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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.
Abstract:
We trained deep convolutional neural networks (CNN) to classify a material based on its prompt gamma ray activation analysis (PGAA) spectrum. We focused on two dimensional (2D) models to leverage abundant open-source models pre-trained on other computer vision tasks for transfer learning. This allows models to be built with a relatively small number of trainable parameters. Moreover, CNNs can be explained naturally using class activation maps and can be equipped with out-of-distribution tests to identify materials which were not present in its training set. Together, these features suggest such models may be excellent candidates for automated material identification in real-world scenarios.
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