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Encoding PGAA Spectra as Images for Material Classification with Convolutional Neural Networks
Nathan A Mahynski1, David A Sheen1, Rick L Paul1
1Chemical Sciences Division, National Institute of Standards and Technology, Gaithersburg, MD 20899-8320, USA.
Journal of Radioanalytical and Nuclear Chemistry
|May 15, 2026
Summary
Deep convolutional neural networks (CNNs) can identify materials using prompt gamma ray activation analysis (PGAA) spectra. These AI models offer explainability and can detect unknown materials, paving the way for automated material identification.
Area of Science:
- Nuclear Physics
- Materials Science
- Artificial Intelligence
Background:
- Prompt Gamma Ray Activation Analysis (PGAA) is a nuclear technique for elemental analysis.
- Deep Convolutional Neural Networks (CNNs) have shown success in various pattern recognition tasks.
- Material identification often relies on spectral data analysis, which can be complex.
Purpose of the Study:
- To investigate the efficacy of deep convolutional neural networks (CNNs) for material classification using PGAA spectra.
- To explore the use of transfer learning with pre-trained 2D CNN models to reduce trainable parameters.
- To assess the explainability and out-of-distribution detection capabilities of CNNs for material identification.
Main Methods:
- Training 2D CNN models on PGAA spectral data for material classification.
- Utilizing transfer learning from open-source computer vision models.
- Employing class activation maps for model interpretability.
- Implementing out-of-distribution detection methods to identify novel materials.
Main Results:
- CNNs successfully classified materials based on their PGAA spectra.
- Transfer learning enabled model development with fewer trainable parameters.
- Class activation maps provided insights into the decision-making process of the CNNs.
- Out-of-distribution tests demonstrated the ability to flag spectra from un Dseen materials.
Conclusions:
- CNNs are effective tools for automated material identification using PGAA spectra.
- The combination of transfer learning, explainability, and out-of-distribution detection makes CNNs suitable for real-world applications.
- This approach offers a promising direction for advancing material analysis and identification technologies.
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