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Current graph neural networks (GNNs) lack generalizability with respect to scales (graph sizes, graph diameters, edge weights, etc..) when solving many graph analysis problems. Taking the perspective of synthesizing graph theory programs,…

机器学习 · 计算机科学 2020-10-27 Hao Tang , Zhiao Huang , Jiayuan Gu , Bao-Liang Lu , Hao Su

Graph neural networks (GNNs) leverage message passing mechanisms to learn the topological features of graph data. Traditional GNNs learns node features in a spatial domain unrelated to the topology, which can hardly ensure topological…

机器学习 · 计算机科学 2025-05-30 Juwei Yue , Haikuo Li , Jiawei Sheng , Xiaodong Li , Taoyu Su , Tingwen Liu , Li Guo

Graph neural networks (GNNs) have been widely used in representation learning on graphs and achieved state-of-the-art performance in tasks such as node classification and link prediction. However, most existing GNNs are designed to learn…

机器学习 · 计算机科学 2020-02-06 Seongjun Yun , Minbyul Jeong , Raehyun Kim , Jaewoo Kang , Hyunwoo J. Kim

Graph neural networks (GNNs) build on the success of deep learning models by extending them for use in graph spaces. Transfer learning has proven extremely successful for traditional deep learning problems: resulting in faster training and…

机器学习 · 计算机科学 2022-02-03 Nishai Kooverjee , Steven James , Terence van Zyl

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,…

机器学习 · 计算机科学 2022-10-03 Xun Liu , Alex Hay-Man Ng , Fangyuan Lei , Yikuan Zhang , Zhengmin Li

Graph Neural Networks (GNN) rely on graph convolutions to learn features from network data. GNNs are stable to different types of perturbations of the underlying graph, a property that they inherit from graph filters. In this paper we…

机器学习 · 计算机科学 2022-02-11 Juan Cervino , Luana Ruiz , Alejandro Ribeiro

Partial differential equations (PDEs) are widely used across the physical and computational sciences. Decades of research and engineering went into designing fast iterative solution methods. Existing solvers are general purpose, but may be…

数值分析 · 数学 2024-09-23 Jun-Ting Hsieh , Shengjia Zhao , Stephan Eismann , Lucia Mirabella , Stefano Ermon

This paper presents $\Psi$-GNN, a novel Graph Neural Network (GNN) approach for solving the ubiquitous Poisson PDE problems with mixed boundary conditions. By leveraging the Implicit Layer Theory, $\Psi$-GNN models an "infinitely" deep…

Solving partial differential equations (PDEs) is an important research means in the fields of physics, biology, and chemistry. As an approximate alternative to numerical methods, PINN has received extensive attention and played an important…

神经与进化计算 · 计算机科学 2023-03-22 Longxiang Jiang , Liyuan Wang , Xinkun Chu , Yonghao Xiao , Hao Zhang

Graph neural networks (GNNs) are emerging for machine learning research on graph-structured data. GNNs achieve state-of-the-art performance on many tasks, but they face scalability challenges when it comes to real-world applications that…

机器学习 · 计算机科学 2026-04-02 Shichang Zhang , Atefeh Sohrabizadeh , Cheng Wan , Zijie Huang , Ziniu Hu , Yewen Wang , Yingyan , Lin , Jason Cong , Yizhou Sun

Graph Neural Networks (GNNs), a generalization of deep neural networks on graph data have been widely used in various domains, ranging from drug discovery to recommender systems. However, GNNs on such applications are limited when there are…

机器学习 · 计算机科学 2021-11-09 Debmalya Mandal , Sourav Medya , Brian Uzzi , Charu Aggarwal

Graphs are used widely to model complex systems, and detecting anomalies in a graph is an important task in the analysis of complex systems. Graph anomalies are patterns in a graph that do not conform to normal patterns expected of the…

机器学习 · 计算机科学 2022-10-05 Hwan Kim , Byung Suk Lee , Won-Yong Shin , Sungsu Lim

Physics-informed neural networks (PINNs) have lately received significant attention as a representative deep learning-based technique for solving partial differential equations (PDEs). Most fully connected network-based PINNs use automatic…

机器学习 · 计算机科学 2024-09-30 Zixue Xiang , Wei Peng , Wen Yao

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…

机器学习 · 计算机科学 2020-12-15 Davide Buffelli , Fabio Vandin

Despite much research, Graph Neural Networks (GNNs) still do not display the favorable scaling properties of other deep neural networks such as Convolutional Neural Networks and Transformers. Previous work has identified issues such as…

机器学习 · 计算机科学 2023-12-19 Ameen Ali , Hakan Cevikalp , Lior Wolf

Graph Neural Networks (GNNs) have become a central tool for learning on graph-structured data, yet their applicability to real-world systems remains limited by key challenges such as scalability, temporality, directionality, data…

机器学习 · 计算机科学 2025-10-28 Emanuele Rossi

Recently, graph neural networks (GNNs) have proved to be suitable in tasks on unstructured data. Particularly in tasks as community detection, node classification, and link prediction. However, most GNN models still operate with static…

机器学习 · 计算机科学 2019-06-07 Darwin Saire Pilco , Adín Ramírez Rivera

Graph neural networks (GNNs) are widely applied in graph data modeling. However, existing GNNs are often trained in a task-driven manner that fails to fully capture the intrinsic nature of the graph structure, resulting in sub-optimal node…

机器学习 · 计算机科学 2024-07-17 Zhenhua Huang , Kunhao Li , Shaojie Wang , Zhaohong Jia , Wentao Zhu , Sharad Mehrotra

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…

机器学习 · 计算机科学 2020-06-26 Shuai Zhang , Meng Wang , Sijia Liu , Pin-Yu Chen , Jinjun Xiong

We propose a physics-constrained convolutional neural network (PC-CNN) to solve two types of inverse problems in partial differential equations (PDEs), which are nonlinear and vary both in space and time. In the first inverse problem, we…

流体动力学 · 物理学 2024-12-03 Daniel Kelshaw , Luca Magri