rus
Issue #2/2024
A. V. Sahakyan, A. D. Levin
Software for Spectral Data Processing by Chemometrics and Machine Learning Methods
Software for Spectral Data Processing by Chemometrics and Machine Learning Methods
https://doi.org/10.22184/2227-572X.2024.14.2.154.160
The article describes a software package that supports the basic methods of chemometrics, and machine learning used for spectral data processing. The package can be used both as part of the software for analytical spectral instruments or independently. The package contains both common methods (linear and quadratic discriminant analysis, principal component regression, and partial least squares), as well as lesser known but proven effective in processing spectra, including the random forest method and extreme gradient boosting. Data on the testing of the program are provided, incl. an example of using the developed software package to solve problems of classifying black carbon particles according to the initial combustion objects.
Tags: chemometrics classification fluorescence machine learning photometry raman scattering regression software spectra spectroscopy классификация комбинационное (рамановское) рассеяние машинное обучение программное обеспечение регрессия спектр спектроскопия флуоресценция фотометрия хемометрика
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The article describes a software package that supports the basic methods of chemometrics, and machine learning used for spectral data processing. The package can be used both as part of the software for analytical spectral instruments or independently. The package contains both common methods (linear and quadratic discriminant analysis, principal component regression, and partial least squares), as well as lesser known but proven effective in processing spectra, including the random forest method and extreme gradient boosting. Data on the testing of the program are provided, incl. an example of using the developed software package to solve problems of classifying black carbon particles according to the initial combustion objects.
Tags: chemometrics classification fluorescence machine learning photometry raman scattering regression software spectra spectroscopy классификация комбинационное (рамановское) рассеяние машинное обучение программное обеспечение регрессия спектр спектроскопия флуоресценция фотометрия хемометрика
Subscribe to the journal Analytics to read the full article.
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