Recent developments in CANDECOMP/PARAFAC algorithms: a critical review

被引:190
作者
Faber, NM
Bro, R
Hopke, PK
机构
[1] Royal Vet & Agr Univ, DK-1958 Frederiksberg C, Denmark
[2] ATO, Dept Prod & Control Syst, NL-6700 AA Wageningen, Netherlands
[3] Clarkson Univ, Dept Chem Engn, Potsdam, NY 13699 USA
关键词
trilinear; overfactoring; algorithm comparison; speed;
D O I
10.1016/S0169-7439(02)00089-8
中图分类号
TP [自动化技术、计算机技术];
学科分类号
0812 ;
摘要
Several recently proposed algorithms for fitting the PARAFAC model are investigated and compared to more established alternatives. Alternating least squares (ALS), direct trilinear decomposition (DTLD), alternating trilinear decomposition (ATLD), self-weighted alternating trilinear decomposition (SWATLD), pseudo alternating least squares (PALS), alternating coupled vectors resolution (ACOVER), alternating slice-wise diagonalization (ASD) and alternating coupled matrices resolution (ACOMAR) are compared on both simulated and real data. For the recent algorithms, only unconstrained three-way models can be fitted. In contrast, for example, ALS allows modeling of higher-order data, as well as incorporating constraints on the parameters and handling of missing data. Nevertheless, for three-way data, the newer algorithms are interesting alternatives. It is found that the ALS estimated models are generally of a better quality than any of the alternatives even when overfactoring the model, but it is also found that ALS is significantly slower. Based on the results (in particular the poor performance of DTLD), it is advised that (a slightly modified) ASD may be a good alternative to ALS when a faster algorithm is desired. (C) 2002 Elsevier Science B.V. All rights reserved.
引用
收藏
页码:119 / 137
页数:19
相关论文
共 72 条
[1]   The N-way Toolbox for MATLAB [J].
Andersson, CA ;
Bro, R .
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS, 2000, 52 (01) :1-4
[2]  
[Anonymous], 1990, Journal ofChemometrics, DOI DOI 10.1002/CEM.1180040105
[3]  
[Anonymous], 1971, GEN INVERSES MATRICE
[4]  
[Anonymous], 1984, RES METHODS MULTIMOD
[5]   Analysis of the effect of crystal size and color distribution on fluorescence measurements of solid sugar using chemometrics [J].
Baunsgaard, D ;
Munck, L ;
Norgaard, L .
APPLIED SPECTROSCOPY, 2000, 54 (11) :1684-1689
[6]  
Baunsgaard D., 1999, FACTORS AFFECTING 3
[7]   Three-way multivariate calibration procedures applied to high-performance liquid chromatography coupled with fast-scanning fluorescence spectrometry detection.: Determination of polycyclic aromatic hydrocarbons in water samples [J].
Beltrán, JL ;
Guiteras, J ;
Ferrer, R .
ANALYTICAL CHEMISTRY, 1998, 70 (09) :1949-1955
[8]  
Bijlsma S, 1999, J CHEMOMETR, V13, P311, DOI 10.1002/(SICI)1099-128X(199905/08)13:3/4<311::AID-CEM539>3.0.CO
[9]  
2-9
[10]   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