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Graph Neural Networks (GNNs) are routinely used in molecular physics, social sciences, and economics to model many-body interactions in graph-like systems. However, GNNs are inherently local and can suffer from information flow bottlenecks.…

Deep learning methods for graphs achieve remarkable performance on many node-level and graph-level prediction tasks. However, despite the proliferation of the methods and their success, prevailing Graph Neural Networks (GNNs) neglect…

机器学习 · 计算机科学 2020-11-10 Emily Alsentzer , Samuel G. Finlayson , Michelle M. Li , Marinka Zitnik

Higher-order interactions (HOIs) are ubiquitous in real-world complex systems and applications. Investigation of deep learning for HOIs, thus, has become a valuable agenda for the data mining and machine learning communities. As networks of…

机器学习 · 计算机科学 2024-07-26 Sunwoo Kim , Soo Yong Lee , Yue Gao , Alessia Antelmi , Mirko Polato , Kijung Shin

Heterogeneous graphs (HGs) are common in real-world scenarios and often exhibit heterophily. However, most existing studies focus on either heterogeneity or heterophily in isolation, overlooking the prevalence of heterophilic HGs in…

机器学习 · 计算机科学 2025-08-11 Qin Chen , Guojie Song

Graph Neural Networks (GNNs) are proficient in graph representation learning and achieve promising performance on versatile tasks such as node classification and link prediction. Usually, a comprehensive hyperparameter tuning is essential…

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

Deep graph models have achieved great success in network representation learning. However, their focus on pairwise relationships restricts their ability to learn pervasive higher-order interactions in real-world systems, which can be…

机器学习 · 计算机科学 2025-09-30 Fan Li , Xiaoyang Wang , Wenjie Zhang , Ying Zhang , Xuemin Lin

From social networks to protein complexes to disease genomes to visual data, hypergraphs are everywhere. However, the scope of research studying deep learning on hypergraphs is still quite sparse and nascent, as there has not yet existed an…

机器学习 · 计算机科学 2019-10-08 Josh Payne

State-of-the-art parametric and non-parametric style transfer approaches are prone to either distorted local style patterns due to global statistics alignment, or unpleasing artifacts resulting from patch mismatching. In this paper, we…

计算机视觉与模式识别 · 计算机科学 2023-02-14 Yongcheng Jing , Yining Mao , Yiding Yang , Yibing Zhan , Mingli Song , Xinchao Wang , Dacheng Tao

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…

机器学习 · 计算机科学 2025-03-06 Tuğrul Hasan Karabulut , İnci M. Baytaş

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

The popularity of deep learning techniques renewed the interest in neural architectures able to process complex structures that can be represented using graphs, inspired by Graph Neural Networks (GNNs). We focus our attention on the…

机器学习 · 计算机科学 2021-09-02 Matteo Tiezzi , Giuseppe Marra , Stefano Melacci , Marco Maggini

Graph Neural Network (GNN), with the main idea of encoding graph structure information of graphs by propagation and aggregation, has developed rapidly. It achieved excellent performance in representation learning of multiple types of graphs…

机器学习 · 计算机科学 2024-07-04 Yushan Zhu , Wen Zhang , Yajing Xu , Zhen Yao , Mingyang Chen , Huajun Chen

Although hypergraph neural networks (HGNNs) have emerged as a powerful framework for analyzing complex datasets, their practical performance often remains limited. On one hand, existing networks typically employ a single type of attention…

机器学习 · 计算机科学 2025-11-14 Murong Yang , Shihui Ying , Yue Gao , Xin-Jian Xu

Spatio-temporal processes often exhibit highly heterogeneous and non-intuitive responses to localized disruptions, limiting the effectiveness of conventional message passing approaches in modeling local heterogeneity. We reformulate…

机器学习 · 计算机科学 2026-04-21 Abeer Mostafa , Raneen Younis , Zahra Ahmadi

Graph neural networks (GNNs) have drawn increasing attention in recent years and achieved remarkable performance in many graph-based tasks, especially in semi-supervised learning on graphs. However, most existing GNNs are based on the…

机器学习 · 计算机科学 2024-01-24 Li Zhou , Wenyu Chen , Dingyi Zeng , Shaohuan Cheng , Wanlong Liu , Malu Zhang , Hong Qu

City-scale logistics routing has become increasingly challenging as metropolitan road networks grow to tens of millions of edges and traffic conditions evolve rapidly under high-volume mobility demands. Conventional centralized routing…

系统与控制 · 电气工程与系统科学 2025-12-23 Zihan Han , Lingran Meng , Jingwei Zhang

Heterogeneous graphs have attracted a lot of research interests recently due to the success for representing complex real-world systems. However, existing methods have two pain points in embedding them into low-dimensional spaces: the…

机器学习 · 计算机科学 2024-06-18 Qijie Bai , Changli Nie , Haiwei Zhang , Zhicheng Dou , Xiaojie Yuan

An emerging trend in deep learning research focuses on the applications of graph neural networks (GNNs) for mesh-based continuum mechanics simulations. Most of these learning frameworks operate on graphs wherein each edge connects two…

流体动力学 · 物理学 2024-10-08 Rui Gao , Indu Kant Deo , Rajeev K. Jaiman

Hypergraph Convolutional Neural Networks (HGCNNs) have demonstrated their potential in modeling high-order relations preserved in graph-structured data. However, most existing convolution filters are localized and determined by the…

机器学习 · 计算机科学 2022-04-15 Jiying Zhang , Yuzhao Chen , Xi Xiao , Runiu Lu , Shu-Tao Xia

Diffusion generative models have emerged as a powerful framework for addressing problems in structural biology and structure-based drug design. These models operate directly on 3D molecular structures. Due to the unfavorable scaling of…

生物大分子 · 定量生物学 2024-05-10 Ian Dunn , David Ryan Koes