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Title Generalized methods for calibration
Author Rasmussen, Michael
Supervisor Madsen, Henrik (Department of Informatics and Mathematical Modeling, Technical University of Denmark, DTU, DK-2800 Kgs. Lyngby, Denmark)
Institution Technical University of Denmark, DTU, DK-2800 Kgs. Lyngby, Denmark
Thesis level Master's thesis
Year 2001
Abstract In chemometrics traditional calibration in case of spectral measurements express a quantity of interest (e.g. a concentration) as a linear combination of the sp ectral measurements at a number of wavelengths. Often the spectral measurements are performed at a large number of wavelengths and in this case the number of coefficients in the linear combination is magnitudes larger than the number of observations. Traditional approaches to handling this problem includes Principal Components Regression, (PCR), Partial Least Squares regression, (PLS), Ridge Regre ssion, (RR) and variable selection. They are all presented with theory and appli cation. Least Absolute Shrinkage and Selection Operator, (LASSO), which has recently been improved to handle sigular design matrices, is also presented here. Furthermore a new approach that combines these methods with B-spline basis functions is presented.
Imprint Department of Informatics and Mathematical Modeling, Technical University of Denmark, DTU : DK-2800 Kgs. Lyngby, Denmark
Keywords Calibration; NIR spectroscopy; linear regression; cross-validation; singular val ue decomposition; principal components regression; partial least squares regression
Fulltext
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Admin Creation date: 2006-06-22    Update date: 2012-12-20    Source: dtu    ID: 57981    Original MXD