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Various Graph Neural Networks (GNNs) have been successful in analyzing data in non-Euclidean spaces, however, they have limitations such as oversmoothing, i.e., information becomes excessively averaged as the number of hidden layers…

Machine Learning · Computer Science 2024-01-23 Jaeyoon Sim , Sooyeon Jeon , InJun Choi , Guorong Wu , Won Hwa Kim

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…

Machine Learning · Computer Science 2023-12-19 Ameen Ali , Hakan Cevikalp , Lior Wolf

Graph Neural Networks (GNNs) play a pivotal role in graph-based tasks for their proficiency in representation learning. Among the various GNN methods, spectral GNNs employing polynomial filters have shown promising performance on tasks…

Machine Learning · Computer Science 2025-01-09 Haipeng Ding , Zhewei Wei , Yuhang Ye

Graph neural networks (GNNs) have emerged as a powerful approach for solving many network mining tasks. However, learning on large graphs remains a challenge - many recently proposed scalable GNN approaches rely on an expensive…

Graph Neural Networks (GNN) have demonstrated state-of-the-art performance in numerous scientific and high-performance computing (HPC) applications. Recent work suggests that "souping" (combining) individually trained GNNs into a single…

Machine Learning · Computer Science 2025-03-17 Joseph Zuber , Aishwarya Sarkar , Joseph Jennings , Ali Jannesari

Semi-supervised node classification on graphs is an important research problem, with many real-world applications in information retrieval such as content classification on a social network and query intent classification on an e-commerce…

Machine Learning · Computer Science 2022-03-29 Zhihao Wen , Yuan Fang , Zemin Liu

Graph Neural Network (GNN) inference is used in many real-world applications. Data sparsity in GNN inference, including sparsity in the input graph and the GNN model, offer opportunities to further speed up inference. Also, many pruning…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-03-24 Bingyi Zhang , Viktor Prasanna

We address the key challenge of size-induced distribution shifts in graph neural networks (GNNs) and their impact on the generalization of GNNs to larger graphs. Existing literature operates under diverse assumptions about distribution…

Machine Learning · Computer Science 2025-08-04 Gaotang Li , Danai Koutra , Yujun Yan

Diffusion has shown great success in improving accuracy of unsupervised image retrieval systems by utilizing high-order structures of image manifold. However, existing diffusion methods suffer from three major limitations: 1) they usually…

Computer Vision and Pattern Recognition · Computer Science 2020-06-15 Zhiyong Dou , Haotian Cui , Lin Zhang , Bo Wang

Graph prediction problems prevail in data analysis and machine learning. The inverse prediction problem, namely to infer input data from given output labels, is of emerging interest in various applications. In this work, we develop…

Machine Learning · Statistics 2022-11-22 Chen Xu , Xiuyuan Cheng , Yao Xie

Many emerging user-facing services adopt Graph Neural Networks (GNNs) to improve serving accuracy. When the graph used by a GNN model changes, representations (embedding) of nodes in the graph should be updated accordingly. However, the…

Machine Learning · Computer Science 2023-09-29 Jiawen Wang , Quan Chen , Deze Zeng , Zhuo Song , Chen Chen , Minyi Guo

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,…

Machine Learning · Computer Science 2020-10-27 Hao Tang , Zhiao Huang , Jiayuan Gu , Bao-Liang Lu , Hao Su

In this paper, we propose a Graph Inception Diffusion Networks(GIDN) model. This model generalizes graph diffusion in different feature spaces, and uses the inception module to avoid the large amount of computations caused by complex…

Machine Learning · Computer Science 2024-04-03 Zixiao Wang , Yuluo Guo , Jin Zhao , Yu Zhang , Hui Yu , Xiaofei Liao , Biao Wang , Ting Yu

Graph Neural Networks (GNNs) have led to state-of-the-art performance on a variety of machine learning tasks such as recommendation, node classification and link prediction. Graph neural network models generate node embeddings by merging…

Machine Learning · Computer Science 2020-11-04 Yunpeng Weng , Xu Chen , Liang Chen , Wei Liu

Graphs are ubiquitous in many applications, such as social networks, knowledge graphs, smart grids, etc.. Graph neural networks (GNN) are the current state-of-the-art for these applications, and yet remain obscure to humans. Explaining the…

Machine Learning · Computer Science 2021-11-22 Yazheng Liu , Xi Zhang , Sihong Xie

This paper studies causal inference with observational data from a single large network. We consider a nonparametric model with interference in both potential outcomes and selection into treatment. Specifically, both stages may be the…

Econometrics · Economics 2025-12-30 Michael P. Leung , Pantelis Loupos

Network datasets appear across a wide range of scientific fields, including biology, physics, and the social sciences. To enable data-driven discoveries from these networks, statistical inference techniques like estimation and hypothesis…

Methodology · Statistics 2026-02-19 Arpan Kumar , Minh Tang , Srijan Sengupta

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…

Biomolecules · Quantitative Biology 2024-05-10 Ian Dunn , David Ryan Koes

Graph Convolutional Networks (GCNs) are extensively utilized for deep learning on graphs. The large data sizes of graphs and their vertex features make scalable training algorithms and distributed memory systems necessary. Since the…

Machine Learning · Computer Science 2022-12-14 Gunduz Vehbi Demirci , Aparajita Haldar , Hakan Ferhatosmanoglu

Graph Transformer (GT), as a special type of Graph Neural Networks (GNNs), utilizes multi-head attention to facilitate high-order message passing. However, this also imposes several limitations in node classification applications: 1) nodes…

Machine Learning · Computer Science 2024-10-16 Jiajun Zhou , Xuanze Chen , Chenxuan Xie , Yu Shanqing , Qi Xuan , Xiaoniu Yang