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We present a physics-constrained control-oriented deep learning method for modeling building thermal dynamics. The proposed method is based on the systematic encoding of physics-based prior knowledge into a structured recurrent neural…

Machine Learning · Computer Science 2020-11-13 Jan Drgona , Aaron R. Tuor , Vikas Chandan , Draguna L. Vrabie

Accurately predicting the temperature field in metal additive manufacturing (AM) processes is critical to preventing overheating, adjusting process parameters, and ensuring process stability. While physics-based computational models offer…

Machine Learning · Computer Science 2024-01-05 Pouyan Sajadi , Mostafa Rahmani Dehaghani , Yifan Tang , G. Gary Wang

Effective thermal conductivity is an important property of composites for different thermal management applications. Although physics-based methods, such as effective medium theory and solving partial differential equation, dominate the…

Computational Physics · Physics 2019-04-15 Qingyuan Rong , Han Wei , Hua Bao

Superconductivity has been the focus of enormous research effort since its discovery more than a century ago. Yet, some features of this unique phenomenon remain poorly understood; prime among these is the connection between…

Foundational Machine Learning Potentials can resolve the accuracy and transferability limitations of classical force fields. They enable microscopic insights into material behavior through Molecular Dynamics simulations, which can crucially…

Computational Physics · Physics 2025-12-04 Paul Fuchs , Julija Zavadlav

Finding amorphous polymers with higher thermal conductivity is important, as they are ubiquitous in heat transfer applications. With recent progress in material informatics, machine learning approaches have been increasingly adopted for…

Materials Science · Physics 2021-09-08 Ruimin Ma , Hanfeng Zhang , Jiaxin Xu , Yoshihiro Hayashi , Ryo Yoshida , Junichiro Shiomi , Tengfei Luo

Developing accurate models for chemical reactors is often challenging due to the complexity of reaction kinetics and process dynamics. Traditional approaches require retraining models for each new system, limiting generalizability and…

Computational Engineering, Finance, and Science · Computer Science 2025-05-29 Zihao Wang , Zhe Wu

Climate models play a critical role in understanding and projecting climate change. Due to their complexity, their horizontal resolution of about 40-100 km remains too coarse to resolve processes such as clouds and convection, which need to…

Machine Learning · Computer Science 2025-03-18 Birgit Kühbacher , Fernando Iglesias-Suarez , Niki Kilbertus , Veronika Eyring

The study of structure-spectrum relationships is essential for spectral interpretation, impacting structural elucidation and material design. Predicting spectra from molecular structures is challenging due to their complex relationships.…

Computational Physics · Physics 2024-08-29 Fanjie Xu , Wentao Guo , Feng Wang , Lin Yao , Hongshuai Wang , Fujie Tang , Zhifeng Gao , Linfeng Zhang , Weinan E , Zhong-Qun Tian , Jun Cheng

Machine learning has proven to be a valuable tool to approximate functions in high-dimensional spaces. Unfortunately, analysis of these models to extract the relevant physics is never as easy as applying machine learning to a large dataset…

Materials Science · Physics 2020-05-06 Conrad W. Rosenbrock , Eric R. Homer , Gábor Csányi , Gus L. W. Hart

We introduce a time-embedded convolutional neural network (TCNN) for modeling spatiotemporal heat transport in plasmas, particularly under strongly nonlocal conditions. In our earlier work, the LMV-Informed Neural Network (LINN) (Luo et…

Machine learning models have emerged as a very effective strategy to sidestep time-consuming electronic-structure calculations, enabling accurate simulations of greater size, time scale and complexity. Given the interpolative nature of…

This study presents a data-driven spatial interpolation algorithm based on physics-informed graph neural networks used to develop national temperature-at-depth maps for the conterminous United States. The model was trained to approximately…

Geophysics · Physics 2024-03-18 Mohammad J. Aljubran , Roland N. Horne

As data-driven methods rise in popularity in materials science applications, a key question is how these machine learning models can be used to understand microstructure. Given the importance of process-structure-property relations…

Artificial Intelligence · Computer Science 2017-11-02 Julia Ling , Maxwell Hutchinson , Erin Antono , Brian DeCost , Elizabeth A. Holm , Bryce Meredig

Irradiation-induced void swelling is a critical degradation mechanism for structural materials in nuclear reactors, dictating component operational lifespan and safety. While recent machine learning (ML) approaches have improved the…

Applications · Statistics 2026-03-03 Minhee Kim , Yong Yang

Understanding the thermal behavior of additive manufacturing (AM) processes is crucial for enhancing the quality control and enabling customized process design. Most purely physics-based computational models suffer from intensive…

Machine Learning · Computer Science 2023-01-20 Shuheng Liao , Tianju Xue , Jihoon Jeong , Samantha Webster , Kornel Ehmann , Jian Cao

Machine learning techniques are powerful tools for construction of emulators for complex systems. We explore different machine learning methods and conceptual methodologies, ranging from functional approximations to dynamical…

Dynamical Systems · Mathematics 2021-01-01 Hannah Lu , Dinara Ermakova , Haruko Murakami Wainwright , Liange Zheng , Daniel M. Tartakovsky

With the popularity of electric vehicles, the demand for lithium-ion batteries is increasing. Temperature significantly influences the performance and safety of batteries. Battery thermal management systems can effectively control the…

Machine Learning · Computer Science 2026-01-07 Zheng Liu , Yuan Jiang , Yumeng Li , Pingfeng Wang

Micro/nano porous polymeric material is considered a unique industrial material due to its extremely low thermal conductivity, low density, and high surface area. Therefore, it is necessary to establish an accurate thermal conductivity…

Computational Physics · Physics 2021-08-31 Haiyan Yu , Haochun Zhang , Jinchuan Zhao , Jing Liu , Xinlin Xia , Xiaohu Wu

Understanding thermal stress evolution in metal additive manufacturing (AM) is crucial for producing high-quality components. Recent advancements in machine learning (ML) have shown great potential for modeling complex multiphysics problems…

Machine Learning · Computer Science 2024-12-30 R. Sharma , Y. B. Guo