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Many scientific and engineering processes produce spatially unstructured data. However, most data-driven models require a feature matrix that enforces both a set number and order of features for each sample. They thus cannot be easily…

Machine Learning · Computer Science 2021-09-30 Francis Ogoke , Kazem Meidani , Amirreza Hashemi , Amir Barati Farimani

Mesh-based simulation using Graph Neural Networks (GNNs) has been recognized as a promising approach for modeling fluid dynamics. However, the mesh refinement techniques which allocate finer resolution to regions with steep gradients can…

Machine Learning · Computer Science 2025-11-18 Sangwoo Seo , Hyunsung Kim , Jiwan Kim , Chanyoung Park

Modeling and simulation of complex fluid flows with dynamics that span multiple spatio-temporal scales is a fundamental challenge in many scientific and engineering domains. Full-scale resolving simulations for systems such as highly…

Machine Learning · Computer Science 2025-02-13 Han Gao , Sebastian Kaltenbach , Petros Koumoutsakos

This study proposes a new discrete neural operator for surrogate modeling of transient Darcy flow fields in heterogeneous porous media with random parameters. The new method integrates temporal encoding, operator learning and UNet to…

Numerical Analysis · Mathematics 2025-12-04 Zhenglong Chen , Zhao Zhang , Xia Yan , Jiayu Zhai , Piyang Liu , Kai Zhang

In this paper, we propose Continuous Graph Flow, a generative continuous flow based method that aims to model complex distributions of graph-structured data. Once learned, the model can be applied to an arbitrary graph, defining a…

Machine Learning · Computer Science 2019-10-01 Zhiwei Deng , Megha Nawhal , Lili Meng , Greg Mori

Surrogate modeling is a viable solution for applications involving repetitive evaluations of expensive computational fluid dynamics models, such as uncertainty quantification and inverse problems. This study proposes a multi-layer…

Fluid Dynamics · Physics 2024-06-24 Gurpreet S. Hora , Marco G. Giometto

This work presents a novel methodology for analysis and control of nonlinear fluid systems using neural networks. The approach is demonstrated on four different study cases being the Lorenz system, a modified version of the…

Fluid Dynamics · Physics 2023-08-28 Tarcísio Déda , William Wolf , Scott Dawson

Traffic forecasting is a core element of intelligent traffic monitoring system. Approaches based on graph neural networks have been widely used in this task to effectively capture spatial and temporal dependencies of road networks. However,…

Machine Learning · Computer Science 2022-03-10 Yaobin Xu , Weitang Liu , Zhongyi Jiang , Zixuan Xu , Tingyun Mao , Lili Chen , Mingwei Zhou

We present a graph neural network (GNN) based surrogate framework for molecular dynamics simulations that directly predicts atomic displacements and learns the underlying evolution operator of an atomistic system. Unlike conventional…

Materials Science · Physics 2025-12-29 Judah Immanuel , Avik Mahata , Aniruddha Maiti

This paper describes a study based on computational fluid dynamics (CFD) and deep neural networks that focusing on predicting the flow field in differently distorted U-shaped pipes. The main motivation of this work was to get an insight…

Machine Learning · Computer Science 2020-10-02 Gergely Hajgató , Bálint Gyires-Tóth , György Paál

We study generative modeling of graphs with recurring subgraph motifs. We propose Flowette, a continuous flow matching framework that employs a graph neural network-based transformer to learn a velocity field over graph representations with…

Machine Learning · Computer Science 2026-05-19 Asiri Wijesinghe , Sevvandi Kandanaarachchi , Daniel M. Steinberg , Cheng Soon Ong

Time-evolving traffic flow forecasting are playing a vital role in intelligent transportation systems and smart cities. However, the dynamic traffic flow forecasting is a highly nonlinear problem with complex temporal-spatial dependencies.…

Machine Learning · Computer Science 2025-08-05 Zhenan Lin , Yuni Lai , Wai Lun Lo , Richard Tai-Chiu Hsung , Harris Sik-Ho Tsang , Xiaoyu Xue , Kai Zhou , Yulin Zhu

Reservoir simulations are computationally expensive in the well control and well placement optimization. Generally, numerous simulation runs (realizations) are needed in order to achieve the optimal well locations. In this paper, we propose…

Machine Learning · Computer Science 2022-03-23 Haoyu Tang , Wennan Long

Neural forecasting of spatiotemporal time series drives both research and industrial innovation in several relevant application domains. Graph neural networks (GNNs) are often the core component of the forecasting architecture. However, in…

Machine Learning · Computer Science 2023-02-21 Andrea Cini , Ivan Marisca , Filippo Maria Bianchi , Cesare Alippi

In this paper, we propose a proof-of-concept Graph Neural Network model that can successfully predict network flow-level traffic (NetFlow) by accurately modelling the graph structure and the connection features. We use sliding-windows to…

Networking and Internet Architecture · Computer Science 2026-04-24 Georgios Anyfantis , Pere Barlet-Ros

The quantification of uncertainty on fluid flow in porous media is often hampered by multi-scale heterogeneity and insufficient site characterization. Monte-Carlo simulation (MCS), which runs numerical simulations for a large number of…

Machine Learning · Computer Science 2020-10-16 Hyung Jun Yang , Timothy Yeo , Jaewoo An

Reliable evaluations of geotechnical hazards like landslides and debris flow require accurate simulation of granular flow dynamics. Traditional numerical methods can simulate the complex behaviors of such flows that involve solid-like to…

Geophysics · Physics 2023-11-14 Yongjin Choi , Krishna Kumar

In computational fluid dynamics, there is an inevitable trade off between accuracy and computational cost. In this work, a novel multi-fidelity deep generative model is introduced for the surrogate modeling of high-fidelity turbulent flow…

Computational Physics · Physics 2021-01-12 Nicholas Geneva , Nicholas Zabaras

Traffic forecasting is important for the success of intelligent transportation systems. Deep learning models, including convolution neural networks and recurrent neural networks, have been extensively applied in traffic forecasting problems…

Machine Learning · Computer Science 2022-07-08 Weiwei Jiang , Jiayun Luo

The simulation of complex physical systems using a discretized mesh is a cornerstone of applied mechanics, but traditional numerical solvers are often computationally prohibitive for many-query tasks. While Graph Neural Networks (GNNs) have…

Machine Learning · Computer Science 2025-09-24 Kangzheng Liu , Leixin Ma