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Dynamic interactions between entities are prevalent in domains like social platforms, financial systems, healthcare, and e-commerce. These interactions can be effectively represented as time-evolving graphs, where predicting future…

Machine Learning · Computer Science 2026-01-21 Sidharth Agarwal , Tanishq Dubey , Shubham Gupta , Srikanta Bedathur

We propose a novel deep learning based surrogate model for solving high-dimensional uncertainty quantification and uncertainty propagation problems. The proposed deep learning architecture is developed by integrating the well-known U-net…

Machine Learning · Statistics 2021-11-10 Sai Krishna Mendu , Souvik Chakraborty

Despite the popularity of Convolutional Neural Networks (CNN), the problem of uncertainty quantification (UQ) of CNN has been largely overlooked. Lack of efficient UQ tools severely limits the application of CNN in certain areas, such as…

Machine Learning · Computer Science 2026-04-15 Hongfei Du , Emre Barut , Fang Jin

In this study, we propose a graph neural network (GNN) model for efficiently predicting the flow behavior of non-Newtonian fluids with free surface dynamics. The numerical analysis of non-Newtonian fluids presents significant challenges, as…

Fluid Dynamics · Physics 2025-09-30 Hyo-Jin Kim , Jaekwang Kim , Hyung-Jun Park

A model based on a convolutional neural network (CNN) is designed to reconstruct the three-dimensional turbulent flows beneath a free surface using surface measurements, including the surface elevation and surface velocity. Trained on…

Fluid Dynamics · Physics 2023-04-12 Anqing Xuan , Lian Shen

The Trapped Gyro-Landau Fluid (TGLF) model provides fast, accurate predictions of turbulent transport in tokamaks, but whole device simulations requiring thousands of evaluations remain computationally expensive. Neural network (NN)…

Rapid urbanization and growing urban populations worldwide present significant challenges for cities, including increased traffic congestion and air pollution. Effective strategies are needed to manage traffic volumes and reduce emissions.…

Computational Engineering, Finance, and Science · Computer Science 2025-02-18 Elena Natterer , Roman Engelhardt , Sebastian Hörl , Klaus Bogenberger

During the COVID-19 crisis, mechanistic models have guided evidence-based decision making. However, time-critical decisions in a dynamical environment limit the time available to gather supporting evidence. We address this bottleneck by…

Machine Learning · Computer Science 2026-01-15 Agatha Schmidt , Henrik Zunker , Alexander Heinlein , Martin J. Kühn

This work explores a dynamics-informed Temporal Fusion Transformer (TFT) as a data-driven surrogate for computationally intensive Earth system simulations. Focusing on multivariate time series describing global ocean transport, we…

Machine Learning · Computer Science 2026-05-21 Adeline Hillier , Jennifer Sleeman , Jay Brett , Caroline Tang , Jenelle Millison , Anand Gnanadesikan

This article presents an original methodology for the prediction of steady turbulent aerodynamic fields. Due to the important computational cost of high-fidelity aerodynamic simulations, a surrogate model is employed to cope with the…

Fluid Dynamics · Physics 2019-12-05 Romain Dupuis , Jean-Christophe Jouhaud , Pierre Sagaut

Despite the progress in high performance computing, Computational Fluid Dynamics (CFD) simulations are still computationally expensive for many practical engineering applications such as simulating large computational domains and highly…

Fluid Dynamics · Physics 2017-10-26 Botros N Hanna , Nam T. Dinh , Robert W. Youngblood , Igor A. Bolotnov

In multi-objective design tasks, the computational cost increases rapidly when high-fidelity simulations are used to evaluate objective functions. Surrogate models help mitigate this cost by approximating the simulation output, simplifying…

Applications · Statistics 2025-06-03 Omer F. Erdem , David P. Broughton , Josef Svoboda , Chengkun Huang , Majdi I. Radaideh

In recent years, surrogate models based on deep neural networks (DNN) have been widely used to solve partial differential equations, which were traditionally handled by means of numerical simulations. This kind of surrogate models, however,…

Numerical Analysis · Mathematics 2023-10-25 Weiming Ding , Haoxiang Huang , Tzu Jung Lee , Yingjie Liu , Vigor Yang

This paper presents a neural network--enhanced surrogate modeling approach for diffusion problems with spatially varying random field coefficients. The method builds on numerical homogenization, which compresses fine-scale coefficients into…

Numerical Analysis · Mathematics 2025-09-17 Fabian Kröpfl , Daniel Peterseim , Elisabeth Ullmann

High-fidelity numerical simulation of subsurface flow is computationally intensive, especially for many-query tasks such as uncertainty quantification and data assimilation. Deep learning (DL) surrogates can significantly accelerate forward…

Machine Learning · Computer Science 2026-04-15 Jiale Liu , Nanzhe Wang

Data-driven surrogate modeling has surged in capability in recent years with the emergence of graph neural networks (GNNs), which can operate directly on mesh-based representations of data. The goal of this work is to introduce an…

Machine Learning · Computer Science 2024-10-25 Shivam Barwey , Hojin Kim , Romit Maulik

Simulation of multiphase flow in porous media is crucial for the effective management of subsurface energy and environment related activities. The numerical simulators used for modeling such processes rely on spatial and temporal…

Computational Physics · Physics 2022-05-25 Bicheng Yan , Dylan Robert Harp , Rajesh J. Pawar

Computational fluid dynamics (CFD) provides high-fidelity simulations of fluid flows but remains computationally expensive for many-query applications. In recent years deep learning (DL) has been used to construct data-driven fluid-dynamic…

Machine Learning · Computer Science 2026-04-13 David Ramos , Lucas Lacasa , Fermín Gutiérrez , Eusebio Valero , Gonzalo Rubio

This study presents a deep neural network (DNN) framework that accelerates Direct Simulation Monte Carlo (DSMC) computations for rarefied-gas flows, while maintaining high physical fidelity. First, a fully connected deep neural network is…

Computational Physics · Physics 2025-07-01 Ehsan Roohi , Ahmad Shoja-sani

Multivariate time series (MTS) forecasting is an essential problem in many fields. Accurate forecasting results can effectively help decision-making. To date, many MTS forecasting methods have been proposed and widely applied. However,…

Machine Learning · Computer Science 2021-12-16 Ziheng Duan , Haoyan Xu , Yida Huang , Jie Feng , Yueyang Wang