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Graph Neural Networks (GNNs) have established themselves as a key component in addressing diverse graph-based tasks. Despite their notable successes, GNNs remain susceptible to input perturbations in the form of adversarial attacks. This…

Machine Learning · Computer Science 2024-09-13 Moshe Eliasof , Davide Murari , Ferdia Sherry , Carola-Bibiane Schönlieb

We present Graph Neural Diffusion (GRAND) that approaches deep learning on graphs as a continuous diffusion process and treats Graph Neural Networks (GNNs) as discretisations of an underlying PDE. In our model, the layer structure and…

Simulation of fluid flows is crucial for modeling physical phenomena like meteorology, aerodynamics, and biomedicine. Classical numerical solvers often require fine spatiotemporal grids to satisfy stability, consistency, and convergence…

Machine Learning · Computer Science 2025-07-04 Mengtao Yan , Qi Wang , Haining Wang , Ruizhi Chengze , Yi Zhang , Hongsheng Liu , Zidong Wang , Fan Yu , Qi Qi , Hao Sun

Graph neural networks (GNNs) are among the most powerful tools in deep learning. They routinely solve complex problems on unstructured networks, such as node classification, graph classification, or link prediction, with high accuracy.…

Machine Learning · Computer Science 2023-08-21 Maciej Besta , Torsten Hoefler

Evolutional deep neural networks (EDNN) solve partial differential equations (PDEs) by marching the network representation of the solution fields, using the governing equations. Use of a single network to solve coupled PDEs on large domains…

Numerical Analysis · Mathematics 2024-07-18 Hadden Kim , Tamer A. Zaki

CFD-DEM is used to simulate solid-fluid systems. DEM models the motion of discrete particles while CFD models the fluid phase. Coupling both necessitates the calculation of the void fraction and the solid-fluid forces resulting in a…

Fluid Dynamics · Physics 2023-01-06 Toni El Geitani , Shahab Golshan , Bruno Blais

Due to the limited accuracy of 4D Magnetic Resonance Imaging (MRI) in identifying hemodynamics in cardiovascular diseases, the challenges in obtaining patient-specific flow boundary conditions, and the computationally demanding and…

Machine Learning · Computer Science 2025-03-25 Oscar L. Cruz-González , Valérie Deplano , Badih Ghattas

We propose a neural physics system for real-time, interactive fluid simulations. Traditional physics-based methods, while accurate, are computationally intensive and suffer from latency issues. Recent machine-learning methods reduce…

Machine Learning · Computer Science 2025-05-27 Jingxuan Xu , Hong Huang , Chuhang Zou , Manolis Savva , Yunchao Wei , Wuyang Chen

Fast and stable fluid simulations are an essential prerequisite for applications ranging from computer-generated imagery to computer-aided design in research and development. However, solving the partial differential equations of…

Machine Learning · Computer Science 2021-03-03 Nils Wandel , Michael Weinmann , Reinhard Klein

Traffic forecasting is one of the most popular spatio-temporal tasks in the field of machine learning. A prevalent approach in the field is to combine graph convolutional networks and recurrent neural networks for the spatio-temporal…

Machine Learning · Computer Science 2021-12-08 Jeongwhan Choi , Hwangyong Choi , Jeehyun Hwang , Noseong Park

The neural network method of solving differential equations is used to approximate the electric potential and corresponding electric field in the slit-well microfluidic device. The device's geometry is non-convex, making this a challenging…

Computational Physics · Physics 2020-07-29 Martin Magill , Andrew M. Nagel , Hendrick W. de Haan

Currently the state of the art network models are based or depend on Discrete Event Simulation (DES). While DES is highly accurate, it is also computationally costly and cumbersome to parallelize, making it unpractical to simulate high…

Networking and Internet Architecture · Computer Science 2023-10-19 Carlos Güemes-Palau , Miquel Ferriol Galmés , Albert Cabellos-Aparicio , Pere Barlet-Ros

This paper introduces open-source computational fluid dynamics software named open computational fluid dynamic code for scientific computation with graphics processing unit (GPU) system (OpenCFD-SCU), developed by the authors for direct…

Fluid Dynamics · Physics 2022-12-21 Guanlin Dang , Shiwei Liu , Tongbiao Guo , Junyi Duan , Xinliang Li

The rapidly advancing field of Fluid Mechanics has recently employed Deep Learning to solve various problems within that field. In that same spirit we try to perform Direct Numerical Simulation(DNS) which is one of the tasks in…

Neural and Evolutionary Computing · Computer Science 2022-05-27 Mritunjay Musale , Vaibhav Vasani

Partial differential equations (PDEs) play a dominant role in the mathematical modeling of many complex dynamical processes. Solving these PDEs often requires prohibitively high computational costs, especially when multiple evaluations must…

Machine Learning · Computer Science 2022-09-07 Muhammad I. Zafar , Jiequn Han , Xu-Hui Zhou , Heng Xiao

Finding the distribution of the velocities and pressures of a fluid by solving the Navier-Stokes equations is a principal task in the chemical, energy, and pharmaceutical industries, as well as in mechanical engineering and the design of…

Machine Learning · Computer Science 2024-07-16 Alexandr Sedykh , Maninadh Podapaka , Asel Sagingalieva , Karan Pinto , Markus Pflitsch , Alexey Melnikov

Partial differential equations (PDEs) govern nearly every physical process in science and engineering, yet solving them at scale remains prohibitively expensive. Generative AI has transformed language, vision, and protein science, but…

Machine Learning · Computer Science 2026-04-10 Yilong Dai , Shengyu Chen , Xiaowei Jia , Runlong Yu

Uncovering rationales behind predictions of graph neural networks (GNNs) has received increasing attention over the years. Existing literature mainly focus on selecting a subgraph, through combinatorial optimization, to provide faithful…

Machine Learning · Computer Science 2023-03-07 Wenqian Li , Yinchuan Li , Zhigang Li , Jianye Hao , Yan Pang

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

Graph Neural Networks (GNNs) play a crucial role in various fields. However, most existing deep graph learning frameworks assume pre-stored static graphs and do not support training on graph streams. In contrast, many real-world graphs are…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-12-01 Yuchen Zhong , Guangming Sheng , Tianzuo Qin , Minjie Wang , Quan Gan , Chuan Wu