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This article presents a graph neural network (GNN) based surrogate modeling approach for fluid-acoustic shape optimization. The GNN model transforms mesh-based simulations into a computational graph, enabling global prediction of pressure…

Fluid Dynamics · Physics 2024-12-24 Farnoosh Hadizadeh , Wrik Mallik , Rajeev K. Jaiman

Graph Neural Networks (GNN) have recently gained popularity in the forecasting domain due to their ability to model complex spatial and temporal patterns in tasks such as traffic forecasting and region-based demand forecasting. Most of…

Machine Learning · Computer Science 2023-12-08 Abishek Sriramulu , Nicolas Fourrier , Christoph Bergmeir

Graph neural networks (GNNs) are deep learning models designed specifically for graph data, and they typically rely on node features as the input to the first layer. When applying such a type of network on the graph without node features,…

Sensing the fluid flow around an arbitrary geometry entails extrapolating from the physical quantities perceived at its surface in order to reconstruct the features of the surrounding fluid. This is a challenging inverse problem, yet one…

Computational Engineering, Finance, and Science · Computer Science 2023-01-10 Gregory Duthé , Imad Abdallah , Sarah Barber , Eleni Chatzi

Graph Neural Networks (GNNs) combine node attributes over a fixed granularity of the local graph structure around a node to predict its label. However, different nodes may relate to a node-level property with a different granularity of its…

Machine Learning · Computer Science 2025-06-19 Kartik Sharma , Vineeth Rakesh , Yingtong Dou , Srijan Kumar , Mahashweta Das

In recent years, Graph Neural Networks (GNNs) have achieved remarkable success in many graph mining tasks. However, scaling them to large graphs is challenging due to the high computational and storage costs of repeated feature propagation…

Machine Learning · Computer Science 2025-04-11 Yuxuan Liang , Wentao Zhang , Zeang Sheng , Ling Yang , Quanqing Xu , Jiawei Jiang , Yunhai Tong , Bin Cui

Message passing Graph Neural Networks (GNNs) are known to be limited in expressive power by the 1-WL color-refinement test for graph isomorphism. Other more expressive models either are computationally expensive or need preprocessing to…

Machine Learning · Computer Science 2024-02-01 Mohammed Haroon Dupty , Yanfei Dong , Wee Sun Lee

We study the problem of embedding edgeless nodes such as users who newly enter the underlying network, while using graph neural networks (GNNs) widely studied for effective representation learning of graphs. Our study is motivated by the…

Social and Information Networks · Computer Science 2022-11-01 Yong-Min Shin , Cong Tran , Won-Yong Shin , Xin Cao

The simulation of microcirculatory blood flow in realistic vascular architectures poses significant challenges due to the multiscale nature of the problem and the topological complexity of capillary networks. In this work, we propose a…

Numerical Analysis · Mathematics 2025-12-12 Paolo Botta , Piermario Vitullo , Thomas Ventimiglia , Andreas Linninger , Paolo Zunino

Machine Learning surrogates for Computational Fluid Dynamics (CFD), particularly Graph Neural Networks (GNNs) and Transformers, have become a new important approach for accelerating physics simulations. However, we identify a critical…

Machine Learning · Computer Science 2026-05-05 Paul Garnier , Vincent Lannelongue , Elie Hachem

This work develops a distributed graph neural network (GNN) methodology for mesh-based modeling applications using a consistent neural message passing layer. As the name implies, the focus is on enabling scalable operations that satisfy…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-10-03 Shivam Barwey , Riccardo Balin , Bethany Lusch , Saumil Patel , Ramesh Balakrishnan , Pinaki Pal , Romit Maulik , Venkatram Vishwanath

Traditional optimization-based techniques for time-synchronized state estimation (SE) often suffer from high online computational burden, limited phasor measurement unit (PMU) coverage, and presence of non-Gaussian measurement noise.…

Systems and Control · Electrical Eng. & Systems 2025-06-05 Shiva Moshtagh , Behrouz Azimian , Mohammad Golgol , Anamitra Pal

By conceiving physical systems as 3D many-body point clouds, geometric graph neural networks (GNNs), such as SE(3)/E(3) equivalent GNNs, have showcased promising performance. In particular, their effective message-passing mechanics make…

Machine Learning · Computer Science 2024-01-30 Weitao Du , Shengchao Liu , Xuecang Zhang

This paper introduces a novel two-stream deep model based on graph convolutional network (GCN) architecture and feed-forward neural networks (FFNN) for learning the solution of nonlinear partial differential equations (PDEs). The model aims…

Machine Learning · Computer Science 2022-05-02 Onur Bilgin , Thomas Vergutz , Siamak Mehrkanoon

Graph Neural Networks (GNNs) are deep-learning architectures designed for graph-type data, where understanding relationships among individual observations is crucial. However, achieving promising GNN performance, especially on unseen data,…

Machine Learning · Computer Science 2024-05-22 Lequan Lin , Dai Shi , Andi Han , Zhiyong Wang , Junbin Gao

Graph neural networks (GNNs) have recently emerged as a promising learning paradigm in learning graph-structured data and have demonstrated wide success across various domains such as recommendation systems, social networks, and electronic…

Machine Learning · Computer Science 2023-04-25 Ruixuan Wang , Fred Lin , Daniel Moore , Sriram Sankar , Xun Jiao

While deep neural networks (DNN) have become an effective computational tool, the prediction results are often criticized by the lack of interpretability, which is essential in many real-world applications such as health informatics.…

Computer Vision and Pattern Recognition · Computer Science 2018-05-29 Mengnan Du , Ninghao Liu , Qingquan Song , Xia Hu

Physics-based deep learning frameworks have shown to be effective in accurately modeling the dynamics of complex physical systems with generalization capability across problem inputs. However, time-independent problems pose the challenge of…

Machine Learning · Computer Science 2023-03-29 Rini Jasmine Gladstone , Helia Rahmani , Vishvas Suryakumar , Hadi Meidani , Marta D'Elia , Ahmad Zareei

Recent advancements in graph learning have revolutionized the way to understand and analyze data with complex structures. Notably, Graph Neural Networks (GNNs), i.e. neural network architectures designed for learning graph representations,…

Machine Learning · Computer Science 2024-07-09 Yu Huang , Min Zhou , Menglin Yang , Zhen Wang , Muhan Zhang , Jie Wang , Hong Xie , Hao Wang , Defu Lian , Enhong Chen

In machine-learning-assisted high-throughput defect studies, a defect-aware latent representation of the supercell structure is crucial to the accurate prediction of defect properties. The performance of current graph neural network (GNN)…

Materials Science · Physics 2024-11-01 Zhenyao Fang , Qimin Yan