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A novel wavelength interval selection based on split regularized regression for spectroscopic data

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Abstract

Wavelength selection has become a critical step in the analysis for near-infrared (NIR) spectroscopy with high co-linearity and large number of spectral variables. In this study, a novel wavelength interval selection method based on split regularized regression and partial least squares (SplitReg-PLS) is developed. SplitReg-PLS is a two-step approach, which combines the advantage of the SplitReg and PLS methods. SplitReg presents interesting properties, which can split the variables into groups and pool the regularized estimation of the regression coefficients together as groups. The PLS regression is one of the most popular methods for multivariate calibration, and is performed on the selected group variables by using the SplitReg. The SplitReg-PLS method can automatically select successive strongly correlated and interpretable spectral variables related to the response, which provides a flexible framework for variable selection. The performance of the proposed procedure is evaluated by three real NIR datasets. The results indicate that SplitReg-PLS is a good wavelength interval selection strategy.

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Acknowledgements

This study is financially supported by Hunan Provincial Department of Education Foundation of China (Grant No. 20A086). The study meets with the approval of the university’s review board. We are grateful to all employees of this institute for their encouragement and support of this research.

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Authors and Affiliations

  1. Management School, Hunan City University, Yiyang, 413000, People’s Republic of China

    Xin Huang

  2. School of Chemical and Environmental Engineering, Hunan City University, Yiyang, 413000, People’s Republic of China

    Li Xia

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  1. Xin Huang
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  2. Li Xia
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Correspondence to Xin Huang.

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Huang, X., Xia, L. A novel wavelength interval selection based on split regularized regression for spectroscopic data. J Math Chem 61, 877–892 (2023). https://doi.org/10.1007/s10910-022-01444-6

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