混合最小二乘法-总最小二乘法问题的高斯-牛顿法

IF 16.4 1区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY
Qiaohua Liu, Shan Wang, Yimin Wei
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引用次数: 0

摘要

通过混合最小二乘法-总最小二乘法(MTLS)模型,可以通过最小化一个非线性函数来求解A的某些列无误的近似线性方程\(Ax\approx b\) 。本文主要研究 MTLS 问题的高斯-牛顿迭代。在初始向量选择适当的情况下,标准高斯-牛顿方法的每一步迭代都需要求解一个较小的最小二乘问题,其中系数矩阵的 QR 需要进行秩一修正。为了提高收敛性,我们通过引入松弛因子设计了一种松弛高斯-牛顿(RGN)方法,并提供了收敛结果。收敛性与 [A, b] 的子空间限制奇异值平方的比率密切相关。RGN 也可用于求解总最小二乘(TLS)问题。将 RGN 方法应用于 Bursa-Wolf 模型的参数估计,数值结果表明基于 RGN 的 MTLS 方法比基于 RGN 的 TLS 方法表现得更好。数值测试也说明了 RGN-MTLS 算法的理论收敛特性。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

A Gauss–Newton method for mixed least squares-total least squares problems

A Gauss–Newton method for mixed least squares-total least squares problems

The approximate linear equation \(Ax\approx b\) with some columns of A error-free can be solved via mixed least squares-total least squares (MTLS) model by minimizing a nonlinear function. This paper is devoted to the Gauss–Newton iteration for the MTLS problem. With an appropriately chosen initial vector, each iteration step of the standard Gauss–Newton method requires to solve a smaller-size least squares problem, in which the QR of the coefficient matrix needs a rank-one modification. To improve the convergence, we devise a relaxed Gauss–Newton (RGN) method by introducing a relaxation factor and provide the convergence results as well. The convergence is shown to be closely related to the ratio of the square of subspace-restricted singular values of [Ab]. The RGN can also be modified to solve the total least squares (TLS) problem. Applying the RGN method to a Bursa–Wolf model in parameter estimation, numerical results show that the RGN-based MTLS method behaves much better than the RGN-based TLS method. Theoretical convergence properties of the RGN-MTLS algorithm are also illustrated by numerical tests.

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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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