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Neural network surrogate models have emerged as a promising approach to model solution fields for a wide variety of boundary value problems encountered in physical modeling. Stochastic problems represent an area of particularly high…

Machine Learning · Statistics 2026-05-18 Noah Wade , Kirubel Teferra

Existing deep learning-based surrogate models facilitate efficient data generation, but fall short in uncertainty quantification, efficient parameter space exploration, and reverse prediction. In our work, we introduce SurroFlow, a novel…

Machine Learning · Computer Science 2024-07-19 Jingyi Shen , Yuhan Duan , Han-Wei Shen

Multiscale problems are widely observed across diverse domains in physics and engineering. Translating these problems into numerical simulations and solving them using numerical schemes, e.g. the finite element method, is costly due to the…

Mesh-based numerical solvers are an important part in many design tool chains. However, accurate simulations like computational fluid dynamics are time and resource consuming which is why surrogate models are employed to speed-up the…

Machine Learning · Computer Science 2023-07-27 Sebastian Strönisch , Maximilian Sander , Andreas Knüpfer , Marcus Meyer

Developing surrogates for computer models has become increasingly important for addressing complex problems in science and engineering. This article introduces an artificial intelligent (AI) surrogate, referred to as the DeepSurrogate, for…

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

Scale of data and scale of computation infrastructures together enable the current deep learning renaissance. However, training large-scale deep architectures demands both algorithmic improvement and careful system configuration. In this…

Distributed, Parallel, and Cluster Computing · Computer Science 2017-09-21 Shang-Xuan Zou , Chun-Yen Chen , Jui-Lin Wu , Chun-Nan Chou , Chia-Chin Tsao , Kuan-Chieh Tung , Ting-Wei Lin , Cheng-Lung Sung , Edward Y. Chang

This study presents a deep neural network (DNN) framework that accelerates Direct Simulation Monte Carlo (DSMC) computations for rarefied-gas flows, while maintaining high physical fidelity. First, a fully connected deep neural network is…

Computational Physics · Physics 2025-07-01 Ehsan Roohi , Ahmad Shoja-sani

Simulations of high energy density physics are expensive in terms of computational resources. In particular, the computation of opacities of plasmas in the non-local thermal equilibrium (NLTE) regime can consume as much as 90\% of the total…

Plasma Physics · Physics 2021-10-12 Michael D. Vander Wal , Ryan G. McClarren , Kelli D. Humbird

The high computational cost of kinetic solvers such as DSMC remains a major challenge in rarefied flow simulations. This work presents a unified framework combining deep neural networks and neural operators to accelerate kinetic and hybrid…

Fluid Dynamics · Physics 2025-12-18 Ehsan Roohi

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

Neural networks (NNs) have proven to be a viable alternative to traditional direct numerical algorithms, with the potential to accelerate computational time by several orders of magnitude. In the present paper we study the use of…

Machine Learning · Computer Science 2023-02-09 J. Quetzalcoatl Toledo-Marin , James A. Glazier , Geoffrey Fox

A promising application of machine learning is the creation of low-cost surrogate models to mitigate computational bottlenecks in quantum many-body simulations. Here, we explore whether a neural network (NN) can be trained in the low-data…

Strongly Correlated Electrons · Physics 2026-04-28 Rohan Nain , Philip M. Dee , Kipton Barros , Steven Johnston , Thomas A. Maier

This paper designs surrogate models with uncertainty quantification capabilities to improve the thermal performance of rib-turbulated internal cooling channels effectively. To construct the surrogate, we use the deep operator network…

Fluid Dynamics · Physics 2023-06-15 Izzet Sahin , Christian Moya , Amirhossein Mollaali , Guang Lin , Guillermo Paniagua

The solution of partial differential equations (PDEs) plays a central role in numerous applications in science and engineering, particularly those involving multiphase flow in porous media. Complex, nonlinear systems govern these problems…

In astrophysical simulations, nuclear reacting flows pose computational challenges due to the stiffness of reaction networks. We introduce neural network-based surrogate models using the DeePODE framework to enhance simulation efficiency…

Instrumentation and Methods for Astrophysics · Physics 2025-10-14 Xiaoyu Zhang , Yuxiao Yi , Lile Wang , Zhi-Qin John Xu , Tianhan Zhang , Yao Zhou

Machine learning surrogate models for quantum mechanical simulations has enabled the field to efficiently and accurately study material and molecular systems. Developed models typically rely on a substantial amount of data to make reliable…

Computational Physics · Physics 2020-12-10 Muhammed Shuaibi , Saurabh Sivakumar , Rui Qi Chen , Zachary W. Ulissi

Highly accurate datasets from numerical or physical experiments are often expensive and time-consuming to acquire, posing a significant challenge for applications that require precise evaluations, potentially across multiple scenarios and…

Machine Learning · Computer Science 2026-02-06 Paolo Conti , Mengwu Guo , Attilio Frangi , Andrea Manzoni

The increased penetration of wind power introduces more operational changes of critical corridors and the traditional time-consuming transient stability constrained total transfer capability (TTC) operational planning is unable to meet the…

Systems and Control · Electrical Eng. & Systems 2020-06-30 Gao Qiu , Youbo Liu , Junyong Liu , Junbo Zhao , Lingfeng Wang , Tingjian Liu , Hongjun Gao

Neural surrogates promise large speedups over classical solvers for physical dynamics but fail silently at sharp dynamical events such as shocks, fronts, and contact. We present hybrid neural world models for physical dynamics: a recipe for…

Machine Learning · Computer Science 2026-05-28 Pranav Lakshmanan , Paras Chopra