Resolving Mixtures of Soot Characterized by SP-AMS Spectra Using a Latent Dirichlet Allocation Model

Soot produced by detonation or combustion events exhibits different chemical properties depending on the fuel, device construction, and environmental conditions in which the event occurs. These properties can be useful for defining relevant signatures for probabilistically identifying the different types of events that occurred, based on the soot that is produced from these events. However, it is rare to observe samples of soot from a detonation or combustion that are not contaminated by outside particles. In this paper, we present a method for resolving mixtures of soot to determine the contributions of sources that may be present in samples of recovered soot. We use Latent Dirichlet Allocation to describe the generative process for a sample of recovered soot, and use Variational Bayesian Inference to learn about the parameters associated with the generative model. We demonstrate the utility of this method by considering real samples of mixtures of soot under various frameworks to show that the model is able to identify the different components present in a sample of soot as well as their mixing proportions.

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Journal
Data Science in Science
Published
2025-12-30
DOI
https://doi.org/10.1080/26941899.2025.2600718
Primary Topic
Machine Learning in Materials Science
Type
article
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article

Resolving Mixtures of Soot Characterized by SP-AMS Spectra Using a Latent Dirichlet Allocation Model

James E. Lee, Ryan Farley, Rachel C. Huber, A. C. Aiken et al.
Data Science in Science
Machine Learning in Materials Science
article

Resolving Mixtures of Soot Characterized by SP-AMS Spectra Using a Latent Dirichlet Allocation Model

James E. Lee, Ryan Farley, Rachel C. Huber, A. C. Aiken, Madeline A. Stricklin
article en

Abstract

Soot produced by detonation or combustion events exhibits different chemical properties depending on the fuel, device construction, and environmental conditions in which the event occurs. These properties can be useful for defining relevant signatures for probabilistically identifying the different types of events that occurred, based on the soot that is produced from these events. However, it is rare to observe samples of soot from a detonation or combustion that are not contaminated by outside particles. In this paper, we present a method for resolving mixtures of soot to determine the contributions of sources that may be present in samples of recovered soot. We use Latent Dirichlet Allocation to describe the generative process for a sample of recovered soot, and use Variational Bayesian Inference to learn about the parameters associated with the generative model. We demonstrate the utility of this method by considering real samples of mixtures of soot under various frameworks to show that the model is able to identify the different components present in a sample of soot as well as their mixing proportions.

Data Science in ScienceVol. 5(1)
Los Alamos National Laboratory (US)
Openalex Percentile: Top 47%
Machine Learning in Materials Science
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Resolving Mixtures of Soot Characterized by SP-AMS Spectra Using a Latent Dirichlet Allocation Model — James E. Lee, Ryan Farley, et al. · Data Science in Science (2025) | TGRS Research Map | TGRS