Local Strategy Combined with a Wavelength Selection Method for Multivariate Calibration.
One of the essential factors influencing the prediction accuracy of multivariate calibration models is the quality of the calibration data. A local regression strategy, together with a wavelength selection approach, is proposed to build the multivariate calibration models based on partial least squares regression. The local algorithm is applied to create a calibration set of spectra similar to the spectrum of an unknown sample; the synthetic degree of grey relation coefficient is used to evaluate the similarity. A wavelength selection method based on simple-to-use interactive self-modeling mixture analysis minimizes the influence of noisy variables, and the most informative variables of the most similar samples are selected to build the multivariate calibration model based on partial least squares regression. To validate the performance of the proposed method, ultraviolet-visible absorbance spectra of mixed solutions of food coloring analytes in a concentration range of 20-200 µg/mL is measured. Experimental results show that the proposed method can not only enhance the prediction accuracy of the calibration model, but also greatly reduce its complexity.
School of Instrumentation Science &amp; Opto-Electronics Engineering, Beihang University, Beijing 100191, China. changhaitao2005@126.com.
Haitao
H
Chang
Beijing Key Laboratory for Optoelectronic Measurement Technology, Beijing Information Science &amp; Technology University, Beijing 100192, China. zhulianqing@sina.com.
Lianqing
L
Zhu
Beijing Key Laboratory for Optoelectronic Measurement Technology, Beijing Information Science &amp; Technology University, Beijing 100192, China. louxiaoping@bistu.edu.cn.
Xiaoping
X
Lou
Beijing Key Laboratory for Optoelectronic Measurement Technology, Beijing Information Science &amp; Technology University, Beijing 100192, China. mengxc@bistu.edu.cn.
Xiaochen
X
Meng
Beijing Key Laboratory for Optoelectronic Measurement Technology, Beijing Information Science &amp; Technology University, Beijing 100192, China. guoyangkuan@tsinghua.org.cn.
Yangkuan
Y
Guo
School of Instrumentation Science &amp; Opto-Electronics Engineering, Beihang University, Beijing 100191, China. mewan@buaa.edu.cn.
Zhongyu
Z
Wang
local algorithm; multivariate calibration; partial least squares regression; ultraviolet-visible absorbance spectra; wavelength selection