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How can we learn effective node representations on textual graphs? Graph Neural Networks (GNNs) that use Language Models (LMs) to encode textual information of graphs achieve state-of-the-art performance in many node classification tasks.…

Physics-based models are computationally time-consuming and infeasible for real-time scenarios of urban drainage networks, and a surrogate model is needed to accelerate the online predictive modelling. Fully-connected neural networks (NNs)…

Machine Learning · Computer Science 2024-08-02 Zhiyu Zhang , Chenkaixiang Lu , Wenchong Tian , Zhenliang Liao , Zhiguo Yuan

In recent years, graph neural networks (GNNs) have shown tremendous promise in solving problems in high energy physics, materials science, and fluid dynamics. In this work, we introduce a new application for GNNs in the physical sciences:…

Instrumentation and Methods for Astrophysics · Physics 2026-02-17 Sidharth Kannan , Pooyan Goodarzi , Evangelos E. Papalexakis , Jonathan W. Richardson

Deep learning's performance has been extensively recognized recently. Graph neural networks (GNNs) are designed to deal with graph-structural data that classical deep learning does not easily manage. Since most GNNs were created using…

Machine Learning · Computer Science 2023-09-20 Zhiqian Chen , Fanglan Chen , Lei Zhang , Taoran Ji , Kaiqun Fu , Liang Zhao , Feng Chen , Lingfei Wu , Charu Aggarwal , Chang-Tien Lu

Neural approaches to program synthesis and understanding have proliferated widely in the last few years; at the same time graph based neural networks have become a promising new tool. This work aims to be the first empirical study comparing…

Software Engineering · Computer Science 2020-01-28 Austin P. Wright , Herbert Wiklicky

Nowadays, Computational Fluid Dynamics (CFD) is a fundamental tool for industrial design. However, the computational cost of doing such simulations is expensive and can be detrimental for real-world use cases where many simulations are…

Fluid Dynamics · Physics 2022-12-02 Eduardo Vital Brasil

In this paper we present a new strategy to model the subgrid-scale scalar flux in a three-dimensional turbulent incompressible flow using physics-informed neural networks (NNs). When trained from direct numerical simulation (DNS) data,…

Fluid Dynamics · Physics 2021-03-03 Hugo Frezat , Guillaume Balarac , Julien Le Sommer , Ronan Fablet , Redouane Lguensat

Graph Neural Networks (GNNs) are proposed without considering the agnostic distribution shifts between training and testing graphs, inducing the degeneration of the generalization ability of GNNs on Out-Of-Distribution (OOD) settings. The…

Machine Learning · Computer Science 2024-03-12 Shaohua Fan , Xiao Wang , Chuan Shi , Peng Cui , Bai Wang

Training graph neural networks on large datasets has long been a challenge. Traditional approaches include efficiently representing the whole graph in-memory, designing parameter efficient and sampling-based models, and graph partitioning…

Machine Learning · Computer Science 2024-11-19 Dmytro Lopushanskyy , Borun Shi

Graph Neural Networks (GNNs) are a framework for graph representation learning, where a model learns to generate low dimensional node embeddings that encapsulate structural and feature-related information. GNNs are usually trained in an…

Machine Learning · Computer Science 2020-12-15 Davide Buffelli , Fabio Vandin

Although graph neural networks (GNNs) have made great progress recently on learning from graph-structured data in practice, their theoretical guarantee on generalizability remains elusive in the literature. In this paper, we provide a…

Machine Learning · Computer Science 2020-06-26 Shuai Zhang , Meng Wang , Sijia Liu , Pin-Yu Chen , Jinjun Xiong

The integration of Graph Neural Networks (GNNs) and Neural Ordinary and Partial Differential Equations has been extensively studied in recent years. GNN architectures powered by neural differential equations allow us to reason about their…

Machine Learning · Computer Science 2024-06-18 Moshe Eliasof , Eldad Haber , Eran Treister

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

Numerical simulation of multi-phase fluid dynamics in porous media is critical for many energy and environmental applications in Earth's subsurface. Data-driven surrogate modeling provides computationally inexpensive alternatives to…

Computational Physics · Physics 2024-04-16 Jiamin Jiang , Bo Guo

Graph Neural Networks (GNNs) are a promising deep learning approach for circumventing many real-world problems on graph-structured data. However, these models usually have at least one of four fundamental limitations: over-smoothing,…

Machine Learning · Computer Science 2022-10-03 Xun Liu , Alex Hay-Man Ng , Fangyuan Lei , Yikuan Zhang , Zhengmin Li

Graph Neural Networks (GNNs) aim to extend deep learning techniques to graph data and have achieved significant progress in graph analysis tasks (e.g., node classification) in recent years. However, similar to other deep neural networks…

Human-Computer Interaction · Computer Science 2022-04-08 Zhihua Jin , Yong Wang , Qianwen Wang , Yao Ming , Tengfei Ma , Huamin Qu

Graph Neural Networks (GNNs) have become the standard approach for learning and reasoning over relational data, leveraging the message-passing mechanism that iteratively propagates node embeddings through graph structures. While GNNs have…

Machine Learning · Computer Science 2025-01-14 Xiaoyu Li , Yingyu Liang , Zhenmei Shi , Zhao Song , Wei Wang , Jiahao Zhang

The use of simulated virtual environments to train deep convolutional neural networks (CNN) is a currently active practice to reduce the (real)data-hungriness of the deep CNN models, especially in application domains in which large scale…

Computer Vision and Pattern Recognition · Computer Science 2016-06-01 V S R Veeravasarapu , Constantin Rothkopf , Visvanathan Ramesh

Numerical simulations on fluid dynamics problems primarily rely on spatially or/and temporally discretization of the governing equation into the finite-dimensional algebraic system solved by computers. Due to complicated nature of the…

Computational Physics · Physics 2021-07-23 Luning Sun , Han Gao , Shaowu Pan , Jian-Xun Wang

Graph Convolutional Neural Networks (GCNNs) extend classical CNNs to graph data domain, such as brain networks, social networks and 3D point clouds. It is critical to identify an appropriate graph for the subsequent graph convolution.…

Machine Learning · Computer Science 2019-09-12 Jiaxiang Tang , Wei Hu , Xiang Gao , Zongming Guo