Abstract
A simple way to develop non-linear PLS models is presented, INLR (implicit non-linear latent variable regression). The paper shows that by simply added squared x-variables x2a, both the square and cross terms of the latent variables are implicitly included in the resulting PLS model. This approach works when X itself is well modelled by a projection model T*PT. Hence, if a latent structure is present in X, it is not necessary to include the cross terms of the X-variables in the polynomial expansion. Analogously, with cubic non-linearities, expanding X with cubic terms x3a is sufficient. INLR is attractive in that all essential features of PLS are preserved i.e. (a) it can handle many noisy and collinear variables, (b) it is stable and gives reliable results and (c) all PLS plots and diagnostics still apply. The principles of INLR are outlined and illustrated with three chemical examples where INLR improved the modelling and predictions compared with ordinary linear PLS. © 1997 John Wiley & Sons, Ltd.
Keywords
Affiliated Institutions
Related Publications
Partial least squares regression and projection on latent structure regression (PLS Regression)
Abstract Partial least squares (PLS) regression ( a.k.a. projection on latent structures) is a recent technique that combines features from and generalizes principal component a...
Prediction intervals in partial least squares
Partial least squares (PLS) regression has become a popular technique within the chemometric community, particularly for dealing with calibration problems. An important aspect o...
Frameworks for latent variable multivariate regression
A set of frameworks for latent variable multivariate regression method is developed. The first two of these frameworks describe the objective functions satisfied by the latent v...
The GIFI approach to non‐linear PLS modeling
Abstract The GIFI approach to non‐linear modeling involves the transformation of quantitative variables to a set of 1/0 dummies in a similar manner to the way qualitative variab...
A Comparison of Least Squares and Latent Root Regression Estimators
Miilticollinesrity among the columns of regressor variables is known to cause severe distortion of the least squares estimates of the parameters in a multiple linear regression ...
Publication Info
- Year
- 1997
- Type
- article
- Volume
- 11
- Issue
- 2
- Pages
- 141-156
- Citations
- 110
- Access
- Closed
External Links
Social Impact
Social media, news, blog, policy document mentions
Citation Metrics
Cite This
Identifiers
- DOI
- 10.1002/(sici)1099-128x(199703)11:2<141::aid-cem461>3.0.co;2-2