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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…

机器学习 · 计算机科学 2024-06-18 Moshe Eliasof , Eldad Haber , Eran Treister

Graph Neural Networks (GNNs) have emerged as fundamental tools for a wide range of prediction tasks on graph-structured data. Recent studies have drawn analogies between GNN feature propagation and diffusion processes, which can be…

机器学习 · 计算机科学 2024-10-10 Dai Shi , Lequan Lin , Andi Han , Zhiyong Wang , Yi Guo , Junbin Gao

Dynamic graphs provide a flexible data abstraction for modelling many sorts of real-world systems, such as transport, trade, and social networks. Graph neural networks (GNNs) are powerful tools allowing for different kinds of prediction and…

机器学习 · 统计学 2025-03-27 Ed Davis , Ian Gallagher , Daniel John Lawson , Patrick Rubin-Delanchy

Graph Neural Networks (GNNs) traditionally employ a message-passing mechanism that resembles diffusion over undirected graphs, which often leads to homogenization of node features and reduced discriminative power in tasks such as node…

机器学习 · 计算机科学 2025-03-04 Seong Ho Pahng , Sahand Hormoz

Graph neural networks (GNNs) are designed to process data associated with graphs. They are finding an increasing range of applications; however, as with other modern machine learning techniques, their theoretical understanding is limited.…

无序系统与神经网络 · 物理学 2026-02-23 O. Duranthon , L. Zdeborová

Heterogeneous molecular entities and their interactions, commonly depicted as a network, are crucial for advancing our systems-level understanding of biology. With recent advancements in high-throughput data generation and a significant…

定量方法 · 定量生物学 2026-03-18 Kishan KC , Rui Li , Paribesh Regmi , Anne R. Haake

Graph Neural Networks (GNNs) are deep learning models that take graph data as inputs, and they are applied to various tasks such as traffic prediction and molecular property prediction. However, owing to the complexity of the GNNs, it has…

机器学习 · 计算机科学 2021-11-02 Tetsu Kasanishi , Xueting Wang , Toshihiko Yamasaki

Multivariate time series forecasting is a challenging task because the data involves a mixture of long- and short-term patterns, with dynamic spatio-temporal dependencies among variables. Existing graph neural networks (GNN) typically model…

机器学习 · 计算机科学 2021-12-08 Zhuoling Li , Gaowei Zhang , Lingyu Xu , Jie Yu

Neural diffusion on graphs is a novel class of graph neural networks that has attracted increasing attention recently. The capability of graph neural partial differential equations (PDEs) in addressing common hurdles of graph neural…

机器学习 · 计算机科学 2023-05-12 Yang Song , Qiyu Kang , Sijie Wang , Zhao Kai , Wee Peng Tay

Graph Neural Networks (GNNs) have shown remarkable effectiveness in capturing abundant information in graph-structured data. However, the black-box nature of GNNs hinders users from understanding and trusting the models, thus leading to…

机器学习 · 计算机科学 2022-07-25 Jiaxuan Xie , Yezi Liu , Yanning Shen

Graph Neural Networks (GNNs) have emerged as a prominent research topic in the field of machine learning. Existing GNN models are commonly categorized into two types: spectral GNNs, which are designed based on polynomial graph filters, and…

机器学习 · 计算机科学 2023-09-01 Guanyu Cui , Zhewei Wei

This paper explores the applications and challenges of graph neural networks (GNNs) in processing complex graph data brought about by the rapid development of the Internet. Given the heterogeneity and redundancy problems that graph data…

机器学习 · 计算机科学 2024-10-24 Jianjun Wei , Yue Liu , Xin Huang , Xin Zhang , Wenyi Liu , Xu Yan

Predicting links in sparse, continuously evolving networks is a central challenge in network science. Conventional heuristic methods and deep learning models, including Graph Neural Networks (GNNs), are typically designed for static graphs…

社会与信息网络 · 计算机科学 2026-02-17 Nafiseh Sadat Sajadi , Behnam Bahrak , Mahdi Jafari Siavoshani

Graph Neural Networks (GNNs) are a popular technique for modelling graph-structured data and computing node-level representations via aggregation of information from the neighborhood of each node. However, this aggregation implies an…

机器学习 · 计算机科学 2022-08-30 Ameya Daigavane , Gagan Madan , Aditya Sinha , Abhradeep Guha Thakurta , Gaurav Aggarwal , Prateek Jain

Graph neural networks (GNNs) are typically applied to static graphs that are assumed to be known upfront. This static input structure is often informed purely by insight of the machine learning practitioner, and might not be optimal for the…

Recent advances in neural algorithmic reasoning with graph neural networks (GNNs) are propped up by the notion of algorithmic alignment. Broadly, a neural network will be better at learning to execute a reasoning task (in terms of sample…

机器学习 · 计算机科学 2022-10-12 Andrew Dudzik , Petar Veličković

Graph Neural Networks (GNNs) often struggle in preserving high-frequency components of nodal signals when dealing with directed graphs. Such components are crucial for modeling flow dynamics, without which a traditional GNN tends to treat a…

机器学习 · 计算机科学 2025-06-09 Haoyang Jiang , Jindong Wang , Xingquan Zhu , Yi He

Graph neural networks (GNNs) model nonlinear representations in graph data with applications in distributed agent coordination, control, and planning among others. Current GNN architectures assume ideal scenarios and ignore link…

信号处理 · 电气工程与系统科学 2021-09-01 Zhan Gao , Elvin Isufi , Alejandro Ribeiro

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…

机器学习 · 计算机科学 2023-12-08 Abishek Sriramulu , Nicolas Fourrier , Christoph Bergmeir

We propose an end-to-end framework based on a Graph Neural Network (GNN) to balance the power flows in energy grids. The balancing is framed as a supervised vertex regression task, where the GNN is trained to predict the current and power…

机器学习 · 计算机科学 2022-08-15 Jonas Berg Hansen , Stian Normann Anfinsen , Filippo Maria Bianchi