On the Properties of PLS for Analyzing Two‐Level Factorial Experimental Designs

ABSTRACT 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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Publication Details

Journal
Journal of Chemometrics
Published
2024-10-25
DOI
https://doi.org/10.1002/cem.3620
Citations
2
Primary Topic
Spectroscopy and Chemometric Analyses
Type
article
Field-Weighted Citation Impact
0.47

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article

On the Properties of PLS for Analyzing Two‐Level Factorial Experimental Designs

Abel Folch‐Fortuny, Alberto Ferrer, Joan Borràs‐Ferrís
2 citations
Journal of Chemometrics
Spectroscopy and Chemometric Analyses
0.47
article

On the Properties of PLS for Analyzing Two‐Level Factorial Experimental Designs

Abel Folch‐Fortuny, Alberto Ferrer, Joan Borràs‐Ferrís
article en
2 citations

Abstract

ABSTRACT 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.

Journal of ChemometricsVol. 38(12)
DSM (Netherlands) (NL), Universitat Politècnica de València (ES)
U.S. Department of Energy, American Concrete Institute Foundation, Generalitat Valenciana, Ministerio de Ciencia e Innovación, European Social Fund
Openalex Percentile: Top 41%
Spectroscopy and Chemometric Analyses
0.47
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On the Properties of PLS for Analyzing Two‐Level Factorial Experimental Designs — Abel Folch‐Fortuny, Alberto Ferrer, et al. · Journal of Chemometrics (2024) | TGRS Research Map | TGRS