- J.W.B. Braga and R.J. Poppi
Comparison of variance sources and confidence limits in two PLSR models for determination of the polymorphic purity of carbamazepine
Chemometrics and Intelligent Laboratory Systems, 80 (2006) 50-56
Abstract; request
- V. Centner, D.-L. Massart, O.E. De Noord, S. De Jong, B.M. Vandeginste and C. Sterna
Elimination of uninformative variables for multivariate calibration
Analytical Chemistry, 68 (1996) 3851-3858
Abstract
- M.C. Denham
Prediction intervals in partial least squares
Journal of Chemometrics, 11 (1997) 39-52
Abstract
- M.C. Denham
Choosing the number of factors in partial least squares regression: estimating and minimizing the mean squared error of prediction
Journal of Chemometrics, 14 (2000) 351-361
Abstract
- R. DiFoggio
Guidelines for applying chemometrics to spectra: feasibility and error propagation
Applied Spectroscopy, 54 (2000) 94A-113A
Abstract; info
- N.M. Faber and B.R. Kowalski
Prediction error in least squares regression: further critique on the deviation used in The Unscrambler
Chemometrics and Intelligent Laboratory Systems, 34 (1996) 283-292
Abstract; request
- N.M. Faber and B.R. Kowalski
Propagation of measurement errors for the validation of predictions obtained by principal component regression and partial least squares
Journal of Chemometrics, 11 (1997) 181-238
Abstract; request
- N.M. Faber, D.L. Duewer, S.J. Choquette, T.L. Green and S.N. Chesler
Characterizing the uncertainty in near-infrared spectroscopic prediction of mixed-oxygenate concentrations in gasoline: sample-specific prediction intervals
Analytical Chemistry, 70 (1998) 2972-2982; 70 (1998) 4877
Abstract; request
- N.M. Faber
A closer look at the bias-variance tradeoff in multivariate calibration
Journal of Chemometrics, 13 (1999) 185-192
Abstract; request
- N.M. Faber
Improved computation of the standard error in the regression coefficient estimates of a multivariate calibration model
Analytical Chemistry, 72 (2000) 4675-4676
Abstract; request
- N.M. Faber
Comparison of two recently proposed expressions for partial least squares regression prediction error
Chemometrics and Intelligent Laboratory Systems, 52 (2000) 123-134
Abstract; request
- N.M. Faber
Uncertainty estimation for multivariate regression coefficients
Chemometrics and Intelligent Laboratory Systems, 64 (2002) 169-179
Abstract; request
- N.M. Faber, X.-H. Song and P.K. Hopke
Sample-specific standard error of prediction for partial least squares regression
Trends in Analytical Chemistry, 22 (2003) 330-334
Abstract; request.
- J.A. Fernández Pierna, L. Jin, F. Wahl, N.M. Faber and D.L. Massart
Estimation of partial least squares regression (PLSR) prediction uncertainty when the reference values carry a sizeable measurement error
Chemometrics and Intelligent Laboratory Systems, 65 (2003) 281-291
Abstract; request
- N.B. Gallagher, B.M. Wise and D.M. Sheen
Error analysis for estimation of trace vapor concentration-pathlength in stack plumes
Applied Spectroscopy, 57 (2003) 614-621.
Abstract; request
- M.L. Griffiths, R.P. Barbagallo and J.T. Keer
Multiple and simultaneous fluorophore detection using fluorescence spectrometry and partial least-squares regression with sample-specific confidence intervals
Analytical Chemistry, 78 (2006) 513-523
Abstract; request
- M.L. Griffiths and S.L.R. Ellison
A simple numerical method of estimating the contribution of reference value uncertainties to sample-specific uncertainties in multivariate regression
Chemometrics and Intelligent Laboratory Systems, 83 (2006) 133-138
Abstract; request
- J.T. Hwang and A. Ding
Prediction intervals for artificial neural networks
Journal of the American Statistical Association, 92 (1997) 748-757
Abstract
- H. Martens and M. Martens
Modified Jack-knife estimation of parameter uncertainty in bilinear modelling by partial least squares regression (PLSR)
Food Quality and Preference, 11 (2000) 5-16
Abstract
- H. Martens, M. Høy, F. Westad, D. Folkenberg and M. Martens
Analysis of designed experiments by stabilised PLS Regression and jack-knifing
Chemometrics and Intelligent Laboratory Systems, 58 (2001) 151-170
Abstract
- B. Nadler and R.R. Coifman
Partial least squares, Beer's law and the net analyte signal: statistical modeling and analysis
Journal of Chemometrics, 19 (2005) 45-54
Abstract; download
- B. Nadler and R.R. Coifman
The prediction error in CLS and PLS: the importance of feature selection prior to multivariate calibration
Journal of Chemometrics, 19 (2005) 107-118
Abstract; download
- A.C. Olivieri
A simple approach to uncertainty propagation in preprocessed multivariate calibration
Journal of Chemometrics, 16 (2002) 207-217
Abstract; request
- A. Phatak, P.M. Reilly and A. Penlidis
An approach to interval estimation in partial least squares regression
Analytica Chimica Acta, 277 (1993) 495-501
Abstract; request
- A.L. Pomerantsev and O.Ye. Rodionova
Prediction of antioxidants activity using DSC measurements. A feasibility study
Aging of Polymers, Polymer Blends and Polymer Composites, 2, Nova science Publishers, NY, USA, 2002, pp. 19-29 (ISBN 1-59033-256-3)
Request
- S. Serneels, P. Lemberge and P. J. Van Espen
Sample specific prediction intervals in SIMPLS
In: M. Vilares, M. Tenenhaus, P. Coelho, V. Esposito Vinzi and A. Morineau (eds.), PLS and related methods, pp. 219-233. DECISIA, Levallois Perret, France (2003)
Abstract; download
- S. Serneels, P. Lemberge and P.J. Van Espen
Calculation of PLS prediction intervals using efficient recursion relations for the Jacobian matrix
Journal of Chemometrics, 18 (2004) 76-80
Abstract; request
- S. Serneels, C. Croux and P.J. Van Espen
Influence properties of partial least squares regression
Chemometrics and Intelligent Laboratory Systems, 71 (2004) 13-20
Abstract; request
- P. Stoica and T. Söderström
Partial least squares: a first-order analysis
Scandinavian Journal of Statistics, 25 (1998) 17-24
Abstract; request
- H. van der Voet
Pseudo-degrees of freedom for complex predictive models: the example of partial least squares
Journal of Chemometrics, 13 (1999) 195-208
Abstract; request
- R. Wehrens and W.E. Van der Linden
Bootstrapping principal component regression models
Journal of Chemometrics, 11 (1997) 157-171
Abstract; download from the home page of Dr. Ron Wehrens (» People » Dr. Ron Wehrens » Publication list) as paper 13 ( =327 kB)
- F. Westad and H. Martens
Variable selection in near infrared spectroscopy based on significance testing in partial least squares regression
Journal of Near Infrared Spectroscopy, 8 (2000) 117-124
Abstract; request
- R. Wolthuis, G.C.H. Tjiang, G.J. Puppels, T.C. Bakker Schut
Estimating the influence of experimental parameters on the prediction error of PLS calibration models based on Raman spectra
Journal of Raman Spectroscopy, 37 (2006) 447-466
Abstract; request
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