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AI for science (AI4Science) models often suffer from discretization: learned representations remain tied to the training grid, limiting transfer across resolutions, solvers and applications. We introduce Neural Proper Orthogonal…

Computational Physics · Physics 2026-03-03 Changhong Mou , Binghang Lu , Guang Lin

Modern digital engineering design process commonly involves expensive repeated simulations on varying three-dimensional (3D) geometries. The efficient prediction capability of neural networks (NNs) makes them a suitable surrogate to provide…

Computational Engineering, Finance, and Science · Computer Science 2024-06-17 Junyan He , Seid Koric , Diab Abueidda , Ali Najafi , Iwona Jasiuk

If an elliptic differential operator associated with an $\mathbf{H}(\mathrm{curl})$-problem involves rough (rapidly varying) coefficients, then solutions to the corresponding $\mathbf{H}(\mathrm{curl})$-problem admit typically very low…

Numerical Analysis · Mathematics 2017-06-12 Dietmar Gallistl , Patrick Henning , Barbara Verfürth

Neural operators, which aim to approximate mappings between infinite-dimensional function spaces, have been widely applied in the simulation and prediction of physical systems. However, the limited representational capacity of network…

Machine Learning · Computer Science 2025-06-03 Jin Song , Kenji Kawaguchi , Zhenya Yan

The uncertainty in human driving behaviors leads to stop-and-go instabilities in freeway traffic. The traffic dynamics are typically modeled by the Aw-Rascle-Zhang (ARZ) Partial Differential Equation (PDE) models, in which the relaxation…

Optimization and Control · Mathematics 2025-09-29 Kaijing Lyu , Junmin Wang , Yihuai Zhang , Huan Yu

There is a recent surge of interest in designing deep architectures based on the update steps in traditional algorithms, or learning neural networks to improve and replace traditional algorithms. While traditional algorithms have certain…

Machine Learning · Computer Science 2020-06-11 Xinshi Chen , Hanjun Dai , Yu Li , Xin Gao , Le Song

Learning partial differential equations' (PDEs) solution operators is an essential problem in machine learning. However, there are several challenges for learning operators in practical applications like the irregular mesh, multiple input…

Machine Learning · Computer Science 2023-06-16 Zhongkai Hao , Zhengyi Wang , Hang Su , Chengyang Ying , Yinpeng Dong , Songming Liu , Ze Cheng , Jian Song , Jun Zhu

Stochastic partial differential equations (SPDEs) are significant tools for modeling dynamics in many areas including atmospheric sciences and physics. Neural Operators, generations of neural networks with capability of learning maps…

Machine Learning · Computer Science 2022-07-19 Peiyan Hu , Qi Meng , Bingguang Chen , Shiqi Gong , Yue Wang , Wei Chen , Rongchan Zhu , Zhi-Ming Ma , Tie-Yan Liu

This article summarizes principles and ideas from the emerging area of applying \textit{conditional computation} methods to the design of neural networks. In particular, we focus on neural networks that can dynamically activate or…

Machine Learning · Computer Science 2024-07-09 Simone Scardapane , Alessandro Baiocchi , Alessio Devoto , Valerio Marsocci , Pasquale Minervini , Jary Pomponi

Two-level domain decomposition methods are preconditioned Krylov solvers. What separates one- and two-level domain decomposition methods is the presence of a coarse space in the latter. The abstract Schwarz framework is a formalism that…

Numerical Analysis · Mathematics 2025-04-24 Nicole Spillane

Learning solution operators of partial differential equations (PDEs) from data has emerged as a promising route to fast surrogate models in multi-query scientific workflows. However, for geometric PDEs whose inputs and outputs transform…

Artificial Intelligence · Computer Science 2026-03-17 Pengcheng Cheng

In this work, we propose a novel framework to enhance the efficiency and accuracy of neural operators through self-composition, offering both theoretical guarantees and practical benefits. Inspired by iterative methods in solving numerical…

Machine Learning · Computer Science 2025-08-29 Juncai He , Xinliang Liu , Jinchao Xu

We prove rich algebraic structures of the solution space for 2-layer neural networks with quadratic activation and $L_2$ loss, trained on reasoning tasks in Abelian group (e.g., modular addition). Such a rich structure enables…

Machine Learning · Computer Science 2025-10-01 Yuandong Tian

We present an error-neural-modeling-based strategy for approximating two-dimensional curvature in the level-set method. Our main contribution is a redesigned hybrid solver [Larios-C\'ardenas and Gibou, J. Comput. Phys. (May 2022),…

Numerical Analysis · Mathematics 2022-09-29 Luis Ángel Larios-Cárdenas , Frédéric Gibou

We introduce methods for obtaining pretrained Geometric Neural Operators (GNPs) that can serve as basal foundation models for use in obtaining geometric features. These can be used within data processing pipelines for machine learning tasks…

Machine Learning · Computer Science 2025-04-18 Blaine Quackenbush , Paul J. Atzberger

Phase-field modeling is an effective but computationally expensive method for capturing the mesoscale morphological and microstructure evolution in materials. Hence, fast and generalizable surrogate models are needed to alleviate the cost…

Materials Science · Physics 2022-07-01 Vivek Oommen , Khemraj Shukla , Somdatta Goswami , Remi Dingreville , George Em Karniadakis

Neural networks have shown great potential in accelerating the solution of partial differential equations (PDEs). Recently, there has been a growing interest in introducing physics constraints into training neural PDE solvers to reduce the…

Machine Learning · Computer Science 2023-05-30 Xinquan Huang , Wenlei Shi , Qi Meng , Yue Wang , Xiaotian Gao , Jia Zhang , Tie-Yan Liu

Neural networks can emulate nonlinear physical systems with high accuracy, yet they may produce physically-inconsistent results when violating fundamental constraints. Here, we introduce a systematic way of enforcing nonlinear analytic…

Computational Physics · Physics 2021-03-10 Tom Beucler , Michael Pritchard , Stephan Rasp , Jordan Ott , Pierre Baldi , Pierre Gentine

Discrete structures are currently second-class in differentiable programming. Since functions over discrete structures lack overt derivatives, differentiable programs do not differentiate through them and limit where they can be used. For…

Programming Languages · Computer Science 2025-11-20 Joey Velez-Ginorio , Nada Amin , Konrad Kording , Steve Zdancewic

Learning complex dynamics driven by partial differential equations directly from data holds great promise for fast and accurate simulations of complex physical systems. In most cases, this problem can be formulated as an operator learning…

Machine Learning · Computer Science 2024-10-03 Nacime Bouziani , Nicolas Boullé
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