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Related papers: Physics-Informed Machine Learning for Pouch Cell T…

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We present a Physics-Informed Neural Network (PINN) to simulate the thermochemical evolution of a composite material on a tool undergoing cure in an autoclave. In particular, we solve the governing coupled system of differential equations…

Machine Learning · Computer Science 2021-06-16 Sina Amini Niaki , Ehsan Haghighat , Trevor Campbell , Anoush Poursartip , Reza Vaziri

The predictive accuracy of Machine Learning (ML) models of molecular properties depends on the choice of the molecular representation. Based on the postulates of quantum mechanics, we introduce a hierarchy of representations which meet…

Chemical Physics · Physics 2016-11-23 Bing Huang , O. Anatole von Lilienfeld

This paper presents a study of accuracy issues in thermal modeling of high power LED modules on system level. Both physical as well as numerical accuracy issues are addressed. Incorrect physical assumptions may result in seemingly correct,…

Materials Science · Physics 2007-09-13 D. Benoy

Electrochemical devices (batteries, fuel cells, and electrolyzers) are in full development, driven by the green energy transition. Their real-time control requires ms predictions in order to take critical decisions during fast transients or…

Applied Physics · Physics 2026-01-27 Remus Teodorescu , Yusheng Zheng , Yi Zhuang , Dominic Karnehm , Javid Beyrami

This study employed an artificial intelligence-enhanced molecular simulation framework to enable efficient Path Integral Molecular Dynamics (PIMD) simulations. Owing to its modular architecture and high-throughput capabilities, the…

Chemical Physics · Physics 2025-04-01 Cheng Fan , Maodong Li , Sihao Yuan , Zhaoxin Xie , Dechin Chen , Yi Isaac Yang , Yi Qin Gao

Physics-informed machine learning combines the expressiveness of data-based approaches with the interpretability of physical models. In this context, we consider a general regression problem where the empirical risk is regularized by a…

Artificial Intelligence · Computer Science 2025-07-15 Nathan Doumèche , Francis Bach , Gérard Biau , Claire Boyer

We investigated the accelerated prediction of the thermal conductivity of materials through end- to-end structure-based approaches employing machine learning methods. Due to the non-availability of high-quality thermal conductivity data, we…

Materials Science · Physics 2023-11-07 Yagyank Srivastava , Ankit Jain

Physics-Informed Neural Networks present a novel approach in SciML that integrates physical laws in the form of partial differential equations directly into the NN through soft constraints in the loss function. This work studies the…

Neural and Evolutionary Computing · Computer Science 2026-02-17 Suhas Suresh Bharadwaj , Reuben Thomas Thovelil

Heating, Ventilation, and Air-Conditioning (HVAC) systems account for a substantial share of global building energy use, making reliable anomaly detection essential for improving efficiency and reducing emissions. Classical rule-based…

Artificial Intelligence · Computer Science 2025-10-21 Subin Lin , Chuanbo Hua

In the field of phase change phenomena, the lack of accessible and diverse datasets suitable for machine learning (ML) training poses a significant challenge. Existing experimental datasets are often restricted, with limited availability…

Combining machine learning with physics is a trending approach for discovering unknown dynamics, and one of the most intensively studied frameworks is the physics-informed neural network (PINN). However, PINN often fails to optimize the…

Machine Learning · Computer Science 2023-11-29 Yuichi Kajiura , Jorge Espin , Dong Zhang

Most environmental data come from a minority of well-monitored sites. An ongoing challenge in the environmental sciences is transferring knowledge from monitored sites to unmonitored sites. Here, we demonstrate a novel transfer learning…

Machine Learning · Computer Science 2021-08-11 Jared D. Willard , Jordan S. Read , Alison P. Appling , Samantha K. Oliver , Xiaowei Jia , Vipin Kumar

The thermal subsystem of the Mars Express (MEX) spacecraft keeps the on-board equipment within its pre-defined operating temperatures range. To plan and optimize the scientific operations of MEX, its operators need to estimate in advance,…

Characterizing the temperature-dependent thermal conductivity is challenging because the property varies strongly with temperature and reliable heat flow measurement, not just temperature sensing, is difficult under experimental conditions.…

Computational Physics · Physics 2025-10-21 Hyeonbin Moon , Hanbin Cho , Wabi Demeke , Byungki Ryu , Seunghwa Ryu

Safety against thermal failures is crucial in battery systems. Real-time thermal diagnostics can be a key enabler of such safer batteries. Thermal fault diagnostics in large format pouch or prismatic cells pose additional challenges…

Systems and Control · Electrical Eng. & Systems 2021-09-14 Sara Sattarzadeh , Tanushree Roy , Satadru Dey

The optimization of cooling systems is important in many cases, for example for cabin and battery cooling in electric cars. Such an optimization is governed by multiple, conflicting objectives and it is performed across a multi-dimensional…

Human-Computer Interaction · Computer Science 2025-07-25 Rainer Splechtna , Majid Behravan , Mario Jelovic , Denis Gracanin , Helwig Hauser , Kresimir Matkovic

Predicting patient features from single-cell data can help identify cellular states implicated in health and disease. Linear models and average cell type expressions are typically favored for this task for their efficiency and robustness,…

Machine Learning · Computer Science 2024-03-11 Jan P. Engelmann , Alessandro Palma , Jakub M. Tomczak , Fabian J. Theis , Francesco Paolo Casale

Data-driven techniques are increasingly used to replace electronic-structure calculations of matter. In this context, a relevant question is whether machine learning (ML) should be applied directly to predict the desired properties or be…

We introduce GlassMLP, a machine learning framework using physics-inspired structural input to predict the long-time dynamics in deeply supercooled liquids. We apply this deep neural network to atomistic models in 2D and 3D. Its performance…

Soft Condensed Matter · Physics 2023-09-29 Gerhard Jung , Giulio Biroli , Ludovic Berthier

For Prognostics and Health Management (PHM) of Lithium-ion (Li-ion) batteries, many models have been established to characterize their degradation process. The existing empirical or physical models can reveal important information regarding…

Signal Processing · Electrical Eng. & Systems 2023-09-12 Pengfei Wen , Zhi-Sheng Ye , Yong Li , Shaowei Chen , Pu Xie , Shuai Zhao
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