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Enhanced Detection of Primary Biological Aerosol Particles Using Machine Learning and Single-Particle Measurement
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    Enhanced Detection of Primary Biological Aerosol Particles Using Machine Learning and Single-Particle Measurement
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    • Ashfiqur Rahman
      Ashfiqur Rahman
      Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, Richland, Washington 99354, United States
    • Nurun Nahar Lata
      Nurun Nahar Lata
      Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, Richland, Washington 99354, United States
    • Bruna Grasielli Sebben
      Bruna Grasielli Sebben
      Department of Environmental Engineering, Federal University of Paraná, Curitiba 81531, Brazil
    • Darielle Dexheimer
      Darielle Dexheimer
      Sandia National Laboratories, Albuquerque, New Mexico 87123, United States
    • Zezhen Cheng
      Zezhen Cheng
      Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, Richland, Washington 99354, United States
      More by Zezhen Cheng
    • Ricardo Henrique Moreton Godoi
      Ricardo Henrique Moreton Godoi
      Department of Environmental Engineering, Federal University of Paraná, Curitiba 81531, Brazil
    • Aivett Bilbao
      Aivett Bilbao
      Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, Richland, Washington 99354, United States
    • Swarup China*
      Swarup China
      Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, Richland, Washington 99354, United States
      *Email: [email protected]
      More by Swarup China
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    ACS ES&T Engineering

    Cite this: ACS EST Engg. 2024, 4, 10, 2393–2402
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    https://doi.org/10.1021/acsestengg.4c00262
    Published August 7, 2024
    Copyright © 2024 American Chemical Society

    Abstract

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    Accurately identifying primary biological aerosol particles (PBAPs) using analytical techniques poses inherent challenges due to their resemblance to other atmospheric carbonaceous particles. We present a study of an enhanced method for detecting PBAPs by combining single-particle measurement with advanced supervised machine learning (SML) techniques. We analyzed ambient particles from a variety of environments and lab-generated standards, focusing on chemical composition for traditional rule-based and clustering approaches and incorporating morphological features into the SML approaches, neural networks and XGBoost, for improved accuracy. This study demonstrates that SML methods outperform traditional methods in quantifying PBAPs, achieving significant improvements in precision, recall, F1-score, and accuracy, leading to an increased number of detected PBAPs by at least 19%. The adaptability of the proposed XGBoost-based SML model is showcased in comparison to traditional methods in categorizing PBAPs for blind data sets from different geographical locations. Two field case studies were investigated, over agricultural land and Amazonia rain forest, representing relatively low and high concentrations of PBAPs, respectively, where XGBoost consistently detected up to 3.5 times more PBAPs than traditional methods. Precise detection of PBAPs in the atmosphere could significantly improve the prediction of climatic impacts by them.

    Copyright © 2024 American Chemical Society

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    Supporting Information

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    The Supporting Information is available free of charge at https://pubs.acs.org/doi/10.1021/acsestengg.4c00262.

    • Description of the training process for the SML classifiers; all classifier descriptions; detailed table of the class-wise evaluation metric; related terms and their usage in a confusion matrix; representative microscopy images and corresponding EDX spectra; comparison of normalized size distributions between ambient and standard labeled data for each particle class; overall distribution of categorized labeled data, with and without resampling; optimal learning rate search for NN; probability distribution for each particle class; and distribution of particles by each class detected using two SML algorithms (PDF)

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    ACS ES&T Engineering

    Cite this: ACS EST Engg. 2024, 4, 10, 2393–2402
    Click to copy citationCitation copied!
    https://doi.org/10.1021/acsestengg.4c00262
    Published August 7, 2024
    Copyright © 2024 American Chemical Society

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