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Volumn 27, Issue 1-2, 2013, Pages 34-41

Application of maximum likelihood multivariate curve resolution to noisy data sets

Author keywords

Error structure; Maximum likelihood principal component analysis; Multivariate curve resolution alternating least squares; Noisy data; Weighted alternating least squares

Indexed keywords

ABSORPTION SPECTROSCOPY; ERRORS; LEAST SQUARES APPROXIMATIONS; MAXIMUM LIKELIHOOD ESTIMATION; MULTIVARIANT ANALYSIS; UNCERTAINTY ANALYSIS;

EID: 84874212558     PISSN: 08869383     EISSN: 1099128X     Source Type: Journal    
DOI: 10.1002/cem.2489     Document Type: Article
Times cited : (33)

References (41)
  • 2
    • 0345276681 scopus 로고    scopus 로고
    • Chemometrics applied to unravel multicomponent processes and mixtures: revisiting latest trends in multivariate resolution
    • de Juan A, Tauler R. Chemometrics applied to unravel multicomponent processes and mixtures: revisiting latest trends in multivariate resolution. Anal. Chim. Acta 2003; 500(1-2): 195-210.
    • (2003) Anal. Chim. Acta , vol.500 , Issue.1-2 , pp. 195-210
    • de Juan, A.1    Tauler, R.2
  • 3
    • 84886363141 scopus 로고
    • Mixture analysis using factor analysis. II: self-modeling curve resolution
    • Hamilton JC, Gemperline PJ. Mixture analysis using factor analysis. II: self-modeling curve resolution. J. Chemom. 1990; 4(1): 1-13.
    • (1990) J. Chemom. , vol.4 , Issue.1 , pp. 1-13
    • Hamilton, J.C.1    Gemperline, P.J.2
  • 4
    • 0031517826 scopus 로고    scopus 로고
    • Weighted least squares fitting using ordinary least squares algorithms
    • Kiers H. Weighted least squares fitting using ordinary least squares algorithms. Psychometrika 1997; 62(2): 251-266.
    • (1997) Psychometrika , vol.62 , Issue.2 , pp. 251-266
    • Kiers, H.1
  • 5
    • 0011848529 scopus 로고
    • Weighted analysis of principal components: two approximations to statistical weights
    • Simeon V, Pavković D. Weighted analysis of principal components: two approximations to statistical weights. J. Chemom. 1992; 6(5): 257-266.
    • (1992) J. Chemom. , vol.6 , Issue.5 , pp. 257-266
    • Simeon, V.1    Pavković, D.2
  • 6
    • 0028561099 scopus 로고
    • Positive matrix factorization: a non-negative factor model with optimal utilization of error estimates of data values
    • Paatero P, Tapper U. Positive matrix factorization: a non-negative factor model with optimal utilization of error estimates of data values. Environmetrics 1994; 5(2): 111-126.
    • (1994) Environmetrics , vol.5 , Issue.2 , pp. 111-126
    • Paatero, P.1    Tapper, U.2
  • 8
    • 0000745168 scopus 로고    scopus 로고
    • Maximum likelihood multivariate calibration
    • Wentzell PD, Andrews DT, Kowalski BR. Maximum likelihood multivariate calibration. Anal. Chem. 1997; 69(13): 2299-2311.
    • (1997) Anal. Chem. , vol.69 , Issue.13 , pp. 2299-2311
    • Wentzell, P.D.1    Andrews, D.T.2    Kowalski, B.R.3
  • 9
    • 0038556902 scopus 로고    scopus 로고
    • Maximum likelihood parallel factor analysis (MLPARAFAC)
    • Vega-Montoto L, Wentzell PD. Maximum likelihood parallel factor analysis (MLPARAFAC). J. Chemom. 2003; 17(4): 237-253.
    • (2003) J. Chemom. , vol.17 , Issue.4 , pp. 237-253
    • Vega-Montoto, L.1    Wentzell, P.D.2
  • 11
    • 67651089690 scopus 로고    scopus 로고
    • Comparison of the results obtained by four receptor modelling methods in aerosol source apportionment studies
    • Tauler R, Viana M, Querol X, Alastuey A, Flight RM, Wentzell PD, Hopke PK. Comparison of the results obtained by four receptor modelling methods in aerosol source apportionment studies. Atmos. Environ. 2009; 43(26): 3989-3997.
    • (2009) Atmos. Environ. , vol.43 , Issue.26 , pp. 3989-3997
    • Tauler, R.1    Viana, M.2    Querol, X.3    Alastuey, A.4    Flight, R.M.5    Wentzell, P.D.6    Hopke, P.K.7
  • 12
    • 78650174726 scopus 로고    scopus 로고
    • Application of multivariate curve resolution to the analysis of yeast genome-wide screens
    • Jaumot J, Piña B, Tauler R. Application of multivariate curve resolution to the analysis of yeast genome-wide screens. Chemom. Intell. Lab. Syst. 2010; 104(1): 53-64.
    • (2010) Chemom. Intell. Lab. Syst. , vol.104 , Issue.1 , pp. 53-64
    • Jaumot, J.1    Piña, B.2    Tauler, R.3
  • 13
    • 82355163551 scopus 로고    scopus 로고
    • A comparison of positive matrix factorization and the weighted multivariate curve resolution method. Application to environmental data
    • Stanimirova I, Tauler R, Walczak B. A comparison of positive matrix factorization and the weighted multivariate curve resolution method. Application to environmental data. Environ. Sci. Technol. 2011; 45(23): 10102-10110.
    • (2011) Environ. Sci. Technol. , vol.45 , Issue.23 , pp. 10102-10110
    • Stanimirova, I.1    Tauler, R.2    Walczak, B.3
  • 14
    • 77249113277 scopus 로고    scopus 로고
    • Application of the correlation constrained multivariate curve resolution alternating least-squares method for analyte quantitation in the presence of unexpected interferences using first-order instrumental data
    • Goicoechea HC, Olivieri AC, Tauler R. Application of the correlation constrained multivariate curve resolution alternating least-squares method for analyte quantitation in the presence of unexpected interferences using first-order instrumental data. Analyst 2010; 135(3): 636-642.
    • (2010) Analyst , vol.135 , Issue.3 , pp. 636-642
    • Goicoechea, H.C.1    Olivieri, A.C.2    Tauler, R.3
  • 15
    • 83655164810 scopus 로고    scopus 로고
    • Resolution and quantification of complex mixtures of polycyclic aromatic hydrocarbons in heavy fuel oil sample by means of GC × GC-TOFMS combined to multivariate curve resolution
    • Parastar H, Radović JR, Jalali-Heravi M, Diez S, Bayona JM, Tauler R. Resolution and quantification of complex mixtures of polycyclic aromatic hydrocarbons in heavy fuel oil sample by means of GC × GC-TOFMS combined to multivariate curve resolution. Anal. Chem. 2011; 83(24): 9289-9297.
    • (2011) Anal. Chem. , vol.83 , Issue.24 , pp. 9289-9297
    • Parastar, H.1    Radović, J.R.2    Jalali-Heravi, M.3    Diez, S.4    Bayona, J.M.5    Tauler, R.6
  • 16
    • 67650466018 scopus 로고    scopus 로고
    • Quality assessment of the multivariate curve resolution alternating least squares method for the investigation of environmental pollution patterns in surface water
    • Terrado M, Barceló D, Tauler R. Quality assessment of the multivariate curve resolution alternating least squares method for the investigation of environmental pollution patterns in surface water. Environ. Sci. Technol. 2009; 43(14): 5321-5326.
    • (2009) Environ. Sci. Technol. , vol.43 , Issue.14 , pp. 5321-5326
    • Terrado, M.1    Barceló, D.2    Tauler, R.3
  • 18
    • 84865278262 scopus 로고    scopus 로고
    • Maximum likelihood principal component analysis as initial projection step in multivariate curve resolution analysis of noisy data
    • Dadashi M, Abdollahi H, Tauler R. Maximum likelihood principal component analysis as initial projection step in multivariate curve resolution analysis of noisy data. Chemom. Intell. Lab. Syst. 2012; 118(0): 33-40.
    • (2012) Chemom. Intell. Lab. Syst. , vol.118 , Issue.0 , pp. 33-40
    • Dadashi, M.1    Abdollahi, H.2    Tauler, R.3
  • 19
    • 67349197333 scopus 로고    scopus 로고
    • Chemometrics description of measurement error structure: study of an ultrafast absorption spectroscopy experiment
    • Blanchet L, Réhault J, Ruckebusch C, Huvenne JP, Tauler R, de Juan A. Chemometrics description of measurement error structure: study of an ultrafast absorption spectroscopy experiment. Anal. Chim. Acta 2009; 642(1-2): 19-26.
    • (2009) Anal. Chim. Acta , vol.642 , Issue.1-2 , pp. 19-26
    • Blanchet, L.1    Réhault, J.2    Ruckebusch, C.3    Huvenne, J.P.4    Tauler, R.5    de Juan, A.6
  • 20
    • 33751217711 scopus 로고    scopus 로고
    • Identification of PM sources by principal component analysis (PCA) coupled with wind direction data
    • Viana M, Querol X, Alastuey A, Gil JI, Menéndez M. Identification of PM sources by principal component analysis (PCA) coupled with wind direction data. Chemosphere 2006; 65(11): 2411-2418.
    • (2006) Chemosphere , vol.65 , Issue.11 , pp. 2411-2418
    • Viana, M.1    Querol, X.2    Alastuey, A.3    Gil, J.I.4    Menéndez, M.5
  • 23
    • 18244376808 scopus 로고    scopus 로고
    • Homeostatic adjustment and metabolic remodeling in glucose-limited yeast cultures
    • Brauer MJ, Saldanha AJ, Dolinski K, Botstein D. Homeostatic adjustment and metabolic remodeling in glucose-limited yeast cultures. Mol. Biol. Cell 2005; 16(5): 2503-2517.
    • (2005) Mol. Biol. Cell , vol.16 , Issue.5 , pp. 2503-2517
    • Brauer, M.J.1    Saldanha, A.J.2    Dolinski, K.3    Botstein, D.4
  • 24
    • 85153977892 scopus 로고    scopus 로고
    • web
    • web, http://smd.stanford.edu/cgi-bin/tools/display/listMicroArrayData.pl?tabl eName=publication.
  • 26
    • 38849174858 scopus 로고    scopus 로고
    • The benzophenone S1(n,π*) → T1(n,π*) states intersystem crossing reinvestigated by ultrafast absorption spectroscopy and multivariate curve resolution
    • Aloise S, Ruckebusch C, Blanchet L, Rehault J, Buntinx G, Huvenne J-P. The benzophenone S1(n, π*) → T1(n, π*) states intersystem crossing reinvestigated by ultrafast absorption spectroscopy and multivariate curve resolution. J. Phys. Chem. A 2007; 112(2): 224-231.
    • (2007) J. Phys. Chem. A , vol.112 , Issue.2 , pp. 224-231
    • Aloise, S.1    Ruckebusch, C.2    Blanchet, L.3    Rehault, J.4    Buntinx, G.5    Huvenne, J.-P.6
  • 28
    • 0030770001 scopus 로고    scopus 로고
    • Applications of maximum likelihood principal component analysis: incomplete data sets and calibration transfer
    • Andrews DT, Wentzell PD. Applications of maximum likelihood principal component analysis: incomplete data sets and calibration transfer. Anal. Chim. Acta 1997; 350(3): 341-352.
    • (1997) Anal. Chim. Acta , vol.350 , Issue.3 , pp. 341-352
    • Andrews, D.T.1    Wentzell, P.D.2
  • 29
    • 0028807247 scopus 로고
    • Multivariate curve resolution applied to second order data
    • Tauler R. Multivariate curve resolution applied to second order data. Chemom. Intell. Lab. Syst. 1995; 30(1): 133-146.
    • (1995) Chemom. Intell. Lab. Syst. , vol.30 , Issue.1 , pp. 133-146
    • Tauler, R.1
  • 30
    • 84984342002 scopus 로고
    • Selectivity, local rank, three-way data analysis and ambiguity in multivariate curve resolution
    • Tauler R, Smilde A, Kowalski B. Selectivity, local rank, three-way data analysis and ambiguity in multivariate curve resolution. J. Chemom. 1995; 9(1): 31-58.
    • (1995) J. Chemom. , vol.9 , Issue.1 , pp. 31-58
    • Tauler, R.1    Smilde, A.2    Kowalski, B.3
  • 31
    • 14844298640 scopus 로고    scopus 로고
    • A graphical user-friendly interface for MCR-ALS: a new tool for multivariate curve resolution in MATLAB
    • Jaumot J, Gargallo R, de Juan A, Tauler R. A graphical user-friendly interface for MCR-ALS: a new tool for multivariate curve resolution in MATLAB. Chemom. Intell. Lab. Syst. 2005; 76(1): 101-110.
    • (2005) Chemom. Intell. Lab. Syst. , vol.76 , Issue.1 , pp. 101-110
    • Jaumot, J.1    Gargallo, R.2    de Juan, A.3    Tauler, R.4
  • 32
    • 84882505910 scopus 로고    scopus 로고
    • 2.25 - Other topics in soft-modeling: maximum likelihood-based soft-modeling methods
    • Brown SD, Tauler R, Walczak B (Editors-in-Chief). Elsevier: Oxford
    • Wentzell PD. 2.25 - Other topics in soft-modeling: maximum likelihood-based soft-modeling methods. In Comprehensive Chemometrics, Brown SD, Tauler R, Walczak B (Editors-in-Chief). Elsevier: Oxford, 2009; 507-558.
    • (2009) Comprehensive Chemometrics , pp. 507-558
    • Wentzell, P.D.1
  • 33
    • 0033580062 scopus 로고    scopus 로고
    • Maximum likelihood principal component analysis with correlated measurement errors: theoretical and practical considerations
    • Wentzell PD, Lohnes MT. Maximum likelihood principal component analysis with correlated measurement errors: theoretical and practical considerations. Chemom. Intell. Lab. Syst. 1999; 45(1-2): 65-85.
    • (1999) Chemom. Intell. Lab. Syst. , vol.45 , Issue.1-2 , pp. 65-85
    • Wentzell, P.D.1    Lohnes, M.T.2
  • 34
    • 0030845462 scopus 로고    scopus 로고
    • Assessment of new constraints applied to the alternating least squares method
    • de Juan A, Vander Heyden Y, Tauler R, Massart DL. Assessment of new constraints applied to the alternating least squares method. Anal. Chim. Acta 1997; 346(3): 307-318.
    • (1997) Anal. Chim. Acta , vol.346 , Issue.3 , pp. 307-318
    • de Juan, A.1    Vander Heyden, Y.2    Tauler, R.3    Massart, D.L.4
  • 35
    • 0642334046 scopus 로고    scopus 로고
    • A fast non-negativity-constrained least squares algorithm
    • Bro R, De Jong S. A fast non-negativity-constrained least squares algorithm. J. Chemom. 1997; 11(5): 393-401.
    • (1997) J. Chemom. , vol.11 , Issue.5 , pp. 393-401
    • Bro, R.1    De Jong, S.2
  • 36
    • 34250840003 scopus 로고    scopus 로고
    • Application of non-linear optimization methods to the estimation of multivariate curve resolution solutions and of their feasible band boundaries in the investigation of two chemical and environmental simulated data sets
    • Tauler R. Application of non-linear optimization methods to the estimation of multivariate curve resolution solutions and of their feasible band boundaries in the investigation of two chemical and environmental simulated data sets. Anal. Chim. Acta 2007; 595(1-2): 289-298.
    • (2007) Anal. Chim. Acta , vol.595 , Issue.1-2 , pp. 289-298
    • Tauler, R.1
  • 38
    • 84966204312 scopus 로고
    • Numerical methods for computing angles between linear subspaces
    • Björck Å, Golub GH. Numerical methods for computing angles between linear subspaces. Math. Comput. 1973; 27(123): 579-594.
    • (1973) Math. Comput. , vol.27 , Issue.123 , pp. 579-594
    • Björck, A.1    Golub, G.H.2
  • 39
    • 0001312940 scopus 로고
    • On angles between subspaces of a finite dimensional inner product space Matrix Pencils
    • Kågström B, Ruhe A (eds.). Springer: Berlin/Heidelberg
    • Wedin P. On angles between subspaces of a finite dimensional inner product space Matrix Pencils. In Lecture Notes in Mathematics, Volume 973, Kågström B, Ruhe A (eds.). Springer: Berlin/Heidelberg, 1983; 263-285.
    • (1983) Lecture Notes in Mathematics , vol.973 , pp. 263-285
    • Wedin, P.1
  • 40
    • 4243948752 scopus 로고
    • Interactive self-modeling mixture analysis
    • Windig W, Guilment J. Interactive self-modeling mixture analysis. Anal. Chem. 1991; 63(14): 1425-1432.
    • (1991) Anal. Chem. , vol.63 , Issue.14 , pp. 1425-1432
    • Windig, W.1    Guilment, J.2
  • 41
    • 36649002868 scopus 로고    scopus 로고
    • Bootstrap method for the estimation of measurement uncertainty in spotted dual-color DNA microarrays
    • Karakach T, Flight R, Wentzell P. Bootstrap method for the estimation of measurement uncertainty in spotted dual-color DNA microarrays. Anal. Bioanal. Chem. 2007; 389(7-8): 2125-2141.
    • (2007) Anal. Bioanal. Chem. , vol.389 , Issue.7-8 , pp. 2125-2141
    • Karakach, T.1    Flight, R.2    Wentzell, P.3


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