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Unlike classical artificial neural networks, which require retraining for each new set of parametric inputs, the Deep Operator Network (DeepONet), a lately introduced deep learning framework, approximates linear and nonlinear solution…

Computational Engineering, Finance, and Science · Computer Science 2024-03-25 Shashank Kushwaha , Jaewan Park , Seid Koric , Junyan He , Iwona Jasiuk , Diab Abueidda

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

Efficient chemical kinetic model inference and application in combustion are challenging due to large ODE systems and widely separated time scales. Machine learning techniques have been proposed to streamline these models, though strong…

Machine Learning · Computer Science 2025-08-27 Benjamin C. Koenig , Suyong Kim , Sili Deng

Recent advances in scientific machine learning have shed light on the modeling of pattern-forming systems. However, simulations of real patterns still incur significant computational costs, which could be alleviated by leveraging large…

Computational Engineering, Finance, and Science · Computer Science 2023-02-28 Wei Li , Martin Z. Bazant , Juner Zhu

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

The application of deep neural networks (DNNs) holds considerable promise as a substitute for the direct integration of chemical source terms in combustion simulations. However, challenges persist in ensuring high precision and…

Fluid Dynamics · Physics 2023-12-29 Han Li , Ruixin Yang , Min Zhang , Runze Mao , Zhi X. Chen

We develop a data-driven deep neural operator framework to approximate multiple output states for a diesel engine and generate real-time predictions with reasonable accuracy. As emission norms become more stringent, the need for fast and…

Signal Processing · Electrical Eng. & Systems 2025-01-16 Varun Kumar , Somdatta Goswami , Daniel J. Smith , George Em Karniadakis

Thermal issue is a major concern in 3D integrated circuit (IC) design. Thermal optimization of 3D IC often requires massive expensive PDE simulations. Neural network-based thermal prediction models can perform real-time prediction for many…

Machine Learning · Computer Science 2023-02-28 Ziyue Liu , Yixing Li , Jing Hu , Xinling Yu , Shinyu Shiau , Xin Ai , Zhiyu Zeng , Zheng Zhang

The high cost of high-resolution computational fluid/flame dynamics (CFD) has hindered its application in combustion related design, research and optimization. In this study, we propose a new framework for turbulent combustion simulation…

Fluid Dynamics · Physics 2020-03-03 Jian An , Hanyi Wang , Bing Liu , Kai Hong Luo , Fei Qin , Guo Qiang He

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

To effectively simulate the combustion of hydrocarbon-fueled supersonic engines, such as rocket-based combined cycle (RBCC) engines, a detailed mechanism for chemistry is usually required but computationally prohibitive. In order to…

Fluid Dynamics · Physics 2020-03-03 Jian An , Guo Qiang He , Kai Hong Luo , Fei Qin , Bing Liu

Accurate and efficient numerical simulation of ammonia combustion is critical for advancing ammonia-based energy systems, where turbulent flame dynamics and pollutant formation strongly affect practical applicability. However, such…

Fluid Dynamics · Physics 2025-09-26 Ke Xiao , Yangchen Xu , Han Li , Zhi X. Chen

In this work, we introduce DeepFlame, an open-source C++ platform with the capabilities of utilising machine learning algorithms and pre-trained models to solve for reactive flows. We combine the individual strengths of the computational…

Fluid Dynamics · Physics 2023-07-17 Runze Mao , Minqi Lin , Yan Zhang , Tianhan Zhang , Zhi-Qin John Xu , Zhi X. Chen

Thermal analysis is crucial in 3D-IC design due to increased power density and complex heat dissipation paths. Although operator learning frameworks such as DeepOHeat~\cite{liu2023deepoheat} have demonstrated promising preliminary results…

Machine Learning · Computer Science 2025-10-13 Xinling Yu , Ziyue Liu , Hai Li , Yixing Li , Xin Ai , Zhiyu Zeng , Ian Young , Zheng Zhang

Accurate prediction of molecular properties in complex chemical systems is crucial for accelerating material discovery and chemical innovation. However, current computational methods often struggle to capture the intricate compositional…

Chemical Physics · Physics 2025-09-24 Jinming Fan , Chao Qian , Shaodong Zhou

Prediction and control of chemical mixing are vital for many scientific areas such as subsurface reactive transport, climate modeling, combustion, epidemiology, and pharmacology. Due to the complex nature of mixing in heterogeneous and…

Machine Learning · Computer Science 2021-12-15 N. V. Jagtap , M. K. Mudunuru , K. B. Nakshatrala

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

We propose a Deep Operator Network~(DeepONet) framework to learn the dynamic response of continuous-time nonlinear control systems from data. To this end, we first construct and train a DeepONet that approximates the control system's local…

Dynamical Systems · Mathematics 2023-09-28 Guang Lin , Christian Moya , Zecheng Zhang

This paper designs an Operator Learning framework to approximate the dynamic response of synchronous generators. One can use such a framework to (i) design a neural-based generator model that can interact with a numerical simulator of the…

Machine Learning · Computer Science 2023-01-31 Christian Moya , Guang Lin , Tianqiao Zhao , Meng Yue

In the present work we compare reliability of several most widely used reduced detailed chemical kinetic schemes for hydrogen-air and hydrogen-oxygen combustible mixtures. The validation of the schemes includes detailed analysis of 0D and…

Fluid Dynamics · Physics 2013-12-13 M. F. Ivanov , A. D. Kiverin , M. A. Liberman , A. E Smygalina
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