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Neurons exhibit intricate geometries within their neurite networks, which play a crucial role in processes such as signaling and nutrient transport. Accurate simulation of material transport in the networks is essential for understanding…

Machine Learning · Computer Science 2025-07-16 Tsung Yeh Hsieh , Yongjie Jessica Zhang

Harnessing data to discover the underlying governing laws or equations that describe the behavior of complex physical systems can significantly advance our modeling, simulation and understanding of such systems in various science and…

Machine Learning · Computer Science 2021-11-17 Zhao Chen , Yang Liu , Hao Sun

Simulating the mechanical response of advanced materials can be done more accurately using concurrent multiscale models than with single-scale simulations. However, the computational costs stand in the way of the practical application of…

Machine Learning · Computer Science 2024-02-21 J. Storm , I. B. C. M. Rocha , F. P. van der Meer

Physics simulations have become fundamental tools to study myriad engineering systems. As physics simulations often involve simplifications, their outputs should be calibrated using real-world data. In this paper, we present a…

Computation · Statistics 2025-08-25 Naichen Shi , Hao Yan , Shenghan Guo , Raed Al Kontar

Robust physics (e.g., governing equations and laws) discovery is of great interest for many engineering fields and explainable machine learning. A critical challenge compared with general training is that the term and format of governing…

Numerical Analysis · Mathematics 2021-02-15 Zhiming Zhang , Yongming Liu

Neural surrogates and operator networks for solving partial differential equation (PDE) problems have attracted significant research interest in recent years. However, most existing approaches are limited in their ability to generalize…

Machine Learning · Computer Science 2025-09-18 Varun Kumar , Jing Bi , Cyril Ngo Ngoc , Victor Oancea , George Em Karniadakis

Learning-based surrogate models have become a practical alternative to high-fidelity CFD solvers, but their latent representations remain opaque and hinder adoption in safety-critical or regulation-bound settings. This work introduces a…

Computational Engineering, Finance, and Science · Computer Science 2025-07-23 Yeping Hu , Shusen Liu

Physics-informed neural networks (PINNs), rooted in deep learning, have emerged as a promising approach for solving partial differential equations (PDEs). By embedding the physical information described by PDEs into feedforward neural…

Machine Learning · Computer Science 2024-01-26 Yanzhi Liu , Ruifan Wu , Ying Jiang

In this book chapter we provide the definition of "Simulating Nanoscale Heat Transport", broadly regarded as modeling heat conduction beyond Fourier's law. We primarely focus on incoherent transport, which is dominated by scattering between…

Materials Science · Physics 2015-06-22 Giuseppe Romano , Jean-Philippe Peraud , Jeffrey C. Grossman

Mesh-based simulations play a key role when modeling complex physical systems that, in many disciplines across science and engineering, require the solution of parametrized time-dependent nonlinear partial differential equations (PDEs). In…

Numerical Analysis · Mathematics 2023-08-04 Nicola Rares Franco , Stefania Fresca , Filippo Tombari , Andrea Manzoni

The Physics-Constrained DeepONet (PC-DeepONet), an architecture that incorporates fundamental physics knowledge into the data-driven DeepONet model, is presented in this study. This methodology is exemplified through surrogate modeling of…

Physics-informed machine learning and inverse modeling require the solution of ill-conditioned non-convex optimization problems. First-order methods, such as SGD and ADAM, and quasi-Newton methods, such as BFGS and L-BFGS, have been applied…

Numerical Analysis · Mathematics 2021-05-18 Kailai Xu , Eric Darve

Starting from the recently proposed energy-based deviational formulation for solving the Boltzmann equation [J.-P. Peraud and N. G. Hadjiconstantinou, Phys. Rev. B 84, 2011], which provides significant computational speedup compared to…

Computational Physics · Physics 2015-06-05 Jean-Philippe Peraud , Nicolas Hadjiconstantinou

This work is directed to uncertainty quantification of homogenized effective properties for composite materials with complex, three dimensional microstructure. The uncertainties arise in the material parameters of the single constituents as…

Machine Learning · Computer Science 2021-10-27 Alexander Henkes , Ismail Caylak , Rolf Mahnken

Engineering and applied science rely on computational experiments to rigorously study physical systems. The mathematical models used to probe these systems are highly complex, and sampling-intensive studies often require prohibitively many…

Methodology · Statistics 2024-06-19 Joy N. Mueller , Khachik Sargsyan , Craig J. Daniels , Habib N. Najm

Physics-Informed Neural Networks (PINNs) integrate physical principles into machine learning, finding wide applications in various science and engineering fields. However, solving nonlinear hyperbolic partial differential equations (PDEs)…

Fluid Dynamics · Physics 2024-10-01 Jingjing Zhang , Ulisses Braga-Neto , Eduardo Gildin

Physics-informed neural networks (PINNs) have garnered significant interest for their potential in solving partial differential equations (PDEs) that govern a wide range of physical phenomena. By incorporating physical laws into the…

Machine Learning · Computer Science 2026-04-24 Jian Cheng Wong , Isaac Yin Chung Lai , Pao-Hsiung Chiu , Chin Chun Ooi , Abhishek Gupta , Yew-Soon Ong

We consider the problem of constructing surrogate operators for parameter-to-solution maps arising from parametric partial differential equations, where repeated forward model evaluations are computationally expensive. We present a…

Machine Learning · Computer Science 2026-04-02 Josephine Westermann , Benno Huber , Thomas O'Leary-Roseberry , Jakob Zech

Deep learning-based surrogate models offer a computationally efficient alternative to high-fidelity computational fluid dynamics (CFD) simulations for predicting urban wind flow. However, conventional approaches usually only yield…

Atmospheric and Oceanic Physics · Physics 2025-11-03 Reda Snaiki , Jiachen Lu , Shaopeng Li , Negin Nazarian

We propose the Factorized Fourier Neural Operator (F-FNO), a learning-based approach for simulating partial differential equations (PDEs). Starting from a recently proposed Fourier representation of flow fields, the F-FNO bridges the…

Machine Learning · Computer Science 2023-03-03 Alasdair Tran , Alexander Mathews , Lexing Xie , Cheng Soon Ong