Automatic optimization of spectral classifiers’ hyperparameters for pathogen identification through evolutionary techniques

Mehdi Feizpour; Sara Abbasi; Thomas Demuyser; Qing Liu; Hugo Thienpont; Wendy Meulebroeck; Heidi Ottevaere

doi:10.1117/12.3016250

18 June 2024 Automatic optimization of spectral classifiers’ hyperparameters for pathogen identification through evolutionary techniques

Mehdi Feizpour, Sara Abbasi, Thomas Demuyser, Qing Liu, Hugo Thienpont, Wendy Meulebroeck, Heidi Ottevaere

Author Affiliations +

Proceedings Volume 13011, Data Science for Photonics and Biophotonics; 1301105 (2024) https://doi.org/10.1117/12.3016250
Event: SPIE Photonics Europe, 2024, Strasbourg, France

Abstract

The automation of spectral classification tasks has made machine learning models essential analytical tools. However, the complexity of hyperparameter tuning limits the practical use, particularly for novices. This study applies these classifiers to identify bacteria using surface-enhanced Raman spectroscopy (SERS), offering a rapid and non-invasive alternative to the gold standard, matrix-assisted laser desorption ionization time-of-flight mass spectrometry (MALDI-TOF-MS). An evolutionary algorithm was employed to optimize the hyperparameters of 10 machine learning models. We found the topperforming model for the classification of the SERS spectra of E. coli and S. pneumoniae water suspensions. This approach yielded a test accuracy of 95.8%, 100%, 100% when using the Bernoulli Naïve Bayes, Support Vector Machine, and Multilayer Perceptron models, respectively. This demonstrates the potential of self-optimizing machine learning models as accessible analytical tools for diverse classification tasks in biophotonics. This automated approach extends to identify various samples and data structures, not just pathogens’ spectra.

Conference Presentation

(2024) Published by SPIE. Downloading of the abstract is permitted for personal use only.

Citation Download Citation

Mehdi Feizpour, Sara Abbasi, Thomas Demuyser, Qing Liu, Hugo Thienpont, Wendy Meulebroeck, and Heidi Ottevaere "Automatic optimization of spectral classifiers’ hyperparameters for pathogen identification through evolutionary techniques", Proc. SPIE 13011, Data Science for Photonics and Biophotonics, 1301105 (18 June 2024); https://doi.org/10.1117/12.3016250

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