Machine learning enhanced atom probe tomography analysis: a snapshot review

Fuente: arXiv
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Main Authors: Li, Yue, Wei, Ye, Saxena, Alaukik, Kühbach, Markus, Freysoldt, Christoph, Gault, Baptiste
Format: Preprint
Published: 2025
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author Li, Yue
Wei, Ye
Saxena, Alaukik
Kühbach, Markus
Freysoldt, Christoph
Gault, Baptiste
author_facet Li, Yue
Wei, Ye
Saxena, Alaukik
Kühbach, Markus
Freysoldt, Christoph
Gault, Baptiste
contents Atom probe tomography (APT) is a burgeoning characterization technique that provides compositional mapping of materials in three-dimensions at near-atomic scale. Since its significant expansion in the past 30 years, we estimate that one million APT datasets have been collected, each containing millions to billions of individual ions. Their analysis and the extraction of microstructural information has largely relied upon individual users whose varied level of expertise causes clear and documented bias. Current practices hinder efficient data processing, and make challenging standardization and the deployment of data analysis workflows that would be compliant with FAIR data principles. Over the past decade, building upon the long-standing expertise of the APT community in the development of advanced data processing or data mining techniques, there has been a surge of novel machine learning (ML) approaches aiming for user-independence, and that are efficient, reproducible, and robust from a statistics perspective. Here, we provide a snapshot review of this rapidly evolving field. We begin with a brief introduction to APT and the nature of the APT data. This is followed by an overview of relevant ML algorithms and a comprehensive review of their applications to APT. We also discuss how ML can enable discoveries beyond human capability, offering new insights into the mechanisms within materials. Finally, we provide guidance for future directions in this domain.
format Preprint
id arxiv_https___arxiv_org_abs_2504_14378
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle Machine learning enhanced atom probe tomography analysis: a snapshot review
Li, Yue
Wei, Ye
Saxena, Alaukik
Kühbach, Markus
Freysoldt, Christoph
Gault, Baptiste
Materials Science
Machine Learning
Atom probe tomography (APT) is a burgeoning characterization technique that provides compositional mapping of materials in three-dimensions at near-atomic scale. Since its significant expansion in the past 30 years, we estimate that one million APT datasets have been collected, each containing millions to billions of individual ions. Their analysis and the extraction of microstructural information has largely relied upon individual users whose varied level of expertise causes clear and documented bias. Current practices hinder efficient data processing, and make challenging standardization and the deployment of data analysis workflows that would be compliant with FAIR data principles. Over the past decade, building upon the long-standing expertise of the APT community in the development of advanced data processing or data mining techniques, there has been a surge of novel machine learning (ML) approaches aiming for user-independence, and that are efficient, reproducible, and robust from a statistics perspective. Here, we provide a snapshot review of this rapidly evolving field. We begin with a brief introduction to APT and the nature of the APT data. This is followed by an overview of relevant ML algorithms and a comprehensive review of their applications to APT. We also discuss how ML can enable discoveries beyond human capability, offering new insights into the mechanisms within materials. Finally, we provide guidance for future directions in this domain.
title Machine learning enhanced atom probe tomography analysis: a snapshot review
topic Materials Science
Machine Learning
url https://arxiv.org/abs/2504.14378