On the non-universality of distance metrics in laser-induced breakdown spectroscopy
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216305%3A26620%2F26%3A0198032" target="_blank" >RIV/00216305:26620/26:0198032 - isvavai.cz</a>
Result on the web
<a href="https://pubs.rsc.org/en/content/articlelanding/2025/ja/d4ja00377b" target="_blank" >https://pubs.rsc.org/en/content/articlelanding/2025/ja/d4ja00377b</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1039/D4JA00377B" target="_blank" >10.1039/D4JA00377B</a>
Alternative languages
Result language
angličtina
Original language name
On the non-universality of distance metrics in laser-induced breakdown spectroscopy
Original language description
The 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.
Czech name
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Czech description
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Classification
Type
J<sub>SC</sub> - Article in a specialist periodical, which is included in the SCOPUS database
CEP classification
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OECD FORD branch
10406 - Analytical chemistry
Result continuities
Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>S - Specificky vyzkum na vysokych skolach
Others
Publication year
2025
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
JOURNAL OF ANALYTICAL ATOMIC SPECTROMETRY
ISSN
0267-9477
e-ISSN
1364-5544
Volume of the periodical
40
Issue of the periodical within the volume
6
Country of publishing house
GB - UNITED KINGDOM
Number of pages
14
Pages from-to
1552-1565
UT code for WoS article
001492435500001
EID of the result in the Scopus database
2-s2.0-105005807325