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Partial least squares for discrimination
Abstract
Partial least squares (PLS) was not originally designed as a tool for statistical discrimination. In spite of this, applied scientists routinely use PLS for classification and there is substantial empirical evidence to suggest that it performs well in that role. The interesting question is: why can a procedure that is principally designed for overdetermined regression problems locate and emphasize group structure? Using PLS in this manner has heurestic support owing to the relationship between PLS and canonical correlation analysis (CCA) and the relationship, in turn, between CCA and linear discriminant analysis (LDA). This paper replaces the heuristics with a formal statistical explanation. As a consequence, it will become clear that PLS is to be preferred over PCA when discrimination is the goal and dimension reduction is needed. Copyright © 2003 John Wiley & Sons, Ltd.
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Citations
Cites
The multivariate calibration problem in chemistry solved by the PLS method
Wold, S., Martens, H., & Wold, H. (1983) · Lecture notes in mathematics · doi:10.1007/bfb0062108 · Cited by 1,185
Cited by
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Kuhn, M. (2008) · Journal of Statistical Software · doi:10.18637/jss.v028.i05 · Cited by 8,863
mixOmics: An R package for ‘omics feature selection and multiple data integration
Rohart, F., Gautier, B., Singh, A., & Lê Cao, K.-A. (2017) · PLOS Computational Biology · doi:10.1371/journal.pcbi.1005752 · Cited by 4,056
Assessment of PLSDA Cross Validation
Westerhuis, J. A., Hoefsloot, H. C. J., Smit, S., Vis, D. J., Smilde, A. K., van Velzen, E. J. J., van Duijnhoven, J. P. M., & van Dorsten, F. A. (2008) · Metabolomics · doi:10.1007/s11306-007-0099-6 · Cited by 1,471
Classification tools in chemistry. Part 1: linear models. PLS-DA
Ballabio, D., & Consonni, V. (2013) · Analytical Methods · doi:10.1039/c3ay40582f · Cited by 1,255
Partial least squares discriminant analysis: taking the magic away
Brereton, R. G., & Lloyd, G. R. (2014) · Journal of Chemometrics · doi:10.1002/cem.2609 · Cited by 803
Metadata
- Authors
- Barker, M., & Rayens, W.
- Venue
- Journal of Chemometrics
- Publisher
- Wiley
- Published
- 2003-03
- Volume
- 17
- Issue
- 3
- Pages
- 166-173
- ISSN
- 0886-9383 (ISSN-L)
- 1099-128X
- OpenAlex
- W2164583936
- Cited by
- 2,841
- References
- 1
- FWCI
- 22.49
- Type
- journal article
- Language
- en
- Open access
- closed
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