Multivariate calibration - Direct and indirect regression methodology

被引:56
作者
Sundberg, R [1 ]
机构
[1] Stockholm Univ, S-10691 Stockholm, Sweden
关键词
bilinear regression; collinearity; continuum regression; cross-validation; generalized least squares; least squares ridge regression; PCR; PLS; prediction; spectroscopic data;
D O I
10.1111/1467-9469.00144
中图分类号
O21 [概率论与数理统计]; C8 [统计学];
学科分类号
020208 ; 070103 ; 0714 ;
摘要
This paper tries first to introduce and motivate the methodology of multivariate calibration. Next a review is given, mostly avoiding technicalities, of the somewhat messy theory of the subject. Two approaches are distinguished: the estimation approach (controlled calibration) and the prediction approach (natural calibration). Among problems discussed are the choice of estimator, the choice of confidence region, methodology for handling situations with more variables than observations, near-collinearities (,vith countermeasures like ridge type regression, principal components regression, partial least squares regression and continuum regression), pretreatment of data, and cross-validation vs true prediction. Examples discussed in detail concern estimation of the age of a rhinoceros from its horn lengths (low-dimensional), and nitrate prediction in waste-water from high-dimensional spectroscopic measurements.
引用
收藏
页码:161 / 191
页数:31
相关论文
共 69 条
[1]  
[Anonymous], 1990, Journal ofChemometrics, DOI DOI 10.1002/CEM.1180040105
[2]  
[Anonymous], 1959, Regression analysis
[3]  
[Anonymous], STAT J THEOR APPL ST
[4]  
Bjorkstrom A, 1996, J ROY STAT SOC B MET, V58, P703
[5]   A generalized view on continuum regression [J].
Björkström, A ;
Sundberg, R .
SCANDINAVIAN JOURNAL OF STATISTICS, 1999, 26 (01) :17-30
[6]   A 2ND-ORDER STANDARD ADDITION METHOD WITH APPLICATION TO CALIBRATION OF A KINETICS-SPECTROSCOPIC SENSOR FOR QUANTITATION OF TRICHLOROETHYLENE [J].
BOOKSH, K ;
HENSHAW, JM ;
BURGESS, LW ;
KOWALSKI, BR .
JOURNAL OF CHEMOMETRICS, 1995, 9 (04) :263-282
[7]   Predicting multivariate responses in multiple linear regression [J].
Breiman, L ;
Friedman, JH .
JOURNAL OF THE ROYAL STATISTICAL SOCIETY SERIES B-METHODOLOGICAL, 1997, 59 (01) :3-37
[8]  
Bro R, 1996, J CHEMOMETR, V10, P47, DOI 10.1002/(SICI)1099-128X(199601)10:1<47::AID-CEM400>3.3.CO
[9]  
2-3
[10]   JOINT CONTINUUM REGRESSION FOR MULTIPLE PREDICTANDS [J].
BROOKS, R ;
STONE, M .
JOURNAL OF THE AMERICAN STATISTICAL ASSOCIATION, 1994, 89 (428) :1374-1377