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Surrogate models provide efficient alternatives to computationally demanding real world processes but often require large datasets for effective training. A promising solution to this limitation is the transfer of pre-trained surrogate…

Machine Learning · Computer Science 2025-05-14 Shuaiqun Pan , Diederick Vermetten , Manuel López-Ibáñez , Thomas Bäck , Hao Wang

Understanding and modeling plasma-surface interactions frame a multi-scale as well as multi-physics problem. Scale-bridging machine learning surface surrogate models have been demonstrated to perceive the fundamental atomic fidelity for the…

Materials Science · Physics 2023-06-13 Tobias Gergs , Thomas Mussenbrock , Jan Trieschmann

One of the main challenges in building high-fidelity surrogate models of tokamak turbulence is the substantial demand for high-quality data. Typically, producing high-quality data involves simulating complex physical processes, which…

Scientific machine learning is increasingly being spoken of as universal emulators for classical numerical solvers for multi-scale partial differential equations, but most apparent successes can be explained by facts that also define their…

Mathematical Physics · Physics 2026-04-23 Karthik Duraisamy

Neural Networks (NNs) are effective models for refining the accuracy of molecular dynamics, opening up new fields of application. Typically trained bottom-up, atomistic NN potential models can reach first-principle accuracy, while…

Chemical Physics · Physics 2025-05-19 Paul Fuchs , Stephan Thaler , Sebastien Röcken , Julija Zavadlav

A common trend in simulation-driven engineering applications is the ever-increasing size and complexity of the problem, where classical numerical methods typically suffer from significant computational time and huge memory cost. Methods…

Computational Engineering, Finance, and Science · Computer Science 2025-10-28 Jiachen Guo , Chanwook Park , Xiaoyu Xie , Zhongsheng Sang , Gregory J. Wagner , Wing Kam Liu

Kinetic simulations excel at capturing microscale plasma physics phenomena with high accuracy, but their computational demands make them impractical for modeling large-scale space and astrophysical systems. In this context, we build a…

Plasma Physics · Physics 2025-09-05 Simin Shekarpaz , Chuanfei Dong , Ziyu Huang

Large neural networks are typically trained for a fixed computational budget, creating a rigid trade-off between performance and efficiency that is ill-suited for deployment in resource-constrained or dynamic environments. Existing…

Machine Learning · Computer Science 2026-03-05 Paulius Rauba , Mihaela van der Schaar

Within integrated tokamak plasma modelling, turbulent transport codes are typically the computational bottleneck limiting their routine use outside of post-discharge analysis. Neural network (NN) surrogates have been used to accelerate…

We propose a method for obtaining statistically guaranteed prediction sets for functional machine learning methods: surrogate models which map between function spaces, motivated by the need to build reliable PDE emulators. The method…

Machine Learning · Computer Science 2025-06-23 Ander Gray , Vignesh Gopakumar , Sylvain Rousseau , Sébastien Destercke

Surrogate models are often used as computationally efficient approximations to complex simulation models, enabling tasks such as solving inverse problems, sensitivity analysis, and probabilistic forward predictions, which would otherwise be…

Machine Learning · Statistics 2026-05-13 Philipp Reiser , Paul-Christian Bürkner , Anneli Guthke

Decision support systems often rely on solving complex optimization problems that may require to estimate uncertain parameters beforehand. Recent studies have shown how using traditionally trained estimators for this task can lead to…

Machine Learning · Computer Science 2025-12-19 Gaetano Signorelli , Michele Lombardi

Temperature field prediction is of great importance in the thermal design of systems engineering, and building the surrogate model is an effective way for the task. Generally, large amounts of labeled data are required to guarantee a good…

Machine Learning · Computer Science 2023-01-18 Yunyang Zhang , Zhiqiang Gong , Weien Zhou , Xiaoyu Zhao , Xiaohu Zheng , Wen Yao

Reduced-order models, also known as proxy model or surrogate model, are approximate models that are less computational expensive as opposed to fully descriptive models. With the integration of machine learning, these models have garnered…

Machine Learning · Computer Science 2024-10-15 Jungang Chen , Eduardo Gildin , John Killough

The widespread integration of deep neural networks in developing data-driven surrogate models for high-fidelity simulations of complex physical systems highlights the critical necessity for robust uncertainty quantification techniques and…

Computational Engineering, Finance, and Science · Computer Science 2024-05-15 Pratyush Kumar Singh , Kathryn A. Farrell-Maupin , Danial Faghihi

Toroidal rotation is crucial for maintaining stable and high performance plasmas in tokamak fusion reactors. Among its driving mechanisms, the neoclassical toroidal viscosity (NTV) torque--induced by three-dimensional magnetic…

Plasma Physics · Physics 2026-04-16 Xingting Yan , Yuetao Meng , Nana Bao , Youwen Sun , Weiyong Zhou , Jinpeng Huang

With the proliferation of mobile devices and the Internet of Things, deep learning models are increasingly deployed on devices with limited computing resources and memory, and are exposed to the threat of adversarial noise. Learning deep…

Computer Vision and Pattern Recognition · Computer Science 2021-12-30 Xian Wei , Yanhui Huang , Yangyu Xu , Mingsong Chen , Hai Lan , Yuanxiang Li , Zhongfeng Wang , Xuan Tang

One of the main challenges in modeling massive stars to the onset of core collapse is the computational bottleneck of nucleosynthesis during advanced burning stages. The number of isotopes formed requires solving a large set of…

Operator-based neural network architectures such as DeepONets have emerged as a promising tool for the surrogate modeling of physical systems. In general, towards operator surrogate modeling, the training data is generated by solving the…

Machine Learning · Computer Science 2024-02-28 Shivam Choubey , Birupaksha Pal , Manish Agrawal

Process-based hydrologic models are invaluable tools for understanding the terrestrial water cycle and addressing modern water resources problems. However, many hydrologic models are computationally expensive and, depending on the…

Geophysics · Physics 2025-02-11 Timothy Dai , Kate Maher , Zach Perzan
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