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We present a computationally efficient approach to solve the time-dependent Kohn-Sham equations in real-time using higher-order finite-element spatial discretization, applicable to both pseudopotential and all-electron calculations. To this…

Computational Physics · Physics 2019-10-02 Bikash Kanungo , Vikram Gavini

In the present work, a hyperelastic constitutive model based on neural networks is proposed which fulfills all common constitutive conditions by construction, and in particular, is applicable to compressible material behavior. Using…

Computational Engineering, Finance, and Science · Computer Science 2023-07-07 Lennart Linden , Dominik K. Klein , Karl A. Kalina , Jörg Brummund , Oliver Weeger , Markus Kästner

A finite element discretization is developed for the Cai-Hu model, describing the formation of biological networks. The model consists of a non linear elliptic equation for the pressure $p$ and a non linear reaction-diffusion equation for…

Numerical Analysis · Mathematics 2025-03-28 Clarissa Astuto , Daniele Boffi , Fabio Credali

We present neural network-based constitutive models for hyperelastic geometrically exact beams. The proposed models are physics-augmented, i.e., formulated to fulfill important mechanical conditions by construction, which improves accuracy…

Computational Engineering, Finance, and Science · Computer Science 2024-12-20 Jasper O. Schommartz , Dominik K. Klein , Juan C. Alzate Cobo , Oliver Weeger

Data-driven constitutive modeling with neural networks has received increased interest in recent years due to its ability to easily incorporate physical and mechanistic constraints and to overcome the challenging and time-consuming task of…

Computational Engineering, Finance, and Science · Computer Science 2023-10-06 Jan N. Fuhg , Reese E. Jones , Nikolaos Bouklas

We present a methodology combining neural networks with physical principle constraints in the form of partial differential equations (PDEs). The approach allows to train neural networks while respecting the PDEs as a strong constraint in…

Numerical Analysis · Mathematics 2021-09-06 Sebastian K. Mitusch , Simon W. Funke , Miroslav Kuchta

In this paper we propose a method to generate suitably refined finite element meshes using neural networks. As a model problem we consider a linear elasticity problem on a planar domain (possibly with holes) having a polygonal boundary. We…

Numerical Analysis · Mathematics 2022-03-16 Chiu Ling Chan , Felix Scholz , Thomas Takacs

Real-time simulation of elastic structures is essential in many applications, from computer-guided surgical interventions to interactive design in mechanical engineering. The Finite Element Method is often used as the numerical method of…

Machine Learning · Computer Science 2021-09-21 Alban Odot , Ryadh Haferssas , Stéphane Cotin

In the present work, a machine learning based constitutive model for electro-mechanically coupled material behavior at finite deformations is proposed. Using different sets of invariants as inputs, an internal energy density is formulated…

Computational Engineering, Finance, and Science · Computer Science 2022-08-30 Dominik K. Klein , Rogelio Ortigosa , Jesús Martínez-Frutos , Oliver Weeger

Traditional computational methods, such as the finite element analysis, have provided valuable insights into uncovering the underlying mechanisms of brain physical behaviors. However, precise predictions of brain physics require effective…

Machine Learning · Computer Science 2023-10-18 Jixin Hou , Nicholas Filla , Xianyan Chen , Mir Jalil Razavi , Tianming Liu , Xianqiao Wang

We describe and analyze a hybrid finite element/neural network method for predicting solutions of partial differential equations. The methodology is designed for obtaining fine scale fluctuations from neural networks in a local manner. The…

Numerical Analysis · Mathematics 2026-02-24 Uladzislau Kapustsin , Utku Kaya , Johannes Pfefferer , Thomas Richter

Discrete-time modeling of acoustic, mechanical and electrical systems is a prominent topic in the musical signal processing literature. Such models are mostly derived by discretizing a mathematical model, given in terms of ordinary or…

We propose and analyze computationally a new fictitious domain method, based on higher order space-time finite element discretizations, for the simulation of the nonstationary, incompressible Navier-Stokes equations on evolving domains. The…

Numerical Analysis · Mathematics 2022-06-22 Mathias Anselmann , Markus Bause

We propose a computational framework, Hetero-EUCLID, for segmentation and parameter identification to characterize the full hyperelastic behavior of all constituents of a heterogeneous material. In this work, we leverage the Bayesian-EUCLID…

Computational Engineering, Finance, and Science · Computer Science 2026-01-19 Kanhaiya Lal Chaurasiya , Saurav Dutta , Siddhant Kumar , Akshay Joshi

A classic approach for solving differential equations with neural networks builds upon neural forms, which employ the differential equation with a discretisation of the solution domain. Making use of neural forms for time-dependent…

Neural and Evolutionary Computing · Computer Science 2022-09-02 Toni Schneidereit , Michael Breuß

In the present work, the applicability of physics-augmented neural network (PANN) constitutive models for complex electro-elastic finite element analysis is demonstrated. For the investigations, PANN models for electro-elastic material…

Computational Engineering, Finance, and Science · Computer Science 2024-02-13 Dominik K. Klein , Rogelio Ortigosa , Jesús Martínez-Frutos , Oliver Weeger

Neural networks have recently been employed as material discretizations within adjoint optimization frameworks for inverse problems and topology optimization. While advantageous regularization effects and better optima have been found for…

Machine Learning · Computer Science 2024-07-26 Leon Herrmann , Ole Sigmund , Viola Muning Li , Christian Vogl , Stefan Kollmannsberger

This paper develops a comprehensive mathematical framework for energy-based modeling of physical systems, with particular emphasis on preserving fundamental structural properties throughout the modeling and discretization process. The…

Numerical Analysis · Mathematics 2025-12-11 M. H. M Rashid

Constitutive models play a crucial role in materials science as they describe the behavior of the materials in mathematical forms. Over the last few decades, the rapid development of manufacturing technologies have led to the discovery of…

Materials Science · Physics 2024-10-17 Xinxin Wu , Yin Zhang , Sheng Mao

Training deep neural networks (DNNs) can be difficult due to the occurrence of vanishing/exploding gradients during weight optimization. To avoid this problem, we propose a class of DNNs stemming from the time discretization of Hamiltonian…

Machine Learning · Computer Science 2021-04-28 Clara L. Galimberti , Liang Xu , Giancarlo Ferrari Trecate
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