Variable Selection for Partial Least-Squares Calibration of Near-Infrared Data from Orthogonally Designed Experiments

2002 ◽  
Vol 56 (3) ◽  
pp. 337-345 ◽  
Author(s):  
S. Kamaledin Setarehdan ◽  
John J. Soraghan ◽  
David Littlejohn ◽  
Daran A. Sadler
2019 ◽  
Vol 11 (36) ◽  
pp. 4593-4599
Author(s):  
Shaohui Yu ◽  
Jing Liu

A weighted clustering and pruning of wavelength variables-partial least squares (WCPV-PLS) method was proposed.


2018 ◽  
Vol 26 (2) ◽  
pp. 95-100 ◽  
Author(s):  
Yanjie Li ◽  
Wenhao Shao ◽  
Ruxiang Dong ◽  
Jingmin Jiang ◽  
Songfeng Diao

In this study, near infrared spectroscopy has been demonstrated to quickly determine the saponin content in soapnut fruits. Partial least squares analysis combined with pre-processing methods and significance multivariate correlation variable selection was introduced to develop a statistical model calibrated for saponin content in soapnut fruits. The results showed that the first derivative yielded the best partial least squares calibration models with spectra of both the surface of dried fruits and the powder of dry seeded fruits with root mean square error of calibration values of 0.85% and 0.59%, respectively. The surface model presented less accuracy than the powder model. However, when the significance multivariate correlation variable selection method was applied to select the best variables from the spectra, the partial least squares models using spectra of surface and powder samples became similar, with higher R2 values (0.84 and 0.90), lower root mean square error of calibration values of 0.23% and 0.39%. It was suggested that near infrared spectroscopy could be a promising and rapid method for predicting the saponin content in the soapnut fruits without grinding them into powder.


2018 ◽  
Vol 2018 ◽  
pp. 1-9 ◽  
Author(s):  
Lianqing Zhu ◽  
Haitao Chang ◽  
Qun Zhou ◽  
Zhongyu Wang

In order to improve the classification accuracy of Chinese Salvia miltiorrhiza using near-infrared spectroscopy, a novel local variable selection strategy is thus proposed. Combining the strengths of the local algorithm and interval partial least squares, the spectra data have firstly been divided into several pairs of classes in sample direction and equidistant subintervals in variable direction. Then, a local classification model has been built, and the most proper spectral region has been selected based on the new evaluation criterion considering both classification error rate and best predictive ability under the leave-one-out cross validation scheme for each pair of classes. Finally, each observation can be assigned to belong to the class according to the statistical analysis of classification results of the local classification model built on selected variables. The performance of the proposed method was demonstrated through near-infrared spectra of cultivated or wild Salvia miltiorrhiza, which are collected from 8 geographical origins in 5 provinces of China. For comparison, soft independent modelling of class analogy and partial least squares discriminant analysis methods are, respectively, employed as the classification model. Experimental results showed that classification performance of the classification model with local variable selection was obvious better than that without variable selection.


Fuel ◽  
2017 ◽  
Vol 193 ◽  
pp. 39-44 ◽  
Author(s):  
Diana Catalina Palacio Lozano ◽  
Jorge Armando Orrego-Ruiz ◽  
Rafael Cabanzo Hernández ◽  
Jáder Enrique Guerrero ◽  
Enrique Mejía-Ospino

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