메뉴 건너뛰기




Volumn 20, Issue 1-2, 2006, Pages 22-33

Tikhonov regularization in standardized and general form for multivariate calibration with application towards removing unwanted spectral artifacts

Author keywords

Noise reduction; Ridge regression; Spectral smoothing; Temperature effects; Tikhonov regularization; Wavelength selection

Indexed keywords

FORECASTING; LEAST SQUARES APPROXIMATIONS; MATRIX ALGEBRA; MEAN SQUARE ERROR; PRINCIPAL COMPONENT ANALYSIS; REGRESSION ANALYSIS; STANDARDIZATION; TEMPERATURE; VECTOR SPACES; VECTORS;

EID: 33847267364     PISSN: 08869383     EISSN: 1099128X     Source Type: Journal    
DOI: 10.1002/cem.975     Document Type: Article
Times cited : (28)

References (39)
  • 2
    • 0013091661 scopus 로고    scopus 로고
    • Hazards of digital smoothing filters as a preprocessing tool in multivariate calibration
    • Brown CD, Wentzell PD. Hazards of digital smoothing filters as a preprocessing tool in multivariate calibration. J. Chemom. 1999; 13: 133-152.
    • (1999) J. Chemom , vol.13 , pp. 133-152
    • Brown, C.D.1    Wentzell, P.D.2
  • 3
    • 0030539889 scopus 로고    scopus 로고
    • Partial least squares regression on smooth factors
    • Goutis C, Fearn T. Partial least squares regression on smooth factors. J. Am. Statist. Assoc. 1996; 91: 627-632.
    • (1996) J. Am. Statist. Assoc , vol.91 , pp. 627-632
    • Goutis, C.1    Fearn, T.2
  • 4
    • 0035914529 scopus 로고    scopus 로고
    • PoLiSh - smoothed partial least squares regression
    • Rutledge DN, Barros A, Delgadillo I. PoLiSh - smoothed partial least squares regression. Anal. Chim. Acta 2001; 446: 281-296.
    • (2001) Anal. Chim. Acta , vol.446 , pp. 281-296
    • Rutledge, D.N.1    Barros, A.2    Delgadillo, I.3
  • 5
    • 0001652215 scopus 로고
    • Representation of spectra by continuous functions
    • Alsberg B. Representation of spectra by continuous functions. J. Chemom. 1993; 7: 177-193.
    • (1993) J. Chemom , vol.7 , pp. 177-193
    • Alsberg, B.1
  • 6
    • 21144472456 scopus 로고
    • Calibration with many variables
    • Denham MC, Brown PJ. Calibration with many variables. Appl. Statist. 1993; 42: 515-528.
    • (1993) Appl. Statist , vol.42 , pp. 515-528
    • Denham, M.C.1    Brown, P.J.2
  • 7
    • 0033079479 scopus 로고    scopus 로고
    • Generalized linear regression on sampled signals and curves: A P-spline approach
    • Marx BD, Eilers PHC. Generalized linear regression on sampled signals and curves: a P-spline approach. Technometrics 1999; 41: 1-13.
    • (1999) Technometrics , vol.41 , pp. 1-13
    • Marx, B.D.1    Eilers, P.H.C.2
  • 8
    • 0000467952 scopus 로고
    • Discussion of a statistical view of some chemometric regression tools
    • Hastie T, Mallows C. Discussion of a statistical view of some chemometric regression tools. Technometrics 1993; 35: 140-143.
    • (1993) Technometrics , vol.35 , pp. 140-143
    • Hastie, T.1    Mallows, C.2
  • 9
    • 0542397878 scopus 로고    scopus 로고
    • Influence of temperature on vibrational spectra and consequences for the predictive ability of multivariate models
    • Wülfert F, Kok WT, Smilde AK. Influence of temperature on vibrational spectra and consequences for the predictive ability of multivariate models. Anal. Chem. 1998; 70: 1761-1767.
    • (1998) Anal. Chem , vol.70 , pp. 1761-1767
    • Wülfert, F.1    Kok, W.T.2    Smilde, A.K.3
  • 10
    • 24344466255 scopus 로고    scopus 로고
    • Temperature robust multivaraite calibration: An overview of methods for dealing with temperature influences on near infrared spectra
    • Hagerman JA, Westerhuis JA, Smilde AK. Temperature robust multivaraite calibration: an overview of methods for dealing with temperature influences on near infrared spectra. J. Near Infrared Spectrosc. 2005; 13: 53-62.
    • (2005) J. Near Infrared Spectrosc , vol.13 , pp. 53-62
    • Hagerman, J.A.1    Westerhuis, J.A.2    Smilde, A.K.3
  • 12
    • 0030816163 scopus 로고    scopus 로고
    • Two data sets of near infrared spectra
    • Kalivas JH. Two data sets of near infrared spectra. Chemom. Intell. Lab. Syst. 1997; 37: 255-259.
    • (1997) Chemom. Intell. Lab. Syst , vol.37 , pp. 255-259
    • Kalivas, J.H.1
  • 14
    • 0034174358 scopus 로고    scopus 로고
    • Correction of temperature-induced spectral variation by continuous piecewise direct standardization
    • Wülfert F, Kok WT, de Noord OE, Smilde AK. Correction of temperature-induced spectral variation by continuous piecewise direct standardization. Anal. Chem. 2000; 72: 1639-1644.
    • (2000) Anal. Chem , vol.72 , pp. 1639-1644
    • Wülfert, F.1    Kok, W.T.2    de Noord, O.E.3    Smilde, A.K.4
  • 15
    • 0342732860 scopus 로고    scopus 로고
    • Linear techniques to correct for temperature-induced spectral variation in multivariate calibration
    • Wülfert F, Kok WT, de Noord OE, Smilde AK. Linear techniques to correct for temperature-induced spectral variation in multivariate calibration. Chemom. Intell. Lab. Syst. 2000; 51: 189-200.
    • (2000) Chemom. Intell. Lab. Syst , vol.51 , pp. 189-200
    • Wülfert, F.1    Kok, W.T.2    de Noord, O.E.3    Smilde, A.K.4
  • 16
    • 0036086103 scopus 로고    scopus 로고
    • Multivariate calibration stability: A comparison of methods
    • Marx BD, Eilers PHC. Multivariate calibration stability: a comparison of methods. J. Chemom. 2002; 16: 129-140.
    • (2002) J. Chemom , vol.16 , pp. 129-140
    • Marx, B.D.1    Eilers, P.H.C.2
  • 17
    • 0037613485 scopus 로고    scopus 로고
    • Multivariate calibration with temperature interaction using two-dimensional penalized signal regression
    • Eilers PHC, Marx BD. Multivariate calibration with temperature interaction using two-dimensional penalized signal regression. Chemom. Intell. Lab. Syst. 2003; 66: 159-174.
    • (2003) Chemom. Intell. Lab. Syst , vol.66 , pp. 159-174
    • Eilers, P.H.C.1    Marx, B.D.2
  • 18
    • 3042551400 scopus 로고    scopus 로고
    • Multivariate calibration with least-squares support vector machines
    • Thissen U, Üstün B, Melssen WJ, Buydens LMC. Multivariate calibration with least-squares support vector machines. Anal. Chem. 2004; 76: 3099-3105.
    • (2004) Anal. Chem , vol.76 , pp. 3099-3105
    • Thissen, U.1    Üstün, B.2    Melssen, W.J.3    Buydens, L.M.C.4
  • 19
    • 1042298892 scopus 로고    scopus 로고
    • Pareto calibration with built-in wavelength selection
    • Kalivas JH. Pareto calibration with built-in wavelength selection. Anal. Chim. Acta 2004; 505: 9-14.
    • (2004) Anal. Chim. Acta , vol.505 , pp. 9-14
    • Kalivas, J.H.1
  • 20
    • 14944349678 scopus 로고    scopus 로고
    • Ridge regression optimization using a harmonious approach
    • Forrester JB, Kalivas JH. Ridge regression optimization using a harmonious approach. J. Chemom. 2004; 18: 372-384.
    • (2004) J. Chemom , vol.18 , pp. 372-384
    • Forrester, J.B.1    Kalivas, J.H.2
  • 21
    • 13344267706 scopus 로고
    • Regularization tools: A Matlab package for analysis and solution of discrete ill-posed problems
    • Hansen PC. Regularization tools: a Matlab package for analysis and solution of discrete ill-posed problems. Num. Algorithms 1994; 6: 1-35.
    • (1994) Num. Algorithms , vol.6 , pp. 1-35
    • Hansen, P.C.1
  • 22
    • 85153983966 scopus 로고    scopus 로고
    • Online] Available:, April 28
    • Hansen PC. [Online] Available: http://www.netlib.org/numeralgo/na4/ [April 28, 2005].
    • (2005)
    • Hansen, P.C.1
  • 23
    • 0000303746 scopus 로고
    • Regularization. GSVD and truncated GSVD
    • Hansen PC. Regularization. GSVD and truncated GSVD. BIT 1989; 29: 491-504.
    • (1989) BIT , vol.29 , pp. 491-504
    • Hansen, P.C.1
  • 24
    • 0000752748 scopus 로고
    • The modulated truncated SVD method for regularization in general form
    • Hansen PC, Seki T, Shibahashi H. The modulated truncated SVD method for regularization in general form. SIAM J. Sci. Stat. Comput. 1992; 13: 1142-1150.
    • (1992) SIAM J. Sci. Stat. Comput , vol.13 , pp. 1142-1150
    • Hansen, P.C.1    Seki, T.2    Shibahashi, H.3
  • 25
    • 0034643056 scopus 로고    scopus 로고
    • Correction of background drifts in otpical spectrs by means of "pseudo principle components
    • Vogt F, Rebstock K, Tacke M. Correction of background drifts in otpical spectrs by means of "pseudo principle components". Chemom. Intell. Lab. Syst. 2000; 50: 175-178.
    • (2000) Chemom. Intell. Lab. Syst , vol.50 , pp. 175-178
    • Vogt, F.1    Rebstock, K.2    Tacke, M.3
  • 26
    • 3142520032 scopus 로고    scopus 로고
    • Chemometric correction of drift effects in optical spectra
    • Vogt F, Steiner H, Booksh K, Mizaikoff B. Chemometric correction of drift effects in optical spectra. Appl. Spectrosc. 2004; 58: 683-692.
    • (2004) Appl. Spectrosc , vol.58 , pp. 683-692
    • Vogt, F.1    Steiner, H.2    Booksh, K.3    Mizaikoff, B.4
  • 27
    • 0035701969 scopus 로고    scopus 로고
    • Pareto optimal multivariate calibration for spectroscopic data
    • Green RL, Kalivas JH. Pareto optimal multivariate calibration for spectroscopic data. Appl. Spectrosc. 2001; 55: 1645-1652.
    • (2001) Appl. Spectrosc , vol.55 , pp. 1645-1652
    • Green, R.L.1    Kalivas, J.H.2
  • 28
    • 3543017338 scopus 로고    scopus 로고
    • Discordance between net analyte signal theory and practical multivariate calibration
    • Brown CD. Discordance between net analyte signal theory and practical multivariate calibration. Anal. Chem. 2004; 76: 4364-4373.
    • (2004) Anal. Chem , vol.76 , pp. 4364-4373
    • Brown, C.D.1
  • 29
    • 0345211838 scopus 로고
    • Improving repeatability of NIR calibrations across instruments
    • eds, Agricultural Research Centre Publishing: Gemblous, Belgium
    • Westerhaus M. Improving repeatability of NIR calibrations across instruments. In Proc. Third Intl. Conf. Near Infrared Spectrosc., Biston R, Bartiaux-Thill N (eds). Agricultural Research Centre Publishing: Gemblous, Belgium, 1990, 671-674.
    • (1990) Proc. Third Intl. Conf. Near Infrared Spectrosc , pp. 671-674
    • Westerhaus, M.1
  • 30
    • 0034385877 scopus 로고    scopus 로고
    • Networking of near infrared spectroscopy instruments for rapeseed analysis: A comparison of different procedures
    • Tillman P, Reinhardt T, Paul C. Networking of near infrared spectroscopy instruments for rapeseed analysis: a comparison of different procedures. J. Near Infrared Spectrosc. 2000; 8: 103-107.
    • (2000) J. Near Infrared Spectrosc , vol.8 , pp. 103-107
    • Tillman, P.1    Reinhardt, T.2    Paul, C.3
  • 31
    • 0000079353 scopus 로고    scopus 로고
    • Propagation of measurement error for the validation of predictions obtained by principal components regression and partial least squares
    • Faber K, Kowalski BR. Propagation of measurement error for the validation of predictions obtained by principal components regression and partial least squares. J. Chemom. 1997; 11: 181-238.
    • (1997) J. Chemom , vol.11 , pp. 181-238
    • Faber, K.1    Kowalski, B.R.2
  • 32
    • 9444271627 scopus 로고    scopus 로고
    • Effective rank for multivariate calibration methods
    • Seipel HA, Kalivas JH. Effective rank for multivariate calibration methods. J. Chemom. 2004; 18: 306-311.
    • (2004) J. Chemom , vol.18 , pp. 306-311
    • Seipel, H.A.1    Kalivas, J.H.2
  • 33
    • 0032351389 scopus 로고    scopus 로고
    • On measuring and correcting the effects of data mining and model selection
    • Ye J. On measuring and correcting the effects of data mining and model selection. J. Am. Statist. Assoc. 1998; 93: 120-131.
    • (1998) J. Am. Statist. Assoc , vol.93 , pp. 120-131
    • Ye, J.1
  • 34
    • 21144474350 scopus 로고
    • Linear model selection by cross-validation
    • Shao J. Linear model selection by cross-validation. J. Am. Statist. Assoc. 1993; 88: 486-494.
    • (1993) J. Am. Statist. Assoc , vol.88 , pp. 486-494
    • Shao, J.1
  • 35
    • 0035701969 scopus 로고    scopus 로고
    • Pareto optimal multivariate calibration for spectroscopic data
    • Kalivas JH, Green RL. Pareto optimal multivariate calibration for spectroscopic data. Appl. Spectrosc. 2001; 55: 1645-1652.
    • (2001) Appl. Spectrosc , vol.55 , pp. 1645-1652
    • Kalivas, J.H.1    Green, R.L.2
  • 36
    • 0037366902 scopus 로고    scopus 로고
    • Assessment of Pareto calibration, stability, and wavelength selection
    • Anderson KJ, Kalivas JH. Assessment of Pareto calibration, stability, and wavelength selection. Appl. Spectrosc. 2003; 57: 309-316.
    • (2003) Appl. Spectrosc , vol.57 , pp. 309-316
    • Anderson, K.J.1    Kalivas, J.H.2
  • 37
    • 0242669997 scopus 로고    scopus 로고
    • A perfect smoother
    • Eliers PHC. A perfect smoother. Anal. Chem. 2003; 75: 3631-3636.
    • (2003) Anal. Chem , vol.75 , pp. 3631-3636
    • Eliers, P.H.C.1
  • 38
    • 18844419243 scopus 로고    scopus 로고
    • A general computational method for converting normal spectra into derivative spectra
    • Yeow YL, Leon YK. A general computational method for converting normal spectra into derivative spectra. Appl. Spectrosc. 2005; 59: 584-592.
    • (2005) Appl. Spectrosc , vol.59 , pp. 584-592
    • Yeow, Y.L.1    Leon, Y.K.2
  • 39
    • 85153983727 scopus 로고    scopus 로고
    • Tikhonov regularization for wavelength selection
    • Submitted
    • Stout F, Héberger K, Kalivas JH. Tikhonov regularization for wavelength selection. Submitted.
    • Stout, F.1    Héberger, K.2    Kalivas, J.H.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.