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This work proposes an extension of neural ordinary differential equations (NODEs) by introducing an additional set of ODE input parameters to NODEs. This extension allows NODEs to learn multiple dynamics specified by the input parameter…

Computational Physics · Physics 2021-11-17 Kookjin Lee , Eric J. Parish

We present a new data-driven reduced-order modeling approach to efficiently solve parametrized partial differential equations (PDEs) for many-query problems. This work is inspired by the concept of implicit neural representation (INR),…

Numerical Analysis · Mathematics 2023-11-30 Tianshu Wen , Kookjin Lee , Youngsoo Choi

Solving for detailed chemical kinetics remains one of the major bottlenecks for computational fluid dynamics simulations of reacting flows using a finite-rate-chemistry approach. This has motivated the use of fully connected artificial…

Computational Engineering, Finance, and Science · Computer Science 2021-10-11 Opeoluwa Owoyele , Pinaki Pal

This work presents a physics-based machine learning framework to predict and analyze oxides of nitrogen (NOx) emissions from compression-ignition engine-powered vehicles using on-board diagnostics (OBD) data as input. Accurate NOx…

Machine Learning · Computer Science 2025-03-10 Harish Panneer Selvam , Bharat Jayaprakash , Yan Li , Shashi Shekhar , William F. Northrop

Neural networks (NN) are implemented as sub-grid flame models in a large-eddy simulation of a single-injector liquid-propellant rocket engine with the aim to replace a look-up table approach. The NN training process presents an…

Fluid Dynamics · Physics 2022-01-11 Zeinab Shadram , Tuan M. Nguyen , Athanasios Sideris , William A. Sirignano

We present a scalable, data-driven simulation framework for large-scale heating, ventilation, and air conditioning (HVAC) systems that couples physics-informed neural ordinary differential equations (PINODEs) with differential-algebraic…

Machine Learning · Computer Science 2026-04-24 Hanfeng Zhai , Hongtao Qiao , Hassan Mansour , Christopher Laughman

We present a new scientific machine learning method that learns from data a computationally inexpensive surrogate model for predicting the evolution of a system governed by a time-dependent nonlinear partial differential equation (PDE), an…

Numerical Analysis · Mathematics 2022-02-28 Elizabeth Qian , Ionut-Gabriel Farcas , Karen Willcox

One of the most popular recent areas of machine learning predicates the use of neural networks augmented by information about the underlying process in the form of Partial Differential Equations (PDEs). These physics-informed neural…

Fluid Dynamics · Physics 2025-06-17 Luca Menicali , David H. Richter , Stefano Castruccio

Developing efficient and accurate algorithms for chemistry integration is a challenging task due to its strong stiffness and high dimensionality. The current work presents a deep learning-based numerical method called DeepCombustion0.0 to…

Chemical Physics · Physics 2020-12-24 Tianhan Zhang , Yaoyu Zhang , Weinan E , Yiguang Ju

Identifying accurate dynamic models is required for the simulation and control of various technical systems. In many important real-world applications, however, the two main modeling approaches often fail to meet requirements: first…

Machine Learning · Computer Science 2021-04-19 Manuel A. Roehrl , Thomas A. Runkler , Veronika Brandtstetter , Michel Tokic , Stefan Obermayer

We are interested in the approximation of partial differential equations with a data-driven approach based on the reduced basis method and machine learning. We suppose that the phenomenon of interest can be modeled by a parametrized partial…

Numerical Analysis · Computer Science 2020-06-24 Niccolò Dal Santo , Simone Deparis , Luca Pegolotti

Owing to the remarkable development of deep learning technology, there have been a series of efforts to build deep learning-based climate models. Whereas most of them utilize recurrent neural networks and/or graph neural networks, we design…

Machine Learning · Computer Science 2021-11-12 Jeehyun Hwang , Jeongwhan Choi , Hwangyong Choi , Kookjin Lee , Dongeun Lee , Noseong Park

Deep neural networks (DNN) have been used to model nonlinear relations between physical quantities. Those DNNs are embedded in physical systems described by partial differential equations (PDE) and trained by minimizing a loss function that…

Numerical Analysis · Mathematics 2020-02-26 Kailai Xu , Eric Darve

The layout optimization of the heat conduction is essential during design in engineering, especially for thermal sensible products. When the optimization algorithm iteratively evaluates different loading cases, the traditional numerical…

Machine Learning · Computer Science 2022-01-26 Hao Ma , Yang Sun , Mario Chiarelli

Deep operator network (DeepONet) has shown significant promise as surrogate models for systems governed by partial differential equations (PDEs), enabling accurate mappings between infinite-dimensional function spaces. However, when applied…

Machine Learning · Computer Science 2025-10-29 Sharmila Karumuri , Lori Graham-Brady , Somdatta Goswami

This paper presents a physics-based data-driven method to learn predictive reduced-order models (ROMs) from high-fidelity simulations, and illustrates it in the challenging context of a single-injector combustion process. The method…

Computational Physics · Physics 2020-07-14 Renee Swischuk , Boris Kramer , Cheng Huang , Karen Willcox

In this paper, we present a physics-constrained deep neural network (PCDNN) method for parameter estimation in the zero-dimensional (0D) model of the vanadium redox flow battery (VRFB). In this approach, we use deep neural networks (DNNs)…

Chemical Physics · Physics 2022-03-07 QiZhi He , Panos Stinis , Alexandre Tartakovsky

Solving parametric Partial Differential Equations (PDEs) for a broad range of parameters is a critical challenge in scientific computing. To this end, neural operators, which \textcolor{black}{predicts the PDE solution with variable PDE…

Numerical Analysis · Mathematics 2024-11-14 Weiheng Zhong , Hadi Meidani

We describe a framework that can integrate prior physical information, e.g., the presence of kinematic constraints, to support data-driven simulation in multi-body dynamics. Unlike other approaches, e.g., Fully-connected Neural Network…

Computational Engineering, Finance, and Science · Computer Science 2024-07-12 Jingquan Wang , Shu Wang , Huzaifa Mustafa Unjhawala , Jinlong Wu , Dan Negrut

Discovering hidden physical laws and identifying governing system parameters from sparse observations are central challenges in computational science and engineering. Existing data-driven methods, such as physics-informed neural networks…

Machine Learning · Computer Science 2026-04-16 Dibakar Roy Sarkar , Vijay Kag , Birupaksha Pal , Somdatta Goswami
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