On the non-universality of distance metrics in laser-induced breakdown spectroscopy

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dc.contributor.authorVrábel, Jakubcs
dc.contributor.authorKépeš, Erikcs
dc.contributor.authorNedělník, Pavelcs
dc.contributor.authorZáděra, Antoníncs
dc.contributor.authorPořízka, Pavelcs
dc.contributor.authorKaiser, Jozefcs
dc.coverage.issue6cs
dc.coverage.volume40cs
dc.date.accessioned2025-07-17T07:59:41Z
dc.date.available2025-07-17T07:59:41Z
dc.date.issued2025-06-05cs
dc.description.abstractThe ability to measure similarity between high-dimensional spectra is crucial for numerous data processing tasks in spectroscopy. Many popular machine learning algorithms depend on, or directly implement, a form of similarity or distance metric. Despite its profound influence on algorithm performance and sensitivity to signal fluctuations, the selection of an appropriate metric remains often neglected within the spectroscopic community. This work aims to shed light on the metric selection process in Laser-Induced Breakdown Spectroscopy (LIBS) and study consequences for data analysis and analytical performance in selected applications. We studied six relevant distance metrics: Euclidean, Manhattan, cosine, Siamese, fractional, and mutual information. We assessed their response to changes in sample composition, additive noise, and signal intensity. Our results show specific vulnerabilities of commonly used metrics, such as the Euclidean metric's high sensitivity to additive noise and the cosine metric's sensitivity to spectral shifts. The Siamese metric stood out in the majority of studied cases and outperformed others in a direct comparison within the spectra classification task. This work provides basic guidelines for selecting metrics in various contexts. The methodology is general and can be directly extended to other spectroscopic techniques that possess comparable data properties.en
dc.formattextcs
dc.format.extent1552-1565cs
dc.format.mimetypeapplication/pdfcs
dc.identifier.citationJournal of Analytical Atomic Spectrometry. 2025, vol. 40, issue 6, p. 1552-1565.en
dc.identifier.doi10.1039/D4JA00377Bcs
dc.identifier.issn1364-5544cs
dc.identifier.orcid0000-0001-5629-3314cs
dc.identifier.orcid0000-0002-7086-2613cs
dc.identifier.orcid0000-0002-0555-370Xcs
dc.identifier.orcid0000-0002-8604-7365cs
dc.identifier.orcid0000-0002-7397-125Xcs
dc.identifier.other198032cs
dc.identifier.researcheridF-2136-2018cs
dc.identifier.researcheridG-9463-2014cs
dc.identifier.researcheridD-6800-2012cs
dc.identifier.scopus57190620988cs
dc.identifier.scopus55312098800cs
dc.identifier.scopus7402184758cs
dc.identifier.urihttps://hdl.handle.net/11012/255178
dc.language.isoencs
dc.publisherThe Royal Society of Chemistrycs
dc.relation.ispartofJournal of Analytical Atomic Spectrometrycs
dc.relation.urihttps://pubs.rsc.org/en/content/articlelanding/2025/ja/d4ja00377bcs
dc.rightsCreative Commons Attribution 3.0 Unportedcs
dc.rights.accessopenAccesscs
dc.rights.sherpahttp://www.sherpa.ac.uk/romeo/issn/1364-5544/cs
dc.rights.urihttp://creativecommons.org/licenses/by/3.0/cs
dc.subjectclassificationen
dc.subjectlibsen
dc.subjectrecognitionen
dc.subjectmarsen
dc.titleOn the non-universality of distance metrics in laser-induced breakdown spectroscopyen
dc.type.driverarticleen
dc.type.statusPeer-revieweden
dc.type.versionpublishedVersionen
sync.item.dbidVAV-198032en
sync.item.dbtypeVAVen
sync.item.insts2025.07.17 09:59:41en
sync.item.modts2025.07.17 09:33:53en
thesis.grantorVysoké učení technické v Brně. Fakulta strojního inženýrství. Fakulta strojního inženýrstvícs
thesis.grantorVysoké učení technické v Brně. Středoevropský technologický institut VUT. Pokročilé instrumentace a metody pro charakterizace materiálůcs
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