Reduced Order Modeling of Energetic Materials Using Physics-Aware Recurrent Convolutional Neural Networks in a Latent Space (LatentPARC)
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| Main Authors: | , , , , , |
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| Format: | Preprint |
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2025
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| _version_ | 1866917146203783168 |
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| author | Gray, Zoë J. Choi, Joseph B. Choi, Youngsoo Springer, H. Keo Udaykumar, H. S. Baek, Stephen S. |
| author_facet | Gray, Zoë J. Choi, Joseph B. Choi, Youngsoo Springer, H. Keo Udaykumar, H. S. Baek, Stephen S. |
| contents | Physics-aware deep learning (PADL) has gained popularity for use in complex spatiotemporal dynamics (field evolution) simulations, such as those that arise frequently in computational modeling of energetic materials (EM). Here, we show that the challenge PADL methods face while learning complex field evolution problems can be simplified and accelerated by decoupling it into two tasks: learning complex geometric features in evolving fields and modeling dynamics over these features in a lower dimensional feature space. To accomplish this, we build upon our previous work on physics-aware recurrent convolutions (PARC). PARC embeds knowledge of underlying physics into its neural network architecture for more robust and accurate prediction of evolving physical fields. PARC was shown to effectively learn complex nonlinear features such as the formation of hotspots and coupled shock fronts in various initiation scenarios of EMs, as a function of microstructures, serving effectively as a microstructure-aware burn model. In this work, we further accelerate PARC and reduce its computational cost by projecting the original dynamics onto a lower-dimensional invariant manifold, or 'latent space.' The projected latent representation encodes the complex geometry of evolving fields (e.g. temperature and pressure) in a set of data-driven features. The reduced dimension of this latent space allows us to learn the dynamics during the initiation of EM with a lighter and more efficient model. We observe a significant decrease in training and inference time while maintaining results comparable to PARC at inference. This work takes steps towards enabling rapid prediction of EM thermomechanics at larger scales and characterization of EM structure-property-performance linkages at a full application scale. |
| format | Preprint |
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arxiv_https___arxiv_org_abs_2509_12401 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Reduced Order Modeling of Energetic Materials Using Physics-Aware Recurrent Convolutional Neural Networks in a Latent Space (LatentPARC) Gray, Zoë J. Choi, Joseph B. Choi, Youngsoo Springer, H. Keo Udaykumar, H. S. Baek, Stephen S. Materials Science Machine Learning Physics-aware deep learning (PADL) has gained popularity for use in complex spatiotemporal dynamics (field evolution) simulations, such as those that arise frequently in computational modeling of energetic materials (EM). Here, we show that the challenge PADL methods face while learning complex field evolution problems can be simplified and accelerated by decoupling it into two tasks: learning complex geometric features in evolving fields and modeling dynamics over these features in a lower dimensional feature space. To accomplish this, we build upon our previous work on physics-aware recurrent convolutions (PARC). PARC embeds knowledge of underlying physics into its neural network architecture for more robust and accurate prediction of evolving physical fields. PARC was shown to effectively learn complex nonlinear features such as the formation of hotspots and coupled shock fronts in various initiation scenarios of EMs, as a function of microstructures, serving effectively as a microstructure-aware burn model. In this work, we further accelerate PARC and reduce its computational cost by projecting the original dynamics onto a lower-dimensional invariant manifold, or 'latent space.' The projected latent representation encodes the complex geometry of evolving fields (e.g. temperature and pressure) in a set of data-driven features. The reduced dimension of this latent space allows us to learn the dynamics during the initiation of EM with a lighter and more efficient model. We observe a significant decrease in training and inference time while maintaining results comparable to PARC at inference. This work takes steps towards enabling rapid prediction of EM thermomechanics at larger scales and characterization of EM structure-property-performance linkages at a full application scale. |
| title | Reduced Order Modeling of Energetic Materials Using Physics-Aware Recurrent Convolutional Neural Networks in a Latent Space (LatentPARC) |
| topic | Materials Science Machine Learning |
| url | https://arxiv.org/abs/2509.12401 |