A segmented PLS method based on genetic algorithm

被引:11
作者
Huang, Guangzao [1 ]
Ruan, Xiukai [1 ]
Chen, Xiaojing [1 ]
Lin, Dongxiu [1 ]
Liu, Wenbin [1 ]
机构
[1] Wenzhou Chashan Univ Town, Coll Phys & Elect Engn Informat, Key Lab Low Voltage Apparat Intellectual Technol, Wenzhou, Zhejiang, Peoples R China
基金
中国国家自然科学基金;
关键词
PARTIAL LEAST-SQUARES; NEAR-INFRARED SPECTROSCOPY; SUPPORT VECTOR REGRESSION; RAPID-DETERMINATION; RIDGE-REGRESSION; TUTORIAL; TRANSFORM; SPECTRA; SYSTEM; KPLS;
D O I
10.1039/c3ay41765d
中图分类号
O65 [分析化学];
学科分类号
070302 ; 081704 ;
摘要
Partial least square regression (PLS) establishes a multivariate linear regression model, which has low ability to make a nonlinear relationship between independent variables and dependent variables. Therefore, traditional PLS models are not able to reflect the nonlinear attributes of the sample sets very well. In order to obtain a nonlinear approximation in the multivariate analysis, a segmented PLS model based on genetic algorithm (GS-PLS) is proposed. In this method, the optimal segmentation mode of samples was directly sought based on the genetic algorithm, then, a PLS model was established for the sample subset, and a smooth continuous nonlinear PLS model was obtained with the interpolation function. The effectiveness of GS- PLS model was verified by a simulation dataset and three near infrared spectroscopy datasets of tablet, corn and meat. The results show that the proposed GS- PLS method is more robust than the segmented PLS model based on the iterative algorithm. Therefore, it has a stronger modeling ability for analyzing nonlinear data. In addition, the improvement effect of the proposed method for the PLS model was analyzed in this study. It was proven that the proposed method was a valid method to increase the effectiveness of PLS models for processing nonlinear data. The method also shows a significant improvement when the nonlinear relationship is the main factor restricting the effect of the PLS model.
引用
收藏
页码:2900 / 2908
页数:9
相关论文
共 33 条
[1]  
Aarhus L., 1994, THESIS U OSLO NORWAY
[2]   Improving support vector machine classifiers by modifying kernel functions [J].
Amari, S ;
Wu, S .
NEURAL NETWORKS, 1999, 12 (06) :783-789
[3]  
Centner V., 1998, ANAL CHIM ACTA, V19, P415
[4]   Detecting the quality of glycerol monolaurate: A method for using Fourier transform infrared spectroscopy with wavelet transform and modified uninformative variable elimination [J].
Chen, Xiaojing ;
Wu, Di ;
He, Yong ;
Liu, Shou .
ANALYTICA CHIMICA ACTA, 2009, 638 (01) :16-22
[5]   Application of a Hybrid Variable Selection Method for Determination of Carbohydrate Content in Soy Milk Powder Using Visible and Near Infrared Spectroscopy [J].
Chen, Xiaojing ;
Lei, Xinxiang .
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, 2009, 57 (02) :334-340
[6]   SUPPORT-VECTOR NETWORKS [J].
CORTES, C ;
VAPNIK, V .
MACHINE LEARNING, 1995, 20 (03) :273-297
[7]   NIR data set is the object of a chemometric contest at 'Chimiometrie 2004' [J].
Dardenne, P ;
Pierna, JAF .
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS, 2006, 80 (02) :236-242
[8]   An Improved Genetic Algorithm for the Distributed and Flexible Job-shop Scheduling problem [J].
De Giovanni, L. ;
Pezzella, F. .
EUROPEAN JOURNAL OF OPERATIONAL RESEARCH, 2010, 200 (02) :395-408
[9]   PARTIAL LEAST-SQUARES REGRESSION - A TUTORIAL [J].
GELADI, P ;
KOWALSKI, BR .
ANALYTICA CHIMICA ACTA, 1986, 185 :1-17
[10]   Fourier Transform Infrared (FT-IR) Spectroscopy and Improved Principal Component Regression (PCR) for Quantification of Solid Analytes in Microalgae and Bacteria [J].
Horton, Rebecca B. ;
Duranty, Edward ;
McConico, Morgan ;
Vogt, Frank .
APPLIED SPECTROSCOPY, 2011, 65 (04) :442-453