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Parsimonious and robust multivariate calibration with rational function Least Absolute Shrinkage and Selection Operator and rational function Elastic Net
Authors:P. Teppola  V.-M. Taavitsainen
Affiliation:1. VTT Technical Research Centre of Finland, Photonic Devices and Measurement Solutions, P.O. Box 1199, FI-70211 Kuopio, Finland;2. Helsinki Metropolia University of Applied Sciences, P.O. Box 4000, Bulevardi 31, FI-00079 Metropolia, Finland
Abstract:This paper presents new methods for multivariate calibration. A unique aspect is that this approach uses rational functions with either Least Absolute Shrinkage and Selection Operator (LASSO) or Elastic Net (ENET), and builds parsimonious models in an automated way via cross-validation. Rational function modeling provides robustness, as will be briefly demonstrated. Interestingly, rational function models are also flexible, in that occasionally they are reduced to ordinary linear models based on cross-validation. Thus, model complexity is not forced to take the form of rational functions.
Keywords:Chemometrics   Multivariate calibration   Rational function   LASSO   Elastic Net   RF-ENET   Multi-point   NIR
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