaluate BBO. To fill this void, we explore two novel methods for performing solution polishing along one-dimensional curves rather than along straight lines. We introduce a convex quadratic program that can generate promising curves through multiple elite solutions, i.e., via path relinking, or around a single elite solution. In comparing four solution polishing techniques for continuous BBO, we show that solution polishing along a curve is competitive with solution polishing using a state-of-the-art BBO solver.

Abstract Image

通过路径重链接对连续黑箱优化的解决方案进行打磨
面对有限的函数评估预算,最先进的黑盒优化(BBO)求解器很难获得全局最优解,有时甚至是局部最优解。在这种情况下,人们可能会寻求解决方案抛光,即改进(或 "抛光")现有解决方案的计算方法,通常是通过某种涉及两个或多个解决方案的进化算法。虽然 "白盒 "优化中的解决方案抛光已存在多年,但有关其在高评估成本的 BBO 中应用的文章却相对较少。为了填补这一空白,我们探索了两种沿一维曲线而非直线进行解抛光的新方法。我们引入了一种凸二次方程程序,它可以通过多个精英解(即通过路径重链接)或围绕单个精英解生成有希望的曲线。在比较连续 BBO 的四种解抛光技术时,我们发现沿曲线抛光的解与使用最先进的 BBO 求解器抛光的解相比具有竞争力。
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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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