Title :

Weighted multivariate curve resolution-Alternating least squares based on sample relevance

Author(s) :

Ahmad, M. [Auteur]
Laboratoire Avancé de Spectroscopie pour les Intéractions la Réactivité et l'Environnement - UMR 8516 [LASIRE]
Vitale, Raffaele [Auteur]
Laboratoire Avancé de Spectroscopie pour les Intéractions la Réactivité et l'Environnement (LASIRE) - UMR 8516
Cocchi, M. [Auteur]
Ruckebusch, Cyril [Auteur]
Laboratoire Avancé de Spectroscopie pour les Intéractions la Réactivité et l'Environnement (LASIRE) - UMR 8516

Journal title :

Journal of Chemometrics

Abbreviated title :

J. Chemometr.

Volume number :

-

Pages :

-

Publication date :

2023-04-29

ISSN :

0886-9383

English keyword(s) :

weighted least squares
spectral pixels
sample selection
multivariate curve resolution-alternating least squares (MCR-ALS)
essential information

HAL domain(s) :

Chimie/Chimie théorique et/ou physique

English abstract : [en]

Alternating least squares within the multivariate curve resolution frameworkhas seen a lot of practical applications and shows their distinction with theirrelatively simple and flexible implementation. However, the limitations ...
Show more >Alternating least squares within the multivariate curve resolution frameworkhas seen a lot of practical applications and shows their distinction with theirrelatively simple and flexible implementation. However, the limitations of leastsquares should be carefully considered when deviating from the standardassumed data structure. Within this work, we highlight the effects of noise inthe presence of minor components, and we propose a novel weighting schemewithin the weighted multivariate curve-resolution-alternating least squaresframework to resolve it. Two simulated and one Raman imaging case areinvestigated by comparing the novel methodology against standard multivari-ate curve resolution-alternating least squares and essential spectral pixel selec-tion. A trade-off is observed between current methods, whereas the novelweighting scheme demonstrates a balance where the benefits of the previoustwo methods are retained.Show less >

Language :

Anglais

Peer reviewed article :

Oui

Audience :

Internationale

Popular science :

Non

Administrative institution(s) :

Université de Lille
CNRS

Collections :

• Laboratoire Avancé de Spectroscopie pour les Intéractions la Réactivité et l'Environnement (LASIRE) - UMR 8516

Submission date :

2024-02-28T23:50:07Z
2024-03-11T15:40:02Z