A machine learning approach to aerosol classification for single-particle mass spectrometry

Autor: C. D. Christopoulos, S. Garimella, M. A. Zawadowicz, O. Möhler, D. J. Cziczo
Jazyk: angličtina
Rok vydání: 2018
Předmět:
Zdroj: Atmospheric Measurement Techniques, Vol 11, Pp 5687-5699 (2018)
Druh dokumentu: article
ISSN: 1867-1381
1867-8548
DOI: 10.5194/amt-11-5687-2018
Popis: Compositional analysis of atmospheric and laboratory aerosols is often conducted via single-particle mass spectrometry (SPMS), an in situ and real-time analytical technique that produces mass spectra on a single-particle basis. In this study, classifiers are created using a data set of SPMS spectra to automatically differentiate particles on the basis of chemistry and size. Machine learning algorithms build a predictive model from a training set for which the aerosol type associated with each mass spectrum is known a priori. Our primary focus surrounds the growing of random forests using feature selection to reduce dimensionality and the evaluation of trained models with confusion matrices. In addition to classifying ∼ 20 unique, but chemically similar, aerosol types, models were also created to differentiate aerosol within four broader categories: fertile soils, mineral/metallic particles, biological particles, and all other aerosols. Differentiation was accomplished using ∼ 40 positive and negative spectral features. For the broad categorization, machine learning resulted in a classification accuracy of ∼ 93 %. Classification of aerosols by specific type resulted in a classification accuracy of ∼ 87 %. The trained model was then applied to a blind mixture of aerosols which was known to be a subset of the training set. Model agreement was found on the presence of secondary organic aerosol, coated and uncoated mineral dust, and fertile soil.
Databáze: Directory of Open Access Journals
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