Solving the puzzle: Simulation of multivariate data with control over the structure of columns and rows using the two-sided orthogonal procrustes problem

IF 3.8 2区 化学 Q2 AUTOMATION & CONTROL SYSTEMS
Francisco Arteaga , José Camacho , Alberto Ferrer
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引用次数: 0

Abstract

Researchers interested in developing new multivariate statistical methods often need to be able to generate multivariate datasets with specific characteristics to test the effectiveness of their data analysis algorithms under specific conditions.
In this paper, we present a family of methods for generating multivariate centred datasets by simultaneously controlling features of the cross-product matrices X⊤X and XX⊤. This provides an interesting trade-off to control for the variance structure in the data, important for the family of algorithms that operate on the data matrix, like, e.g., Principal Component Analysis, and control for the distances among objects, important for algorithms that operate on the distance matrix, like Multidimensional Scaling. The proposed methods form a general framework that can be understood as a jigsaw puzzle, joining pieces obtained from the spectral decomposition of a target covariance matrix and the singular value decomposition of a target data matrix. These methods have in common that they are derived from a two-sided orthogonal Procrustes problem.
解决难题:用双侧正交procrustes问题控制多变量数据的列和行结构的模拟
对开发新的多元统计方法感兴趣的研究人员通常需要能够生成具有特定特征的多元数据集,以测试其数据分析算法在特定条件下的有效性。在本文中,我们提出了一组通过同时控制交叉积矩阵X, X和XX, X的特征来生成多元中心数据集的方法。这为控制数据中的方差结构提供了一个有趣的权衡,这对于在数据矩阵上操作的算法家族很重要,例如,主成分分析,以及控制对象之间的距离,对于在距离矩阵上操作的算法很重要,例如多维缩放。所提出的方法形成了一个总体框架,可以理解为拼图游戏,将从目标协方差矩阵的谱分解和目标数据矩阵的奇异值分解中获得的碎片连接起来。这些方法的共同之处在于它们都是由一个双边正交的Procrustes问题导出的。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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来源期刊
CiteScore
7.50
自引率
7.70%
发文量
169
审稿时长
3.4 months
期刊介绍: Chemometrics and Intelligent Laboratory Systems publishes original research papers, short communications, reviews, tutorials and Original Software Publications reporting on development of novel statistical, mathematical, or computer techniques in Chemistry and related disciplines. Chemometrics is the chemical discipline that uses mathematical and statistical methods to design or select optimal procedures and experiments, and to provide maximum chemical information by analysing chemical data. The journal deals with the following topics: 1) Development of new statistical, mathematical and chemometrical methods for Chemistry and related fields (Environmental Chemistry, Biochemistry, Toxicology, System Biology, -Omics, etc.) 2) Novel applications of chemometrics to all branches of Chemistry and related fields (typical domains of interest are: process data analysis, experimental design, data mining, signal processing, supervised modelling, decision making, robust statistics, mixture analysis, multivariate calibration etc.) Routine applications of established chemometrical techniques will not be considered. 3) Development of new software that provides novel tools or truly advances the use of chemometrical methods. 4) Well characterized data sets to test performance for the new methods and software. The journal complies with International Committee of Medical Journal Editors'' Uniform requirements for manuscripts.
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