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Whilst the Universal Approximation Theorem guarantees the existence of approximations to Sobolev functions -- the natural function spaces for PDEs -- by Neural Networks (NNs) of sufficient size, low-regularity solutions may lead to poor…

Numerical Analysis · Mathematics 2024-05-24 Jamie M. Taylor , David Pardo , Judit Muñoz-Matute

Neural ordinary differential equations (NODEs) are an effective approach for data-driven modeling of dynamical systems arising from simulations and experiments. One of the major shortcomings of NODEs, especially when coupled with explicit…

Numerical Analysis · Mathematics 2025-12-30 Allen Alvarez Loya , Daniel A. Serino , J. W. Burby , Qi Tang

Neural networks are a commonly used approach to replace physical models with computationally cheap surrogates. Parametric uncertainty quantification can be included in training, assuming that an accurate prior distribution of the model…

Machine Learning · Computer Science 2026-03-12 Heikki Haario , Zhi-Song Liu , Martin Simon , Hendrik Weichel

Many complex physical systems admit natural decomposition into an exactly solvable component and a perturbative correction. Rather than training neural networks to learn complete trajectories from scratch, we introduce Neural Network…

Computational Physics · Physics 2025-12-02 Zhenhao Chen , Mutian Shen , Boris Fain , Zohar Nussinov

Implicit neural representations (INRs) are the subject of extensive research, particularly in their application to modeling complex signals by mapping spatial and temporal coordinates to corresponding values. When handling videos, mapping…

Computer Vision and Pattern Recognition · Computer Science 2025-06-27 Taiga Hayami , Kakeru Koizumi , Hiroshi Watanabe

Accurate simulations of the oceans are crucial in understanding the Earth system. Despite their efficiency, simulations at lower resolutions must rely on various uncertain parameterizations to account for unresolved processes. However,…

In this work, a hybrid physics-based data-driven surrogate model for the microscale analysis of heterogeneous material is investigated. The proposed model benefits from the physics-based knowledge contained in the constitutive models used…

Materials Science · Physics 2024-04-30 M. A. Maia , I. B. C. M. Rocha , D. Kovačević , F. P. van der Meer

Neural PDE surrogates are often deployed in data-limited or partially observed regimes where downstream decisions depend on calibrated uncertainty in addition to low prediction error. Existing approaches obtain uncertainty through ensemble…

Machine Learning · Computer Science 2026-02-12 Carlos Stein Brito

We present implicit displacement fields, a novel representation for detailed 3D geometry. Inspired by a classic surface deformation technique, displacement mapping, our method represents a complex surface as a smooth base surface plus a…

Computer Vision and Pattern Recognition · Computer Science 2022-02-03 Wang Yifan , Lukas Rahmann , Olga Sorkine-Hornung

Reliable multiscale models of thrombosis require platelet-scale fidelity at organ-scale cost, a gap that scientific machine learning has the potential to narrow. We train a DeepONet surrogate on platelet dynamics generated with LAMMPS for…

Fluid Dynamics · Physics 2025-06-26 Marco Laudato

Crash simulations play an essential role in improving vehicle safety, design optimization, and injury risk estimation. Unfortunately, numerical solutions of such problems using state-of-the-art high-fidelity models require significant…

Machine Learning · Computer Science 2024-02-16 Jonas Kneifl , Jörg Fehr , Steven L. Brunton , J. Nathan Kutz

Linear recurrent neural networks enable powerful long-range sequence modeling with constant memory usage and time-per-token during inference. These architectures hold promise for streaming applications at the edge, but deployment in…

Machine Learning · Computer Science 2025-08-14 Alessandro Pierro , Steven Abreu , Jonathan Timcheck , Philipp Stratmann , Andreas Wild , Sumit Bam Shrestha

We consider the point evaluation of the solution to interface problems with geometric uncertainties, where the uncertainty in the obstacle is described by a high-dimensional parameter $\boldsymbol{y}\in[-1,1]^d$, $d\in\mathbb{N}$. We focus…

Numerical Analysis · Mathematics 2021-01-19 Laura Scarabosio

The growing use of composite materials in engineering applications has accelerated the demand for computational methods to accurately predict their complex behavior. Multiscale modeling based on computational homogenization is a potentially…

Numerical Analysis · Mathematics 2024-10-18 N. Kovács , M. A. Maia , I. B. C. M. Rocha , C. Furtado , P. P. Camanho , F. P. van der Meer

Determining the proper level of details to develop and solve physical models is usually difficult when one encounters new engineering problems. Such difficulty comes from how to balance the time (simulation cost) and accuracy for the…

Artificial Intelligence · Computer Science 2022-02-03 Randi Wang , Morad Behandish

We present a graph neural network (GNN) based surrogate framework for molecular dynamics simulations that directly predicts atomic displacements and learns the underlying evolution operator of an atomistic system. Unlike conventional…

Materials Science · Physics 2025-12-29 Judah Immanuel , Avik Mahata , Aniruddha Maiti

A surrogate-based topology optimisation algorithm for linear elastic structures under parametric loads and boundary conditions is proposed. Instead of learning the parametric solution of the state (and adjoint) problems or the optimisation…

Numerical Analysis · Mathematics 2025-11-04 Matteo Giacomini , Antonio Huerta

In comparison to classical shallow representation learning techniques, deep neural networks have achieved superior performance in nearly every application benchmark. But despite their clear empirical advantages, it is still not well…

Machine Learning · Computer Science 2022-01-11 Calvin Murdock , George Cazenavette , Simon Lucey

We recently showed in [1] the superiority of certain structured coding matrices ensembles (such as partial row-orthogonal) for sparse superposition codes when compared with purely random matrices with i.i.d. entries, both…

Information Theory · Computer Science 2022-07-12 YuHao Liu , Teng Fu , Jean Barbier , TianQi Hou

Many real-world systems are modelled using complex ordinary differential equations (ODEs). However, the dimensionality of these systems can make them challenging to analyze. Dimensionality reduction techniques like Proper Orthogonal…

Computational Engineering, Finance, and Science · Computer Science 2025-02-26 Abhishek Ajayakumar , Soumyendu Raha