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Partial differential equations (PDEs) govern a wide variety of dynamical processes in science and engineering, yet obtaining their numerical solutions often requires high-resolution discretizations and repeated evaluations of complex…

Machine Learning · Computer Science 2026-01-26 Valentin Duruisseaux , Jean Kossaifi , Anima Anandkumar

Modeling high-frequency information is a critical challenge in scientific machine learning. For instance, fully turbulent flow simulations of the Navier-Stokes equations at Reynolds numbers 3500 and above can generate high-frequency signals…

Machine Learning · Computer Science 2026-01-13 Marimuthu Kalimuthu , David Holzmüller , Mathias Niepert

This paper introduces an operator-based neural network, the mirror-padded Fourier neural operator (MFNO), designed to learn the dynamics of stochastic systems. MFNO extends the standard Fourier neural operator (FNO) by incorporating mirror…

Machine Learning · Computer Science 2025-07-25 Wonjae Lee , Taeyoung Kim , Hyungbin Park

Objective: Real-time adaptive proton range verification systems based on produced neutrons require accurate information on their non-isotropic momentum distributions within short times, for which Monte Carlo (MC) methods are too…

Numerical simulations are essential tools to evaluate the solution of the wave equation in complex settings, such as three-dimensional (3D) domains with heterogeneous properties. However, their application is limited by high computational…

Machine Learning · Computer Science 2025-04-09 Fanny Lehmann , Filippo Gatti , Didier Clouteau

Partial Differential Equation (PDE) problems often exhibit strong local spatial structures, and effectively capturing these structures is critical for approximating their solutions. Recently, the Fourier Neural Operator (FNO) has emerged as…

Machine Learning · Computer Science 2025-06-05 Chaoyu Liu , Davide Murari , Lihao Liu , Yangming Li , Chris Budd , Carola-Bibiane Schönlieb

This paper focuses on the feasibility of Deep Neural Operator (DeepONet) as a robust surrogate modeling method within the context of digital twin (DT) for nuclear energy systems. Through benchmarking and evaluation, this study showcases the…

Machine Learning · Statistics 2024-04-30 Kazuma Kobayashi , Syed Bahauddin Alam

The CO2 capture efficiency in solvent-based carbon capture systems (CCSs) critically depends on the gas-solvent interfacial area (IA), making maximization of IA a foundational challenge in CCS design. While the IA associated with a…

Machine Learning · Computer Science 2021-12-23 Brian Bartoldson , Rui Wang , Yucheng Fu , David Widemann , Sam Nguyen , Jie Bao , Zhijie Xu , Brenda Ng

Developing accurate, data-efficient surrogate models is central to advancing AI for Science. Neural operators (NOs), which approximate mappings between infinite-dimensional function spaces using conventional neural architectures, have…

Machine Learning · Computer Science 2025-09-26 Dibyajyoti Nayak , Somdatta Goswami

Deep-learning-based surrogate models show great promise for use in geological carbon storage operations. In this work we target an important application - the history matching of storage systems characterized by a high degree of (prior)…

Computer Vision and Pattern Recognition · Computer Science 2024-02-05 Yifu Han , Francois P. Hamon , Su Jiang , Louis J. Durlofsky

Computational fluid dynamics (CFD) has become an essential tool for predicting fire behavior, yet maintaining both efficiency and accuracy remains challenging. A major source of computational cost in fire simulations is the modeling of…

Fluid Dynamics · Physics 2026-04-16 Anran Jiao , Wengyao Jiang , Xiaoyi Lu , Yi Wang , Lu Lu

The demand for high-performance materials, along with advanced synthesis technologies such as additive manufacturing and 3D printing, has spurred the development of hierarchical composites with superior properties. However, computational…

Materials Science · Physics 2023-07-20 Meer Mehran Rashid , Souvik Chakraborty , N. M. Anoop Krishnan

Neural operators, such as Fourier Neural Operators (FNO), form a principled approach for learning solution operators for PDEs and other mappings between function spaces. However, many real-world problems require high-resolution training…

Neural surrogate solvers can estimate solutions to partial differential equations in physical problems more efficiently than standard numerical methods, but require extensive high-resolution training data. In this paper, we break this…

The ubiquity of fluids in the physical world explains the need to accurately simulate their dynamics for many scientific and engineering applications. Traditionally, well established but resource intensive CFD solvers provide such…

Machine Learning · Computer Science 2021-12-21 Lucas Meyer , Louen Pottier , Alejandro Ribes , Bruno Raffin

Neural operators have emerged as powerful data-driven surrogates for learning solution operators of parametric partial differential equations (PDEs). However, widely used Fourier Neural Operators (FNOs) rely on global Fourier…

Computationally efficient surrogates for parametrized physical models play a crucial role in science and engineering. Operator learning provides data-driven surrogates that map between function spaces. However, instead of full-field…

Machine Learning · Computer Science 2024-12-31 Daniel Zhengyu Huang , Nicholas H. Nelsen , Margaret Trautner

This paper explores Neural Operators to predict turbulent flows, focusing on the Fourier Neural Operator (FNO) model. It aims to develop reduced-order/surrogate models for turbulent flow simulations using Machine Learning. Different model…

Fluid Dynamics · Physics 2023-07-26 Fernando Gonzalez , François-Xavier Demoulin , Simon Bernard

Simulation-based inference (SBI) is an established approach for performing Bayesian inference on scientific simulators. SBI so far works best on low-dimensional parametric models. However, it is difficult to infer function-valued…

Machine Learning · Computer Science 2025-11-17 Guy Moss , Leah Sophie Muhle , Reinhard Drews , Jakob H. Macke , Cornelius Schröder

Subsurface simulations use computational models to predict the flow of fluids (e.g., oil, water, gas) through porous media. These simulations are pivotal in industrial applications such as petroleum production, where fast and accurate…

Machine Learning · Computer Science 2022-06-16 Tailin Wu , Qinchen Wang , Yinan Zhang , Rex Ying , Kaidi Cao , Rok Sosič , Ridwan Jalali , Hassan Hamam , Marko Maucec , Jure Leskovec
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