约束和线性约束无导数优化的全低评估方法

IF 16.4 1区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY
C. W. Royer, O. Sohab, L. N. Vicente
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引用次数: 0

摘要

无导数优化(DFO)是指在不依赖导数的情况下找到目标函数的最佳值。为了解决这类问题,我们可以利用有限差分估计等方法建立近似导数。也可以设计算法策略,进行空间探索,寻求对当前点的改进。第一种策略通常能为平滑问题提供良好的性能,但代价是需要进行更多的函数评估。第二种策略成本更低,通常能更好地处理目标中的非平稳性或噪声。最近,有人提出了全低评估方法,作为 DFO 算法的混合类,将这两种策略结合起来,分别称为全评估和低评估。在无约束情况下,这些方法显示出良好的数值性能。在本文中,我们将全低评估框架扩展到有约束和线性约束的无导数优化。我们推导了该框架实例的收敛结果,该实例结合了有限差分准牛顿步骤和概率直接搜索步骤。前者投影到可行集上,而后者则定义在由附近主动约束确定的切线锥内。我们在标准线性约束问题上说明了我们的实例的实际性能,并对其进行了调整,以引入噪声评估和非平稳性。在所有情况下,我们的方法都优于仅依赖全值或低值迭代的算法。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Full-low evaluation methods for bound and linearly constrained derivative-free optimization

Full-low evaluation methods for bound and linearly constrained derivative-free optimization

Derivative-free optimization (DFO) consists in finding the best value of an objective function without relying on derivatives. To tackle such problems, one may build approximate derivatives, using for instance finite-difference estimates. One may also design algorithmic strategies that perform space exploration and seek improvement over the current point. The first type of strategy often provides good performance on smooth problems but at the expense of more function evaluations. The second type is cheaper and typically handles non-smoothness or noise in the objective better. Recently, full-low evaluation methods have been proposed as a hybrid class of DFO algorithms that combine both strategies, respectively denoted as Full-Eval and Low-Eval. In the unconstrained case, these methods showed promising numerical performance. In this paper, we extend the full-low evaluation framework to bound and linearly constrained derivative-free optimization. We derive convergence results for an instance of this framework, that combines finite-difference quasi-Newton steps with probabilistic direct-search steps. The former are projected onto the feasible set, while the latter are defined within tangent cones identified by nearby active constraints. We illustrate the practical performance of our instance on standard linearly constrained problems, that we adapt to introduce noisy evaluations as well as non-smoothness. In all cases, our method performs favorably compared to algorithms that rely solely on Full-eval or Low-eval iterations.

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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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