An overview of variable selection methods in multivariate analysis of near-infrared spectra

Publication date: Available online 2 February 2019Source: TrAC Trends in Analytical ChemistryAuthor(s): Yong-Huan Yun, Hong-Dong Li, Bai-Chuan Deng, Dong-Sheng CaoAbstractWith the advances in innovative instrumentation and various valuable applications, near-infrared (NIR) spectroscopy has become a mature analytical technique in various fields. Variable (wavelength) selection is a critical step in multivariate calibration of NIR spectra, which can improve the prediction performance, make the calibration reliable and provide simpler interpretation. During the last several decades, there have been a large number of variable selection methods proposed in NIR spectroscopy. In this paper, we generalize variable selection methods in a simple manner to introduce their classifications, merits and drawbacks, to provide a better understanding of their characteristics, similarities and differences. We also introduce some hybrid and modified methods, highlighting their improvements. Finally, we summarize the limitations of existing variable selection methods, providing our remarks and suggestions on the development of variable selection methods, to promote the development of NIR spectroscopy.

Source: TrAC Trends in Analytical Chemistry - February 2, 2019 Category: Chemistry Source Type: research