Bayesian wavelength selection in multicomponent analysis

Brown, Philip J. and Vannucci, Marina and Fearn, T. (1998) Bayesian wavelength selection in multicomponent analysis. Journal of Chemometrics, 12 (3). pp. 173-82. ISSN 0886-9383. (The full text of this publication is not available from this repository)

The full text of this publication is not available from this repository. (Contact us about this Publication)
Official URL
http://dx.doi.org/10.1002/(SICI)1099-128X(199805/0...

Abstract

Multicomponent analysis attempts to simultaneously predict the ingredients of a mixture. If near-infrared spectroscopy provides the predictor variables, then modern scanning instruments may offer absorbances at a very large number of wavelengths. Although it is perfectly possible to use whole spectrum methods (e.g. PLS, ridge and principal component regression), for a number of reasons it is often desirable to select a small number of wavelengths from which to construct the prediction equation relating absorbances to composition. This paper considers wavelength selection with a view to using the chosen wavelengths to simultaneously predict the compositional ingredients and is therefore an example of multivariate variable selection. It adopts a binary exclusion/inclusion latent variable formulation of selection and uses a Bayesian approach. Problems of search of the vast number of possible selected models are overcome by a Markov chain Monte Carlo sampling technique.

Item Type: Article
Uncontrolled keywords: multivariate regression; Bayesian wavelength selection; Markov chain Monte Carlo (MCMC); Metropolis algorithm; NIR spectroscopy; multicomponent analysis; selection bias; model averaging
Subjects: Q Science > QA Mathematics (inc Computing science) > QA276 Mathematical statistics
Q Science > QD Chemistry
Q Science > QA Mathematics (inc Computing science)
Divisions: Faculties > Science Technology and Medical Studies > School of Mathematics Statistics and Actuarial Science
Depositing User: I. Ghose
Date Deposited: 05 Apr 2009 14:17
Last Modified: 13 May 2014 11:16
Resource URI: http://kar.kent.ac.uk/id/eprint/17608 (The current URI for this page, for reference purposes)
  • Depositors only (login required):