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In this work, we introduce a novel neural operator, the Solute Transport Operator Network (STONet), to efficiently model contaminant transport in micro-cracked porous media. STONet's model architecture is specifically designed for this…

Machine Learning · Computer Science 2025-07-02 Ehsan Haghighat , Mohammad Hesan Adeli , S Mohammad Mousavi , Ruben Juanes

This work proposes a hybrid modeling framework based on recurrent neural networks (RNNs) and the finite element (FE) method to approximate model discrepancies in time dependent, multi-fidelity problems, and use the trained hybrid models to…

Computational Engineering, Finance, and Science · Computer Science 2024-02-20 Moritz von Tresckow , Herbert De Gersem , Dimitrios Loukrezis

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

A pore network modeling (PNM) framework for the simulation of transport of charged species, such as ions, in porous media is presented. It includes the Nernst-Planck (NP) equations for each charged species in the electrolytic solution in…

Computational Physics · Physics 2020-05-20 Mehrez Agnaou , Mohammad Amin Sadeghi , Thomas George Tranter , Jeff Gostick

The rapid expansion of electric vehicles has intensified the need for accurate and efficient diagnosis of lithium-ion batteries. Parameter identification of electrochemical battery models is widely recognized as a powerful method for…

Machine Learning · Computer Science 2025-10-29 Hojin Cheon , Hyeongseok Seo , Jihun Jeon , Wooju Lee , Dohyun Jeong , Hongseok Kim

The numerical simulation and optimization of technical systems described by partial differential equations is expensive, especially in multi-query scenarios in which the underlying equations have to be solved for different parameters. A…

Numerical Analysis · Mathematics 2025-04-09 Franziska Griese , Fabian Hoppe , Alexander Rüttgers , Philipp Knechtges

Partial differential equation (PDE)-constrained optimization arises in many scientific and engineering domains, such as energy systems, fluid dynamics and material design. In these problems, the decision variables (e.g., control inputs or…

Machine Learning · Computer Science 2026-01-21 Yusuf Guven , Vincenzo Di Vito , Ferdinando Fioretto

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…

This paper develops a surrogate model refinement approach for the simulation of dynamical systems and the solution of optimization problems governed by dynamical systems in which surrogates replace expensive-to-compute state- and…

Optimization and Control · Mathematics 2025-09-08 Jonathan R. Cangelosi , Matthias Heinkenschloss

This work aims to improve fuel chamber injectors' performance in turbofan engines, thus implying improved performance and reduction of pollutants. This requires the development of models that allow real-time prediction and improvement of…

Machine Learning · Computer Science 2023-06-21 León Mata , Rodrigo Abadía-Heredia , Manuel Lopez-Martin , José M. Pérez , Soledad Le Clainche

This work presents a non-intrusive surrogate modeling scheme based on machine learning technology for predictive modeling of complex systems, described by parametrized time-dependent PDEs. For these problems, typical finite element…

Numerical Analysis · Mathematics 2021-04-26 Stefanos Nikolopoulos , Ioannis Kalogeris , Vissarion Papadopoulos

Deep Learning research is advancing at a fantastic rate, and there is much to gain from transferring this knowledge to older fields like Computational Fluid Dynamics in practical engineering contexts. This work compares state-of-the-art…

Computational Physics · Physics 2020-10-01 Pierre Jacquier , Azzedine Abdedou , Vincent Delmas , Azzeddine Soulaimani

This paper is concerned with the finite element discretization of the data driven approach according to arXiv:1510.04232 for the solution of PDEs with a material law arising from measurement data. To simplify the setting, we focus on a…

Numerical Analysis · Mathematics 2023-03-13 Christian Meyer , Annika Müller

The spatiotemporal resolution of Partial Differential Equations (PDEs) plays important roles in the mathematical description of the world's physical phenomena. In general, scientists and engineers solve PDEs numerically by the use of…

Artificial Intelligence · Computer Science 2023-06-29 Lucas Meyer , Marc Schouler , Robert Alexander Caulk , Alejandro Ribés , Bruno Raffin

The potential of neural networks (NN) in engineering is rooted in their capacity to understand intricate patterns and complex systems, leveraging their universal nonlinear approximation capabilities and high expressivity. Meanwhile,…

Computational Engineering, Finance, and Science · Computer Science 2025-01-23 Mohammed Abda , Elsa Piollet , Christopher Blake , Frédérick P. Gosselin

Accurate yet efficient surrogate models are essential for large-scale simulations of partial differential equations (PDEs), particularly for uncertainty quantification (UQ) tasks that demand hundreds or thousands of evaluations. We develop…

Neural surrogates for partial differential equations (PDEs) have become popular due to their potential to quickly simulate physics. With a few exceptions, neural surrogates generally treat the forward evolution of time-dependent PDEs as a…

Machine Learning · Computer Science 2025-04-18 Anthony Zhou , Amir Barati Farimani

Species transport models typically combine partial differential equations (PDEs) with relations from hindered transport theory to quantify electromigrative, convective, and diffusive transport through complex nanoporous systems; however,…

Machine Learning · Computer Science 2023-12-06 Danyal Rehman , John H. Lienhard

The term `surrogate modeling' in computational science and engineering refers to the development of computationally efficient approximations for expensive simulations, such as those arising from numerical solution of partial differential…

Numerical Analysis · Mathematics 2022-08-12 Maarten V. de Hoop , Daniel Zhengyu Huang , Elizabeth Qian , Andrew M. Stuart

We derive a mixture theory-based mathematical model of the degradation of a poroelastic solid immersed in a fluid bath. The evolution of the solid's mechanical and transport properties are also modeled. The inspiration for the model is the…

Biological Physics · Physics 2019-12-16 Priyanka Patki , Francesco Costanzo