Titre :

Enhancing prediction stability and performance in LIBS analysis using custom CNN architectures.

Auteur(s) :

Dehbozorgi, P. [Auteur]
Duponchel, Ludovic [Auteur]
Laboratoire Avancé de Spectroscopie pour les Intéractions la Réactivité et l'Environnement (LASIRE) - UMR 8516
Motto-Ros, V. [Auteur]
Institut Lumière Matière [Villeurbanne] [ILM]
Bocklitz, T. W. [Auteur]
Friedrich-Schiller-Universität = Friedrich Schiller University Jena [Jena, Germany]

Titre de la revue :

Talanta

Nom court de la revue :

Talanta

Numéro :

284

Pagination :

127192

Date de publication :

2024-12-07

ISSN :

1873-3573

Discipline(s) HAL :

Chimie/Chimie théorique et/ou physique

Résumé en anglais : [en]

LIBS-based analysis has experienced an ever-increasing interest in recent years as a well-suited technique for chemical analysis tasks relying on elemental fingerprinting. This method stands out for its ability to offer ...
Lire la suite >LIBS-based analysis has experienced an ever-increasing interest in recent years as a well-suited technique for chemical analysis tasks relying on elemental fingerprinting. This method stands out for its ability to offer rapid, simultaneous multi-element analysis with the advantage of portability. In the context of this research, our aim is to bridge the gap between the analysis of simulated and real data to better account for variations in plasma temperature and electron density, which are typically not considered in LIBS analysis. To achieve this, we employ two distinct methodologies, PLS and CNNs, to construct predictive models for predicting the concentration of the 24 elements within each LIBS spectrum. The initial phase of our investigation concentrates on the training and testing of these models using simulated LIBS data, with results evaluated through RMSEP values. The IQR and median RMSEP values for all the elements demonstrate that CNNs consistently achieved values below 0.01, while PLS results ranged from 0.01 to 0.05, highlighting the superior stability and predictive accuracy of CNNs model. In the next phase, we applied the pre-trained models to analyze the real LIBS spectra, consistently identifying Aluminum (Al), Iron (Fe), and Silicon (Si) as having the highest predicted concentrations. The overall predicted values were approximately 0.5 for Al, 0.6 for Si, and 0.04 for Fe. In the third phase, deliberate adjustments are made to the training parameters and architecture of the proposed CNNs model to force the network to emphasize specific elements, prioritizing them over other components present in each real LIBS spectrum. The generation of the three modified versions of the initially proposed CNNs allows us to explore the impact of regularization, sample weighting, and a customized loss function on prediction outcomes. Some elements emerge during the prediction phase, with Calcium (Ca), Magnesium (Mg), Zinc (Zn), Titanium (Ti), and Gallium (Ga) exhibiting more pronounced patterns.Lire moins >

Langue :

Anglais

Audience :

Internationale

Vulgarisation :

Non

Établissement(s) :

Université de Lille
CNRS

Collections :

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

Équipe(s) de recherche :

Propriétés magnéto structurales des matériaux (PMSM)

Date de dépôt :

2024-12-09T22:01:48Z
2024-12-18T08:05:16Z