二次大化-最小化的诉求

IF 16.4 1区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY
Marc C. Robini, Lihui Wang, Yuemin Zhu
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引用次数: 0

摘要

主要化-最小化(MM)是一种通用的优化技术,可对满足切线和支配条件的代用函数进行操作。我们的重点是使用二次代函数的非精确 MM 进行可微分优化,这相当于近似求解一系列对称正定系统。我们首先研究了这一过程的收敛特性,从亚收敛到 R 线性收敛,重点是驯服目标。然后,我们提供了一种基于截断共轭梯度的数值稳定实现方法。我们讨论了多维缩放和正则化反演的应用,并通过图形布局和 X 射线断层扫描的数值实验进行了说明。最后,二次 MM 不仅在收敛性和稳定性方面提供了可靠保证,而且对其控制参数的选择也很稳健。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

The appeals of quadratic majorization–minimization

The appeals of quadratic majorization–minimization

Majorization–minimization (MM) is a versatile optimization technique that operates on surrogate functions satisfying tangency and domination conditions. Our focus is on differentiable optimization using inexact MM with quadratic surrogates, which amounts to approximately solving a sequence of symmetric positive definite systems. We begin by investigating the convergence properties of this process, from subconvergence to R-linear convergence, with emphasis on tame objectives. Then we provide a numerically stable implementation based on truncated conjugate gradient. Applications to multidimensional scaling and regularized inversion are discussed and illustrated through numerical experiments on graph layout and X-ray tomography. In the end, quadratic MM not only offers solid guarantees of convergence and stability, but is robust to the choice of its control parameters.

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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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