Reliable and relevant modelling of real world data: a personal account of the development of PLS Regression

Harald Martens

    Research output: Contribution to journalJournal articleResearchpeer-review

    Abstract

    Why and how the Partial Least Squares Regression (PLSR) was developed, is here described from the author's perspective. The paper outlines my frustrating experiences in the 70'ies with two conflicting and equally over-ambitious and oversimplified modelling cultures - in traditional chemistry and in traditional statistics. It describes my mental progress of first learning to combine them into least squares "unmixing" of known chemical mixtures, and later extending this into the "unscrambling" of partially unknown structures as well. The bi- linear regression framework is summarised in terms of the development from Principal Component Regression into the PLSR. Finally, the versatility of the PLSR is discussed in light of the urgent need for better eduacation in scientific data analysis.
    Original languageEnglish
    JournalChemometrics and Intelligent Laboratory Systems
    Volume58
    Issue number2
    Pages (from-to)85-95
    ISSN0169-7439
    Publication statusPublished - 2001

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