A practical approach for near infrared spectral quantitative analysis of complex samples using partial least squares modeling
作者： ZhiChao Liu , Xiang Ma , YaDong Wen , Yi Wang , WenSheng Cai
DOI: 10.1007/S11426-009-0110-3
关键词:
摘要: The number of latent variables (LVs) or the factor is a key parameter in PLS modeling to obtain correct prediction. Although lots work have been done on this issue, it still difficult task determine suitable LV practical uses. A method named independent diagnostics (IFD) proposed for investigation contribution each predicted results basis discussion about determination near infrared (NIR) spectra complex samples. NIR three data sets samples, including public set and two tobacco lamina ones, are investigated. It shown that several high order LVs constitute main contributions results, albeit low should not be neglected models. Therefore, uses analysis may better use slightly large spectral
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HERMAN WOLD, Model Construction and Evaluation When Theoretical Knowledge Is Scarce: Theory and Application of Partial Least Squares Research Papers in Economics. pp. 47- 74 ,(1980) , 10.1016/B978-0-12-416550-2.50007-8
H.W.Siesler..., Near-infrared spectroscopy:principles,instruments,applications : Wiley-VCH. ,(2002)
Richard G. Brereton, Chemometrics: Data Analysis for the Laboratory and Chemical Plant ,(2003)
Richard A Olshen, Charles J Stone, Leo Breiman, Jerome H Friedman, Classification and regression trees ,(1983)
G. Wahba, S. Wold, A completely automatic french curve: fitting spline functions by cross validation Communications in Statistics-theory and Methods. ,vol. 4, pp. 1- 17 ,(1975) , 10.1080/03610927508827223
S Gourvénec, J.A Fernández Pierna, D.L Massart, D.N Rutledge, An evaluation of the PoLiSh smoothed regression and the Monte Carlo Cross-Validation for the determination of the complexity of a PLS model Chemometrics and Intelligent Laboratory Systems. ,vol. 68, pp. 41- 51 ,(2003) , 10.1016/S0169-7439(03)00086-8
U. Depczynski, K. Jetter, K. Molt, A. Niemöller, Quantitative analysis of near infrared spectra by wavelet coefficient regression using a genetic algorithm Chemometrics and Intelligent Laboratory Systems. ,vol. 47, pp. 179- 187 ,(1999) , 10.1016/S0169-7439(98)00208-1
Svante Wold, Cross-Validatory Estimation of the Number of Components in Factor and Principal Components Models Technometrics. ,vol. 20, pp. 397- 405 ,(1978) , 10.1080/00401706.1978.10489693
Qing-Song Xu, Yi-Zeng Liang, Monte Carlo cross validation Chemometrics and Intelligent Laboratory Systems. ,vol. 56, pp. 1- 11 ,(2001) , 10.1016/S0169-7439(00)00122-2
M.P. Gómez-Carracedo, J.M. Andrade, D.N. Rutledge, N.M. Faber, Selecting the optimum number of partial least squares components for the calibration of attenuated total reflectance-mid-infrared spectra of undesigned kerosene samples. Analytica Chimica Acta. ,vol. 585, pp. 253- 265 ,(2007) , 10.1016/J.ACA.2006.12.036