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This study develops and validates neural network frameworks with physics-based constraints for surrogate modeling of rarefied gas dynamics across different levels of complexity. As a baseline, we first examine the BGK kinetic relaxation…

Fluid Dynamics · Physics 2025-09-09 Ehsan Roohi , Ahmad Shoja-Sani , Bijan Goshayeshi , Ahmad Peyvan

While data-driven methods offer significant promise for modeling complex materials, they often face challenges in generalizing across diverse physical scenarios and maintaining physical consistency. To address these limitations, we propose…

Graphics · Computer Science 2025-10-27 Xueguang Xie , Shu Yan , Shiwen Jia , Siyu Yang , Aimin Hao , Yang Gao , Peng Yu

Since the earliest stages of human civilization, advances in technology have been tightly linked to our ability to understand and predict the mechanical behavior of materials. In recent years, this challenge has increasingly been framed…

Numerical Analysis · Mathematics 2026-03-30 Francesco Regazzoni

We study the nucleation dynamics of a model solid state transformation and the criterion for microstructure selection using a molecular dynamics (MD) simulation. Our simulations show a range of microstructures depending on the depth of…

Materials Science · Physics 2008-03-01 Jayee Bhattacharya , Arya Paul , Surajit Sengupta , Madan Rao

Neural networks have emerged as powerful surrogates for solving partial differential equations (PDEs), offering significant computational speedups over traditional methods. However, these models suffer from a critical limitation: error…

Machine Learning · Computer Science 2025-12-29 Xinquan Huang , Paris Perdikaris

We present an approach for the data-driven modeling of nonlinear viscoelastic materials at small strains which is based on physics-augmented neural networks (NNs) and requires only stress and strain paths for training. The model is built on…

Computational Engineering, Finance, and Science · Computer Science 2024-01-26 Max Rosenkranz , Karl A. Kalina , Jörg Brummund , WaiChing Sun , Markus Kästner

Phase-field simulations provide mechanistic descriptions of microstructure evolution, but repeated high-fidelity integration over long horizons and broad parameter spaces remains computationally expensive. We present PFNet, a…

Materials Science · Physics 2026-05-11 Jie Xiong , Yue Wu , Xuewei Zhou , Peishuo Zhao , Jiaming Zhu

Neural networks have been applied to tackle many-body electron correlations for small molecules and physical models in recent years. Here we propose a new architecture that extends molecular neural networks with the inclusion of periodic…

Chemical Physics · Physics 2023-01-11 Xiang Li , Zhe Li , Ji Chen

We present a general variational framework for the training of freeform nonlinearities in layered computational architectures subject to some slope constraints. The regularization that we add to the traditional training loss penalizes the…

Machine Learning · Statistics 2025-03-31 Michael Unser , Alexis Goujon , Stanislas Ducotterd

This work presents a novel physics-informed deep learning based super-resolution framework to reconstruct high-resolution deformation fields from low-resolution counterparts, obtained from coarse mesh simulations or experiments. We leverage…

Machine Learning · Computer Science 2022-11-24 Rajat Arora

Recently, physics informed neural networks have successfully been applied to a broad variety of problems in applied mathematics and engineering. The principle idea is to use a neural network as a global ansatz function to partial…

Machine Learning · Computer Science 2022-03-28 Alexander Henkes , Henning Wessels , Rolf Mahnken

This paper proposes a physics-informed learning framework for a class of recurrent neural networks tailored to large-scale and networked systems. The approach aims to learn control-oriented models that preserve the structural and stability…

Systems and Control · Electrical Eng. & Systems 2026-03-27 Daniele Ravasio , Claudia Sbardi , Marcello Farina , Andrea Ballarino

We propose a physics-augmented neural network (PANN) framework for finite strain incompressible viscoelasticity within the generalized standard materials theory. The formulation is based on the multiplicative decomposition of the…

Computational Engineering, Finance, and Science · Computer Science 2025-11-06 Karl A. Kalina , Jörg Brummund , Markus Kästner

This study introduces a physics-based machine learning framework for modeling both brittle and ductile fractures. Unlike physics-informed neural networks, which solve partial differential equations by embedding physical laws as soft…

Numerical Analysis · Mathematics 2025-02-14 Fadi Aldakheel , Elsayed S. Elsayed , Yousef Heider , Oliver Weeger

Deformations of conventional solids are described via elasticity, a classical field theory whose form is constrained by translational and rotational symmetries. However, flexible metamaterials often contain an additional approximate…

Soft Condensed Matter · Physics 2022-02-02 Michael Czajkowski , Corentin Coulais , Martin van Hecke , D. Zeb Rocklin

Deep neural networks (DNN) have shown great capacity of modeling a dynamical system; nevertheless, they usually do not obey physics constraints such as conservation laws. This paper proposes a new learning framework named ConCerNet to…

Machine Learning · Computer Science 2023-07-20 Wang Zhang , Tsui-Wei Weng , Subhro Das , Alexandre Megretski , Luca Daniel , Lam M. Nguyen

We present a novel physics-informed deep learning framework for solving steady-state incompressible flow on multiple sets of irregular geometries by incorporating two main elements: using a point-cloud based neural network to capture…

Fluid Dynamics · Physics 2022-10-28 Ali Kashefi , Tapan Mukerji

We solve the ground state of the deuteron using a variational neural network ansatz for the wave function in momentum space. This ansatz provides a flexible representation of both the $S$ and the $D$ states, with relative errors in the…

Nuclear Theory · Physics 2024-04-19 J Rozalén Sarmiento , J W T Keeble , A Rios

In this paper, we study the dynamics of gradient descent in learning neural networks for classification problems. Unlike in existing works, we consider the linearly non-separable case where the training data of different classes lie in…

Machine Learning · Computer Science 2020-12-11 Ziang Long , Penghang Yin , Jack Xin

The calibration of solid constitutive models with full-field experimental data is a long-standing challenge, especially in materials which undergo large deformation. In this paper, we propose a physics-informed deep-learning framework for…

Machine Learning · Computer Science 2022-04-01 Craig M. Hamel , Kevin N. Long , Sharlotte L. B. Kramer