Expand this Topic clickable element to expand a topic
Skip to content
Optica Publishing Group
  • Applied Spectroscopy
  • Vol. 71,
  • Issue 7,
  • pp. 1432-1446
  • (2017)

A Comparative Investigation of the Combined Effects of Pre-Processing, Wavelength Selection, and Regression Methods on Near-Infrared Calibration Model Performance

Not Accessible

Your library or personal account may give you access


Near-infrared (NIR) spectroscopy is being widely used in various fields ranging from pharmaceutics to the food industry for analyzing chemical and physical properties of the substances concerned. Its advantages over other analytical techniques include available physical interpretation of spectral data, nondestructive nature and high speed of measurements, and little or no need for sample preparation. The successful application of NIR spectroscopy relies on three main aspects: pre-processing of spectral data to eliminate nonlinear variations due to temperature, light scattering effects and many others, selection of those wavelengths that contribute useful information, and identification of suitable calibration models using linear/nonlinear regression . Several methods have been developed for each of these three aspects and many comparative studies of different methods exist for an individual aspect or some combinations. However, there is still a lack of comparative studies for the interactions among these three aspects, which can shed light on what role each aspect plays in the calibration and how to combine various methods of each aspect together to obtain the best calibration model. This paper aims to provide such a comparative study based on four benchmark data sets using three typical pre-processing methods, namely, orthogonal signal correction (OSC), extended multiplicative signal correction (EMSC) and optical path-length estimation and correction (OPLEC); two existing wavelength selection methods, namely, stepwise forward selection (SFS) and genetic algorithm optimization combined with partial least squares regression for spectral data (GAPLSSP); four popular regression methods, namely, partial least squares (PLS), least absolute shrinkage and selection operator (LASSO), least squares support vector machine (LS-SVM), and Gaussian process regression (GPR). The comparative study indicates that, in general, pre-processing of spectral data can play a significant role in the calibration while wavelength selection plays a marginal role and the combination of certain pre-processing, wavelength selection, and nonlinear regression methods can achieve superior performance over traditional linear regression-based calibration.

© 2017 The Author(s)

PDF Article
More Like This
Effect of different regression algorithms on the estimating leaf parameters based on selected characteristic wavelengths by using the PROSPECT model

Yangyang Zhang, Jian Yang, Xiuguo Liu, Lin Du, Shuo Shi, Jia Sun, and Biwu Chen
Appl. Opt. 58(36) 9904-9913 (2019)

Rapid detection of talc content in flour based on near-infrared spectroscopy combined with feature wavelength selection

Changhao Bao, Changhao Zeng, Jinming Liu, and Dongjie Zhang
Appl. Opt. 61(19) 5790-5798 (2022)

Rapid determination of the main components of corn based on near-infrared spectroscopy and a BiPLS-PCA-ELM model

Lili Xu, Jinming Liu, Chunqi Wang, Zhijiang Li, and Dongjie Zhang
Appl. Opt. 62(11) 2756-2765 (2023)

Supplementary Material (1)

Supplement 1       Supplemental file.

Cited By

You do not have subscription access to this journal. Cited by links are available to subscribers only. You may subscribe either as an Optica member, or as an authorized user of your institution.

Contact your librarian or system administrator
Login to access Optica Member Subscription

Select as filters

Select Topics Cancel
© Copyright 2024 | Optica Publishing Group. All rights reserved, including rights for text and data mining and training of artificial technologies or similar technologies.