Scientific Publications with referee

Analysis of designed experiments by stabilised PLS Regression and jack-knifing.

 

Facts

Year 2001
Abstract Pragmatical, visually oriented methods for assessing and optimising bi-linear regression models are described, and applied to PLS Regression (PLSR) analysis of multi-response data from controlled experiments. The paper outlines some ways to stabilise the PLS method to extend its range of applicability to the analysis of effects in designed experiments. Two ways of pacifying unreliable variables are shown. A method for estimating the reliability of the cross-validated prediction error RMSEP is demonstrated. Some recently developed jack-knifing extensions are illustrated, for estimating the reliability of the linear and bi-linear model parameter estimates. The paper illustrates how the obtained PLSR "significance" probabilities are similar to those from conventional factorial ANOVA, but the PLSR is shown to give important additional overview plots of the main relevant structures in the multi-response data. The study is part of an ongoing effort to establish a cognitively simple and versatile approach to multivariate data analysis, with reliability assessment based on the data at hand, and little need for abstract distribution theory.
Reference Martens, H., Høy, M., Westad, F., Folkenberg, D., Martens, M. 2001. Analysis of designed experiments by stabilised PLS Regression and jack-knifing. Chemometrics and Intelligent Laboratory systems. Special issue: PLS methodology. Vol 58, pp 151-170.
Publisher Chemometrics and Intelligent Laboratory systems. Special issue: PLS methodology.

Related persons

  • Harald Martens

    Senior Research Scientist/Prof II, Centre for Integrative Genetics (CIGENE), UMB/Adj.prof. Univ of Copenhagen, Denmark

    Phone: +47 64970291

    Cellphone: +47 950 75 025

  • Martin Høy

    Research Scientist

    Phone: +47 64970338

  • Magni Martens

    Senior Research Scientist / Professor of Sensory Science (h.c.) affiliated to Univ. of Copenhagen, DK

    Phone: +47 64970420

    Cellphone: +47 481 34 856