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Graph neural networks (GNNs) is widely used to learn a powerful representation of graph-structured data. Recent work demonstrates that transferring knowledge from self-supervised tasks to downstream tasks could further improve graph…

Machine Learning · Computer Science 2021-07-21 Xueting Han , Zhenhuan Huang , Bang An , Jing Bai

Simulating dynamic physical interactions is a critical challenge across multiple scientific domains, with applications ranging from robotics to material science. For mesh-based simulations, Graph Network Simulators (GNSs) pose an efficient…

Machine Learning · Computer Science 2023-11-10 Philipp Dahlinger , Niklas Freymuth , Michael Volpp , Tai Hoang , Gerhard Neumann

Graph Neural Networks (GNNs) are popular deep learning models designed to process graph-structured data through recursive neighborhood aggregations in the message passing process. When applied to semi-supervised node classification, the…

Machine Learning · Computer Science 2025-01-13 Kevin Mancini , Islem Rekik

A graph neural network (GNN) approach is introduced in this work which enables mesh-based three-dimensional super-resolution of fluid flows. In this framework, the GNN is designed to operate not on the full mesh-based field at once, but on…

Improving the resilience of a network is a fundamental problem in network science, which protects the underlying system from natural disasters and malicious attacks. This is traditionally achieved via successive degree-preserving edge…

Machine Learning · Computer Science 2022-05-24 Shanchao Yang , Kaili Ma , Baoxiang Wang , Tianshu Yu , Hongyuan Zha

Pre-trained graph neural networks (GNNs) transfer well, but adapting them to downstream tasks remains challenging due to mismatches between pre-training objectives and task requirements. Graph prompt tuning offers a parameter-efficient…

Machine Learning · Computer Science 2026-02-06 Long D. Nguyen , Binh P. Nguyen

Message-passing graph neural networks (MPNNs) emerged as powerful tools for processing graph-structured input. However, they operate on a fixed input graph structure, ignoring potential noise and missing information. Furthermore, their…

Machine Learning · Computer Science 2024-03-27 Chendi Qian , Andrei Manolache , Kareem Ahmed , Zhe Zeng , Guy Van den Broeck , Mathias Niepert , Christopher Morris

This study aims to overcome the limitations of conventional deep-learning approaches based on convolutional neural networks in complex geometries and unstructured meshes by exploring the potential of Graph U-Nets for unsteady flow-field…

Machine Learning · Computer Science 2024-10-18 Sunwoong Yang , Ricardo Vinuesa , Namwoo Kang

We aim to solve the problem of data-driven collision-distance estimation given 3-dimensional (3D) geometries. Conventional algorithms suffer from low accuracy due to their reliance on limited representations, such as point clouds. In…

Robotics · Computer Science 2024-03-12 Minjae Song , Yeseung Kim , Min Jun Kim , Daehyung Park

Graph neural networks (GNNs) rely mainly on the message-passing paradigm to propagate node features and build interactions, and different graph learning problems require different ranges of node interactions. In this work, we explore the…

Machine Learning · Computer Science 2026-01-08 Fang Wu , Siyuan Li , Stan Z. Li

Graph Neural Networks (GNNs) have gained significant traction for simulating complex physical systems, with models like MeshGraphNet demonstrating strong performance on unstructured simulation meshes. However, these models face several…

Machine Learning · Computer Science 2024-12-23 Mohammad Amin Nabian , Chang Liu , Rishikesh Ranade , Sanjay Choudhry

Graph Neural Networks (GNNs) set the state-of-the-art in representation learning for graph-structured data. They are used in many domains, from online social networks to complex molecules. Most GNNs leverage the message-passing paradigm and…

Machine Learning · Computer Science 2025-03-06 Tuğrul Hasan Karabulut , İnci M. Baytaş

Traditional simulation of complex mechanical systems relies on numerical solvers of Partial Differential Equations (PDEs), e.g., using the Finite Element Method (FEM). The FEM solvers frequently suffer from intensive computation cost and…

Machine Learning · Computer Science 2024-09-10 Fu Lin , Jiasheng Shi , Shijie Luo , Qinpei Zhao , Weixiong Rao , Lei Chen

Message Passing Neural Networks (MPNNs) are widely used for learning on graphs, but their ability to process long-range information is limited by the phenomenon of oversquashing. This limitation has led some researchers to advocate Graph…

Machine Learning · Computer Science 2025-11-26 Yaaqov Mishayev , Yonatan Sverdlov , Tal Amir , Nadav Dym

Message-passing graph neural networks (MPNNs) have emerged as a powerful paradigm for graph-based machine learning. Despite their effectiveness, MPNNs face challenges such as under-reaching and over-squashing, where limited receptive fields…

Machine Learning · Computer Science 2024-12-03 Chendi Qian , Andrei Manolache , Christopher Morris , Mathias Niepert

In CFD, mesh smoothing methods are commonly utilized to refine the mesh quality to achieve high-precision numerical simulations. Specifically, optimization-based smoothing is used for high-quality mesh smoothing, but it incurs significant…

Computer Vision and Pattern Recognition · Computer Science 2024-04-17 Zhichao Wang , Xinhai Chen , Junjun Yan , Jie Liu

Graph Convolutional Network (GCN) with the powerful capacity to explore graph-structural data has gained noticeable success in recent years. Nonetheless, most of the existing GCN-based models suffer from the notorious over-smoothing issue,…

Machine Learning · Computer Science 2023-04-17 Zhaoliang Chen , Zhihao Wu , Zhenghong Lin , Shiping Wang , Claudia Plant , Wenzhong Guo

Data-driven modeling approaches can produce fast surrogates to study large-scale physics problems. Among them, graph neural networks (GNNs) that operate on mesh-based data are desirable because they possess inductive biases that promote…

Machine Learning · Computer Science 2023-04-04 Brian R. Bartoldson , Yeping Hu , Amar Saini , Jose Cadena , Yucheng Fu , Jie Bao , Zhijie Xu , Brenda Ng , Phan Nguyen

Graph neural networks (GNNs) model representations from networked data and allow for decentralized inference through localized communications. Existing GNN architectures often assume ideal communications and ignore potential channel…

Signal Processing · Electrical Eng. & Systems 2024-05-22 Zhan Gao , Deniz Gunduz

Graph neural networks, recently introduced into the field of fluid flow surrogate modeling, have been successfully applied to model the temporal evolution of various fluid flow systems. Existing applications, however, are mostly restricted…

Fluid Dynamics · Physics 2026-01-14 Rui Gao , Zhi Cheng , Rajeev K. Jaiman