A two-stage regression approach for spectroscopic quantitative analysis
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Date
2011
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Elsevier - Chemometrics and Intelligent Laboratory Systems
Abstract
In this paper, we propose a two-stage regression approach,which is based on the residual correction concept. Its underlying idea is to correct any given regressor by analyzing and modeling its residual errors in the input space. Wereport and discuss results of experiments conducted on three different datasets in infrared spectroscopy and designed in such away to test the proposed approach by: 1) varying the kind of adopted regressionmethod used to approximate the chemical parameter of interest. Partial least squares regression (PLSR), support vector machines (SVM) and radial basis function neural network (RBF) methods are considered; 2) adopting or not a feature selection strategy to reduce the dimension of the space where to perform the regression task. A comparative studywith another approachwhich exploits differently estimation errors, namely adaptive boosting for regression (AdaBoost.R), is also included. The obtained results point out that the residual-based correction approach (RBC) can improve the accuracy of the estimation process. Not all the improvements are statistically significant but, at the same time, no case of accuracy decrease has been observed.