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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

Accurately modeling and inferring solutions to time-dependent partial differential equations (PDEs) over extended horizons remains a core challenge in scientific machine learning. Traditional full rollout (FR) methods, which predict entire…

Machine Learning · Computer Science 2026-03-18 Luis Mandl , Dibyajyoti Nayak , Tim Ricken , Somdatta Goswami

A common strategy to train deep neural networks (DNNs) is to use very large architectures and to train them until they (almost) achieve zero training error. Empirically observed good generalization performance on test data, even in the…

Machine Learning · Statistics 2021-07-26 Nicole Mücke , Ingo Steinwart

A computed approximation of the solution operator to a system of partial differential equations (PDEs) is needed in various areas of science and engineering. Neural operators have been shown to be quite effective at predicting these…

Machine Learning · Computer Science 2024-12-02 Zan Ahmad , Shiyi Chen , Minglang Yin , Avisha Kumar , Nicolas Charon , Natalia Trayanova , Mauro Maggioni

Numerically solving ordinary differential equations (ODEs) is a naturally serial process and as a result the vast majority of ODE solver software are serial. In this manuscript we developed a set of parallelized ODE solvers using…

Numerical Analysis · Mathematics 2022-09-13 Utkarsh , Chris Elrod , Yingbo Ma , Christopher Rackauckas

Recent years have witnessed a growth in mathematics for deep learning--which seeks a deeper understanding of the concepts of deep learning with mathematics and explores how to make it more robust--and deep learning for mathematics, where…

Machine Learning · Computer Science 2023-10-31 Derick Nganyu Tanyu , Jianfeng Ning , Tom Freudenberg , Nick Heilenkötter , Andreas Rademacher , Uwe Iben , Peter Maass

We present $\phi-$DeepONet, a physics-informed neural operator designed to learn mappings between function spaces that may contain discontinuities or exhibit non-smooth behavior. Classical neural operators are based on the universal…

Computational Engineering, Finance, and Science · Computer Science 2026-04-10 Sumanta Roy , Stephen T. Castonguay , Pratanu Roy , Michael D. Shields

In the pursuit of accurate experimental and computational data while minimizing effort, there is a constant need for high-fidelity results. However, achieving such results often requires significant computational resources. To address this…

Machine Learning · Computer Science 2023-11-08 Amirhossein Mollaali , Izzet Sahin , Iqrar Raza , Christian Moya , Guillermo Paniagua , Guang Lin

Modeling the recovery of interdependent critical infrastructure is a key component of quantifying and optimizing societal resilience to disruptive events. However, simulating the recovery of large-scale interdependent systems under random…

Machine Learning · Computer Science 2022-06-23 Somayajulu L. N. Dhulipala , Ryan C. Hruska

Modern machine learning systems based on neural networks have shown great success in learning complex data patterns while being able to make good predictions on unseen data points. However, the limited interpretability of these systems…

Machine Learning · Computer Science 2020-07-22 Sarath Shekkizhar , Antonio Ortega

Reliability analysis is a formidable task, particularly in systems with a large number of stochastic parameters. Conventional methods for quantifying reliability often rely on extensive simulations or experimental data, which can be costly…

Numerical Analysis · Mathematics 2024-09-10 N Navaneeth , Tushar , Souvik Chakraborty

In this paper, we present an initial attempt to learn evolution PDEs from data. Inspired by the latest development of neural network designs in deep learning, we propose a new feed-forward deep network, called PDE-Net, to fulfill two…

Numerical Analysis · Mathematics 2018-01-03 Zichao Long , Yiping Lu , Xianzhong Ma , Bin Dong

This short, self-contained article seeks to introduce and survey continuous-time deep learning approaches that are based on neural ordinary differential equations (neural ODEs). It primarily targets readers familiar with ordinary and…

Machine Learning · Computer Science 2024-01-09 Lars Ruthotto

Recent work suggests that certain neural network architectures -- particularly recurrent neural networks (RNNs) and implicit neural networks (INNs) -- are capable of logical extrapolation. When trained on easy instances of a task, these…

Neural networks have the ability to serve as universal function approximators, but they are not interpretable and don't generalize well outside of their training region. Both of these issues are problematic when trying to apply standard…

Machine Learning · Computer Science 2023-08-21 Colby Fronk , Linda Petzold

This is a methodological guide to the use of deep neural networks in the processing of pulsed dipolar spectroscopy (PDS) data encountered in structural biology, organic photovoltaics, photosynthesis research, and other domains featuring…

The evolution of dynamical systems is generically governed by nonlinear partial differential equations (PDEs), whose solution, in a simulation framework, requires vast amounts of computational resources. In this work, we present a novel…

Machine Learning · Computer Science 2023-09-01 Michael Rotman , Amit Dekel , Ran Ilan Ber , Lior Wolf , Yaron Oz

Neural networks are one tool for approximating non-linear differential equations used in scientific computing tasks such as surrogate modeling, real-time predictions, and optimal control. PDE foundation models utilize neural networks to…

Machine Learning · Computer Science 2025-02-11 Elisa Negrini , Yuxuan Liu , Liu Yang , Stanley J. Osher , Hayden Schaeffer

Partial differential equations (PDEs) play a crucial role in studying a vast number of problems in science and engineering. Numerically solving nonlinear and/or high-dimensional PDEs is often a challenging task. Inspired by the traditional…

Numerical Analysis · Mathematics 2022-01-11 Yihao Hu , Tong Zhao , Shixin Xu , Zhiliang Xu , Lizhen Lin

Neural surrogates for stiff differential-algebraic equations (DAEs) face two barriers: soft-constraint methods leave algebraic residuals that stiffness amplifies into errors, and hard-constraint methods require trajectory data from stiff…

Machine Learning · Computer Science 2026-04-28 Huy Hoang Le , Haoguang Wang , Christian Moya , Marcos Netto , Guang Lin