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Graph neural networks (GNNs) have shown advantages in graph-based analysis tasks. However, most existing methods have the homogeneity assumption and show poor performance on heterophilic graphs, where the linked nodes have dissimilar…

Machine Learning · Computer Science 2024-04-16 Tianhao Peng , Wenjun Wu , Haitao Yuan , Zhifeng Bao , Zhao Pengrui , Xin Yu , Xuetao Lin , Yu Liang , Yanjun Pu

Graph classification is a fundamental task in domains ranging from molecular property prediction to materials design. While graph neural networks (GNNs) achieve strong performance by learning expressive representations via message passing,…

Machine Learning · Computer Science 2025-12-04 Hamed Poursiami , Shay Snyder , Guojing Cong , Thomas Potok , Maryam Parsa

Recent work in Topological Deep Learning (TDL) seeks to generalize graph learning's preeminent $message \ passing$ paradigm to more complex relational structures: simplicial complexes, cell complexes, hypergraphs, and combinations thereof.…

Machine Learning · Computer Science 2025-09-30 Jacob Hume , Pietro Liò

Scalable graph neural networks (GNNs) have emerged as a promising technique, which exhibits superior predictive performance and high running efficiency across numerous large-scale graph-based web applications. However, (i) Most scalable…

Machine Learning · Computer Science 2024-02-12 Xunkai Li , Jingyuan Ma , Zhengyu Wu , Daohan Su , Wentao Zhang , Rong-Hua Li , Guoren Wang

Following the success of deep convolutional networks in various vision and speech related tasks, researchers have started investigating generalizations of the well-known technique for graph-structured data. A recently-proposed method called…

Social and Information Networks · Computer Science 2018-09-21 John Boaz Lee , Ryan A. Rossi , Xiangnan Kong , Sungchul Kim , Eunyee Koh , Anup Rao

Graphs are widely used to encapsulate a variety of data formats, but real-world networks often involve complex node relations beyond only being pairwise. While hypergraphs and hierarchical graphs have been developed and employed to account…

Machine Learning · Computer Science 2024-02-21 Zehui Li , Xiangyu Zhao , Mingzhu Shen , Guy-Bart Stan , Pietro Liò , Yiren Zhao

Graph neural networks (GNNs) excel on homophilic graphs where connected nodes share labels, but struggle with heterophilic graphs where edges do not imply similarity. Moreover, iterative message passing limits scalability due to…

Machine Learning · Computer Science 2026-02-16 Turja Kundu , Sanjukta Bhowmick

Graphs serve as powerful tools for modeling pairwise interactions in diverse fields such as biology, material science, and social networks. However, they inherently overlook interactions involving more than two entities. Simplicial…

Algebraic Topology · Mathematics 2024-12-05 Xiang Liu , Ran Liu , Jingyan Li , Rongling Wu , Jie Wu

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…

Machine Learning · Computer Science 2025-08-11 Qin Chen , Guojie Song

We investigate node representation learning on text-attributed graphs (TAGs), where nodes are associated with text information. Although recent studies on graph neural networks (GNNs) and pretrained language models (PLMs) have exhibited…

Information Retrieval · Computer Science 2024-04-22 Peiyan Zhang , Chaozhuo Li , Liying Kang , Feiran Huang , Senzhang Wang , Xing Xie , Sunghun Kim

Neural networks are fundamental tools of modern machine learning. The standard paradigm assumes binary interactions (across feedforward linear passes) between inter-tangled units, organized in sequential layers. Generalized architectures…

Machine Learning · Computer Science 2026-03-31 Gianluca Peri , Timoteo Carletti , Duccio Fanelli , Diego Febbe

We propose an efficient framework that integrates distance-aware multi-hop message passing with dynamic topology refinement. Unlike standard GNNs that rely on shallow, fixed-hop aggregation, DRTR leverages both static preprocessing and…

Machine Learning · Computer Science 2025-12-01 Dong Liu , Yanxuan Yu

Recent advancements in large-scale pre-training have shown the potential to learn generalizable representations for downstream tasks. In the graph domain, however, capturing and transferring structural information across different graph…

Machine Learning · Computer Science 2026-02-24 Jialin Chen , Haolan Zuo , Haoyu Peter Wang , Siqi Miao , Pan Li , Rex Ying

Many real-world data, such as recommendation data and temporal graphs, can be represented as incomplete sparse tensors where most entries are unobserved. For such sparse tensors, identifying the top-k higher-order interactions that are most…

Machine Learning · Computer Science 2025-03-18 Jun-Gi Jang , Jingrui He , Andrew Margenot , Hanghang Tong

Brain graph super-resolution (SR) is an under-explored yet highly relevant task in network neuroscience. It circumvents the need for costly and time-consuming medical imaging data collection, preparation, and processing. Current SR methods…

Machine Learning · Computer Science 2024-11-06 Pragya Singh , Islem Rekik

Graph Masked Autoencoders (GMAEs) have emerged as a notable self-supervised learning approach for graph-structured data. Existing GMAE models primarily focus on reconstructing node-level information, categorizing them as single-scale GMAEs.…

Machine Learning · Computer Science 2026-03-19 Chuang Liu , Zelin Yao , Xueqi Ma , Mukun Chen , Luzhi Wang , Jia Wu , Wenbin Hu

Scalable addressing of high dimensional constrained combinatorial optimization problems is a challenge that arises in several science and engineering disciplines. Recent work introduced novel application of graph neural networks for solving…

Optimization and Control · Mathematics 2024-05-20 Nasimeh Heydaribeni , Xinrui Zhan , Ruisi Zhang , Tina Eliassi-Rad , Farinaz Koushanfar

Constructing appropriate representations of molecules lies at the core of numerous tasks such as material science, chemistry and drug designs. Recent researches abstract molecules as attributed graphs and employ graph neural networks (GNN)…

Machine Learning · Computer Science 2021-07-29 Jianwen Chen , Shuangjia Zheng , Ying Song , Jiahua Rao , Yuedong Yang

Graphs model latent variable relationships in many real-world systems, and Message Passing Neural Networks (MPNNs) are widely used to learn such structures for downstream tasks. While edge-based MPNNs effectively capture local interactions,…

Machine Learning · Computer Science 2025-11-27 Thomas Bailie , Yun Sing Koh , Karthik Mukkavilli

Research on Graph Structure Learning (GSL) provides key insights for graph-based clustering, yet current methods like Graph Neural Networks (GNNs), Graph Attention Networks (GATs), and contrastive learning often rely heavily on the original…

Machine Learning · Computer Science 2025-05-21 Jingyun Zhang , Hao Peng , Li Sun , Guanlin Wu , Chunyang Liu , Zhengtao Yu
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