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This paper presents a heterogeneous adaptive mesh refinement (AMR) framework for efficient simulation of moderately stiff reactive problems. This framework features an elaborate subcycling-in-time algorithm along with a specialized…

Computational Physics · Physics 2025-06-04 Yuqi Wang , Yadong Zeng , Ralf Deiterding , Jianhan Liang

Fiber reinforcement and polymer matrix respond differently to manufacturing conditions due to mismatch in coefficient of thermal expansion and matrix shrinkage during curing of thermosets. These heterogeneities generate residual stresses…

Computational Engineering, Finance, and Science · Computer Science 2026-05-04 Elham Kiyani , Amit Makarand Deshpande , Madhura Limaye , Zhiwei Gao , Zongren Zou , Sai Aditya Pradeep , Srikanth Pilla , Gang Li , Zhen Li , George Em Karniadakis

Machine learning approaches have the potential to approximate Density Functional Theory (DFT) for atomistic simulations in a computationally efficient manner, which could dramatically increase the impact of computational simulations on…

Computational Physics · Physics 2022-07-05 Joseph Musielewicz , Xiaoxiao Wang , Tian Tian , Zachary Ulissi

Uncertainty and delayed reactions in human driving behavior lead to stop-and-go traffic congestion on freeways. The freeway traffic dynamics are governed by the Aw-Rascle-Zhang (ARZ) traffic Partial Differential Equation (PDE) models with…

Optimization and Control · Mathematics 2025-09-29 Kaijing Lv , Junmin Wang , Yihuai Zhang , Huan Yu

The uncertainty in human driving behaviors leads to stop-and-go instabilities in freeway traffic. The traffic dynamics are typically modeled by the Aw-Rascle-Zhang (ARZ) Partial Differential Equation (PDE) models, in which the relaxation…

Optimization and Control · Mathematics 2025-09-29 Kaijing Lyu , Junmin Wang , Yihuai Zhang , Huan Yu

A combustion chemistry acceleration scheme is developed based on deep operator networks (DeepONets). The scheme is based on the identification of combustion reaction dynamics through a modified DeepOnet architecture such that the solutions…

Chemical Physics · Physics 2023-04-25 Anuj Kumar , Tarek Echekki

Prolonged contact between a corrosive liquid and metal alloys can cause progressive dealloying. For such liquid-metal dealloying (LMD) process, phase field models have been developed. However, the governing equations often involve coupled…

Computational Engineering, Finance, and Science · Computer Science 2025-02-06 Christophe Bonneville , Nathan Bieberdorf , Arun Hegde , Mark Asta , Habib N. Najm , Laurent Capolungo , Cosmin Safta

Simulating physical systems is essential in engineering, but analytical solutions are limited to straightforward problems. Consequently, numerical methods like the Finite Element Method (FEM) are widely used. However, the FEM becomes…

Machine Learning · Computer Science 2026-01-30 Niklas Freymuth , Philipp Dahlinger , Tobias Würth , Simon Reisch , Luise Kärger , Gerhard Neumann

Although federated learning has achieved many breakthroughs recently, the heterogeneous nature of the learning environment greatly limits its performance and hinders its real-world applications. The heterogeneous data, time-varying wireless…

Machine Learning · Computer Science 2023-02-22 Jingxin Li , Toktam Mahmoodi , Hak-Keung Lam

Deep Operator Networks (DeepONets) have emerged as a powerful surrogate modeling framework for learning solution operators in PDE-governed systems. While their use is expanding across engineering disciplines, applications in geotechnical…

Machine Learning · Computer Science 2026-03-11 Yongjin Choi , Chenying Liu , Jorge Macedo

This work proposes a new machine learning (ML)-based paradigm aiming to enhance the computational efficiency of non-equilibrium reacting flow simulations while ensuring compliance with the underlying physics. The framework combines…

Computational Physics · Physics 2023-09-25 Ivan Zanardi , Simone Venturi , Marco Panesi

Ground settlement prediction during the process of mechanized tunneling is of paramount importance and remains a challenging research topic. Typically, two paradigms are existing: a physics-driven approach utilizing process-oriented…

Computational Engineering, Finance, and Science · Computer Science 2025-08-07 Chen Xu , Ba Trung Cao , Yong Yuan , Günther Meschke

FNO and DeepONet are by far the most popular neural operator learning algorithms. FNO seems to enjoy an edge in popularity due to its ease of use, especially with high dimensional data. However, a lesser-acknowledged feature of DeepONet is…

Computational Physics · Physics 2024-01-02 Waleed Diab , Mohammed Al-Kobaisi

The self-attention mechanism (SAM) is widely used in various fields of artificial intelligence and has successfully boosted the performance of different models. However, current explanations of this mechanism are mainly based on intuitions…

Computer Vision and Pattern Recognition · Computer Science 2023-08-22 Zhongzhan Huang , Mingfu Liang , Jinghui Qin , Shanshan Zhong , Liang Lin

Fast and accurate predictions for complex physical dynamics are a significant challenge across various applications. Real-time prediction on resource-constrained hardware is even more crucial in real-world problems. The deep operator…

Machine Learning · Computer Science 2023-12-27 Jae Yong Lee , Sung Woong Cho , Hyung Ju Hwang

Neural networks have been applied to control problems, typically by combining data, differential equation residuals, and objective costs in the training loss or by incorporating auxiliary architectural components. Instead, we propose a…

Optimization and Control · Mathematics 2026-04-10 Oliver G. S. Lundqvist , Fabricio Oliveira

Design and optimal control problems are among the fundamental, ubiquitous tasks we face in science and engineering. In both cases, we aim to represent and optimize an unknown (black-box) function that associates a performance/outcome to a…

Machine Learning · Computer Science 2021-10-27 Sifan Wang , Mohamed Aziz Bhouri , Paris Perdikaris

In high-speed flow past a normal shock, the fluid temperature rises rapidly triggering downstream chemical dissociation reactions. The chemical changes lead to appreciable changes in fluid properties, and these coupled multiphysics and the…

Computational Physics · Physics 2021-10-04 Zhiping Mao , Lu Lu , Olaf Marxen , Tamer A. Zaki , George E. Karniadakis

Learning large scale nonlinear ordinary differential equation (ODE) systems from data is known to be computationally and statistically challenging. We present a framework together with the adaptive integral matching (AIM) algorithm for…

Statistics Theory · Mathematics 2017-10-27 Frederik Vissing Mikkelsen , Niels Richard Hansen

Mesh generation is essential for accurate and efficient computational fluid dynamics simulations. To resolve critical features in the flow, adaptive mesh refinement (AMR) is routinely employed in certain regions of the computational domain,…

Fluid Dynamics · Physics 2024-12-02 Yongzheng Zhu , Shiji Zhao , Yuanye Zhou , Hong Liang , Xin Bian