Cyclic subspace regression with analysis of wavelength-selection criteria

Chemometrics and Intelligent Laboratory Systems

Volumn 45, Issue 1-2, 1999, Pages 225-239

  Bakken, Gregory A ^a   Houghton, Tracy P ^a   Kalivas, John H ^a  

^a IDAHO STATE UNIVERSITY   (United States)

Author keywords

Cyclic subspace regression; Linear calibration models; Wavelength selection

Indexed keywords

CHEMOMETRIC ANALYSIS; CONFERENCE PAPER; INFRARED SPECTROSCOPY; NOISE; NONLINEAR SYSTEM; PRINCIPAL COMPONENT ANALYSIS; PRIORITY JOURNAL; REGRESSION ANALYSIS; STATISTICAL MODEL;

EID: 0033580125     PISSN: 01697439     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0169-7439(98)00107-5     Document Type: Conference Paper

References (34)

1. ASTM Publication E 1655: Standard Practices for Infrared, Multivariate, Quantitative Analysis, American Society for Testing and Materials, Philadelphia, 1994.
2. J.H. Kalivas, P.M. Lang, Mathematical Analysis of Spectral Orthogonality, Marcel Dekker, New York, 1994.
3. E.R. Malinowski, Factor Analysis in Chemistry, 2nd edn., Wiley, New York, 1991.
4. Lang P.M., Brenchley J.M., Nieves R.G., Kalivas J.H. Cyclic subspace regression, J. Multivariate Anal. 65:1998;58-70.
5. Brenchley J.M., Lang P.M., G Nieves R., Kalivas J.H. Stabilization of cyclic subspace regression. Chemometr. Intell. Lab. Syst. 41:1998;127-134.
6. Kalivas J.H. Cyclic subspace regression with analysis of the Hat Matrix. Chemometr. Intell. Lab. Syst. 45:1999;211-219.
7. Brenchley J.M., Hörchner U., Kalivas J.H. Wavelength characterization for NIR spectra. Appl. Spectrosc. 51:1997;689-699.
8. J.H. Kalivas, U. Hörchner, Scientific Information Guild, Recent Developments in Applied Spectroscopy, Research Signpost, Trivandrum, India, 1996.
9. Wu W., Walczak B., Massart D.L., Prebble K.A., Last I.R. Spectral transformation and wavelength selection in near-infrared spectra classification. Anal. Chim. Acta. 315:1995;243-255.
10. Centner V., Massart D.L., de Noord O.E., de Jong S., Vandeginste B.M., Sterna C. Elimination of uniformative variables for multivariate calibration. Anal. Chem. 68:1996;3851-3858.
11. Jouan-Rimbaud D., Massart D.L., Leardi R., de Noord O.E. Genetic algorithms as a tool for wavelength selection in multivariate calibration. Anal. Chem. 67:1995;4295-4301.
12. Jouan-Rimbaud D., Khots M.S., Massart D.L., Last I.R., Prebble K.A. Comparison of multivariate methods based on latent vectors and methods based on wavelength selection for the analysis of near-infrared spectroscopic data. Anal. Chim. Acta. 304:1995;285-295.
13. Xie Y.L., Liang Y.Z., Chem Z.G., Huang Z.H., Yu R.Q. A nonlinearity tracking analysis algorithm for treatment of non-linearity in multivariate calibration. Chemometr. Intell. Lab. Syst. 27:1995;21-32.
14. Brown P.J. Wavelength selection in multicomponent near-infrared calibration. J. Chemometr. 6:1992;151-161.
15. Maruardt L.A., Arnold M.A., Small G.W. Near-infrared spectroscopic measurement of glucose in a protein matrix. Anal. Chem. 65:1993;3271-3278.
16. Bangalore A.S., Shaffer R.E., Small G.W., Arnold M.A. Genetic algorithm-based method for selecting wavelengths and model size for use with partial least-squares regression: application to near-infrared spectroscopy. Anal. Chem. 68:1996;4200-4212.
17. Arcos M.J., Ortiz M.C., Villahoz B., Sarabia L.A. Genetic-algorithm based wavelength selection in multicomponent spectrometric determinations by PLS: applications on indomethacin and acemethacin mixture. Anal. Chim. Acta. 339:1997;63-77.
18. Frenich A.G., Jouan-Rimbaud D., Massart D.L., Kuttatharmmakul S., Galera M., Vidal J.L.M. Wavelength selection method for multicomponent spectrophotometric determinations using partial least squares. Analyst. 120:1995;2787-2792.
19. Xu L., Schechter I. Wavelength selection for simultaneous spectroscopic analysis. Anal. Chem. 68:1996;2392-2400.
20. Jouan-Rimbaud D., Massart D.L., de Noord O.E. Random correlation in variable selection for multivariate calibration with genetic algorithm. Chemometr. Intell. Lab. Syst. 35:1996;123-220.
21. Bellon-Mavrel V., Vallat C., Goffiret D. Quantitative analysis of individual sugars during starch hydrolysis by FT-IR/ATR spectrometry. Appl. Spectrosc. 49:1995;556-562.
22. Lowe I.A., McNicol J.W., Luthbertson D.C. A designed experiment for the examination of techniques used in the analysis of near-infrared spectra. Analyst. 110:1985;1227-1232.
23. Brown P.J. Diagnostics and selection for linearity and interaction in calibration with pure and multicomponent spectra. Chemometr. Intell. Lab. Syst. 28:1985;139-148.
24. H. Mark, Principles and Practice of Spectroscopic Calibration, Wiley, New York, 1991.
25. P.J. Brown, M. Varnucci, T. Fern, Technical Report UKC/IMS/1997/35, University of Kent, 1997.
26. Lindgren F., Geladi P., Berglund A., Sjöstrom M., Wold S. Interactive variable selection (IVS) for PLS. Part II: chemical applications. J. Chemometr. 9:1995;331-342.
27. Wehrens R., vanDerLinden W.E. Bootstrapping principal component regression. J. Chemometr. 11:1997;157-171.
28. Norinder U. Single and domain mode variable selection in 3D QSAR applications. J. Chemometr. 10:1996;95-105.
29. Baroni M., Costantino G., Cruciani G., Riganelli D., Valigi R., Clermenti S. Generating optimal linear PLS estimations (GOLPE): an advance chemometric tool for handling 3D-QSAR problems. Quant. Struct.-Act. Relatsh. 12:1993;9-20.
30. Wu W., Rutan S.C., Baldovin A., Massart D.L. Feature selection using the Kalman Filter for classification of multivariate data. Anal. Chim. Acta. 335:1996;11-22.
31. S. Weisberg, Applied Linear Regression, Wiley, 1985.
32. B. Wise, PLS Toolbox, version 1.5, Eigenvector Research, Manson, WA, 1997.
33. Haaland D.M., Thomas E.V. Partial least-squares methods for spectral analysis. Anal. Chem. 60:1988;1193-1202.
34. Seasholtz M.B., Kowalski B.R. Qualitative information from multivariate calibration models. Appl. Spectrosc. 44:1990;1337-1348.