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Mesh-based graph neural networks (GNNs) have become effective surrogates for PDE simulations, yet their deep message passing incurs high cost and over-smoothing on large, long-range meshes; hierarchical GNNs shorten propagation paths but…

Machine Learning · Computer Science 2025-09-16 Bo Lei , Victor M. Castillo , Yeping Hu

Heterogeneous graph neural networks (HGNNs) have powerful capability to embed rich structural and semantic information of a heterogeneous graph into node representations. Existing HGNNs inherit many mechanisms from graph neural networks…

Machine Learning · Computer Science 2023-09-04 Xiaocheng Yang , Mingyu Yan , Shirui Pan , Xiaochun Ye , Dongrui Fan

Hyperedge prediction is crucial in hypergraph analysis for understanding complex multi-entity interactions in various web-based applications, including social networks and e-commerce systems. Traditional methods often face difficulties in…

Information Retrieval · Computer Science 2024-11-20 Shilin Qu , Weiqing Wang , Yuan-Fang Li , Quoc Viet Hung Nguyen , Hongzhi Yin

In this work, we introduce a novel evaluation framework for generative models of graphs, emphasizing the importance of model-generated graph overlap (Chanpuriya et al., 2021) to ensure both accuracy and edge-diversity. We delineate a…

Machine Learning · Computer Science 2023-12-07 Sudhanshu Chanpuriya , Cameron Musco , Konstantinos Sotiropoulos , Charalampos Tsourakakis

Not only with the large host memory for supporting large scale graph processing, GPU-accelerated heterogeneous architecture can also provide a great potential for high-performance computing. However, few existing heterogeneous systems can…

Distributed, Parallel, and Cluster Computing · Computer Science 2018-06-05 Xianliang Li

Accurately predicting stock market movements remains a formidable challenge due to the inherent volatility and complex interdependencies among stocks. Although multi-scale Graph Neural Networks (GNNs) hold potential for modeling these…

Machine Learning · Computer Science 2025-11-04 Xiaosha Xue , Peibo Duan , Zhipeng Liu , Qi Chu , Changsheng Zhang , Bin zhang

Graphs are ubiquitous real-world data structures, and generative models that approximate distributions over graphs and derive new samples from them have significant importance. Among the known challenges in graph generation tasks,…

Machine Learning · Computer Science 2019-10-04 Wataru Kawai , Yusuke Mukuta , Tatsuya Harada

Hypergraph, which allows each hyperedge to encompass an arbitrary number of nodes, is a powerful tool for modeling multi-entity interactions. Hyperedge prediction is a fundamental task that aims to predict future hyperedges or identify…

Social and Information Networks · Computer Science 2025-03-13 Zhenyu Deng , Tao Zhou , Yilin Bi

Graph neural networks (GNNs) have been used extensively for addressing problems in drug design and discovery. Both ligand and target molecules are represented as graphs with node and edge features encoding information about atomic elements…

Machine Learning · Computer Science 2021-10-14 Dhananjay Bhaskar , Jackson D. Grady , Michael A. Perlmutter , Smita Krishnaswamy

We propose a generative model of temporally-evolving hypergraphs in which hyperedges form via noisy copying of previous hyperedges. Our proposed model reproduces several stylized facts from many empirical hypergraphs, is learnable from…

Social and Information Networks · Computer Science 2025-08-20 Xie He , Philip S. Chodrow , Peter J. Mucha

Subgraph GNNs enhance message-passing GNNs expressivity by representing graphs as sets of subgraphs, demonstrating impressive performance across various tasks. However, their scalability is hindered by the need to process large numbers of…

Machine Learning · Computer Science 2025-06-02 Guy Bar-Shalom , Yam Eitan , Fabrizio Frasca , Haggai Maron

Hypergraphs provide a natural framework to model higher-order interactions in scientific, social, and biological systems. Hypergraph neural networks (HGNNs) aim to learn from such data, yet it remains unclear which higher-order structures…

Graph representation learning for hypergraphs can be used to extract patterns among higher-order interactions that are critically important in many real world problems. Current approaches designed for hypergraphs, however, are unable to…

Machine Learning · Computer Science 2019-11-11 Ruochi Zhang , Yuesong Zou , Jian Ma

Graph representation learning has made major strides over the past decade. However, in many relational domains, the input data are not suited for simple graph representations as the relationships between entities go beyond pairwise…

Machine Learning · Computer Science 2021-01-20 Balasubramaniam Srinivasan , Da Zheng , George Karypis

Graph convolutional network (GCN) based approaches have achieved significant progress for solving complex, graph-structured problems. GCNs incorporate the graph structure information and the node (or edge) features through message passing…

Machine Learning · Computer Science 2021-05-04 Saurav Manchanda , Da Zheng , George Karypis

Graph structure learning is a core problem in graph-based machine learning, essential for uncovering latent relationships and ensuring model interpretability. However, most existing approaches are ill-suited for large-scale and dynamically…

Machine Learning · Computer Science 2025-05-20 Mohit Kataria , Nikita Malik , Sandeep Kumar , Jayadeva

Graph hypernetworks (GHNs), constructed by combining graph neural networks (GNNs) with hypernetworks (HNs), leverage relational data across various domains such as neural architecture search, molecular property prediction and federated…

Machine Learning · Computer Science 2024-06-03 Bao Nguyen , Lorenzo Sani , Xinchi Qiu , Pietro Liò , Nicholas D. Lane

The problem of labeled graph generation is gaining attention in the Deep Learning community. The task is challenging due to the sparse and discrete nature of graph spaces. Several approaches have been proposed in the literature, most of…

Machine Learning · Computer Science 2021-07-20 Marco Podda , Davide Bacciu

Graph neural networks (GNNs) have demonstrated promising performance across various chemistry-related tasks. However, conventional graphs only model the pairwise connectivity in molecules, failing to adequately represent higher-order…

Chemical Physics · Physics 2023-12-22 Junwu Chen , Philippe Schwaller

Recent advancements in ophthalmology foundation models such as RetFound have demonstrated remarkable diagnostic capabilities but require massive datasets for effective pre-training, creating significant barriers for development and…

Image and Video Processing · Electrical Eng. & Systems 2025-03-25 Qingshan Hou , Meng Wang , Peng Cao , Zou Ke , Xiaoli Liu , Huazhu Fu , Osmar R. Zaiane