PLS在分析两水平析因试验设计中的特性

IF 2.3 4区 化学 Q1 SOCIAL WORK Journal of Chemometrics Pub Date : 2024-10-25 DOI:10.1002/cem.3620
Joan Borràs-Ferrís, Abel Folch-Fortuny, Alberto Ferrer
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引用次数: 0

摘要

我们在这里提出了一种新的方法来分析来自两水平析因实验设计的数据,有或没有缺失运行,只有一种方法:具有一个响应变量的偏最小二乘回归(PLS1,以下简称PLS)。这个特性对从业者来说非常有吸引力,因为据我们所知,没有其他统计工具具有类似的通用性。在全因子和分数因子设计的情况下,单pls成分模型产生与多元线性回归(MLR)相同的分析解,不仅在估计效果方面,而且在其统计显著性方面。当在析因设计中有缺失运行时,PLS是特别有趣的,因为它是处理复杂相关结构时的强大工具,与MLR相反。因此,我们挑战广泛持有的观点,即PLS仅在处理非实验设计(即相关观测数据)时有用。该方法是由两个说明性的例子说明,并综合了一个易于遵循的路线图,对从业者有用。
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On the Properties of PLS for Analyzing Two-Level Factorial Experimental Designs

We present here a novel methodology to analyze data from two-level factorial experimental designs, with or without missing runs, with just one method: partial least squares regression with one response variable (PLS1, hereinafter PLS). This property is very attractive for practitioners because, to the best of our knowledge, no other statistical tool has comparable versatility. In the case of a full and fractional factorial design, the one-PLS component model yields the same analytical solution as multiple linear regression (MLR), not only in the estimation of the effects but also in their statistical significance. When having missing runs in the factorial design, PLS is of particular interest as it is a powerful tool when dealing with complex correlation structures, as opposed to MLR. Thus, we challenge the widely held view that PLS is useful only when dealing with nonexperimental design (i.e., correlated observational data). The methodology is illustrated by two illustrative examples and synthesized by an easy-to-follow route map useful for practitioners.

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来源期刊
Journal of Chemometrics
Journal of Chemometrics 化学-分析化学
CiteScore
5.20
自引率
8.30%
发文量
78
审稿时长
2 months
期刊介绍: The Journal of Chemometrics is devoted to the rapid publication of original scientific papers, reviews and short communications on fundamental and applied aspects of chemometrics. It also provides a forum for the exchange of information on meetings and other news relevant to the growing community of scientists who are interested in chemometrics and its applications. Short, critical review papers are a particularly important feature of the journal, in view of the multidisciplinary readership at which it is aimed.
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