inria-00232874, version 1
A data-driven functional projection approach for the selection of feature ranges in spectra with ICA or cluster analysis
Catherine Krier
1Fabrice Rossi
2Damien François
3Michel Verleysen 1
Chemometrics and Intelligent Laboratory Systems (2008)
Résumé : Prediction problems from spectra are largely encountered in chemometry. In addition to accurate predictions, it is often needed to extract information about which wavelengths in the spectra contribute in an effective way to the quality of the prediction. This implies to select wavelengths (or wavelength intervals), a problem associated to variable selection. In this paper, it is shown how this problem may be tackled in the specific case of smooth (for example infrared) spectra. The functional character of the spectra (their smoothness) is taken into account through a functional variable projection procedure. Contrarily to standard approaches, the projection is performed on a basis that is driven by the spectra themselves, in order to best fit their characteristics. The methodology is illustrated by two examples of functional projection, using Independent Component Analysis and functional variable clustering, respectively. The performances on two standard infrared spectra benchmarks are illustrated.
- 1 : Dispositifs Intégrés et Circuits Electroniques Machine Learning Group (DICE - MLG)
- Université Catholique de Louvain
- 2 : AxIS (INRIA Rocquencourt / INRIA Sophia Antipolis)
- INRIA
- 3 : Centre for Systems Engineering and Applied Mechanics (CSAM)
- Université Catholique de Louvain
- Domaine : Informatique/Réseau de neurones
Chimie/Chemo-informatique - Mots-clés : feature extraction – functional projection – Independent Component Analysis – clustering
- Commentaire : A paraitre.
- inria-00232874, version 1
- http://hal.inria.fr/inria-00232874
- oai:hal.inria.fr:inria-00232874
- Contributeur : Fabrice Rossi
- Soumis le : Samedi 2 Février 2008, 15:09:40
- Dernière modification le : Dimanche 3 Février 2008, 20:02:55






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