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Graph Neural Networks (GNNs) have achieved significant success in machine learning, with wide applications in social networks, bioinformatics, knowledge graphs, and other fields. Most research assumes ideal closed-set environments. However,…

Machine Learning · Computer Science 2025-03-04 Yicong Dong , Rundong He , Guangyao Chen , Wentao Zhang , Zhongyi Han , Jieming Shi , Yilong Yin

As the state-of-the-art methods for high-dimensional data retrieval, Approximate Nearest Neighbor Search (ANNS) approaches with graph-based indexes have attracted increasing attention and play a crucial role in many real-world applications,…

In this article, we propose a new method named fused mixed graphical model (FMGM), which can infer network structures for dichotomous phenotypes. We assumed that the interplay of different omics markers is associated with disease status and…

Methodology · Statistics 2022-09-01 Jaehyun Park , Sungho Won

Graph Neural Networks (GNNs) have achieved promising performance in semi-supervised node classification in recent years. However, the problem of insufficient supervision, together with representation collapse, largely limits the performance…

Machine Learning · Computer Science 2025-03-07 Xihong Yang , Yiqi Wang , Yue Liu , Yi Wen , Lingyuan Meng , Sihang Zhou , Xinwang Liu , En Zhu

In multimodal graph learning, graph structures that integrate information from multiple sources, such as vision and text, can more comprehensively model complex entity relationships. However, the continuous growth of their data scale poses…

Machine Learning · Computer Science 2026-02-10 Lian Shen , Zhendan Chen , Meijia Song , Yinhui jiang , Ziming Su , Juan Liu , Xiangrong Liu

Graph Neural Networks (GNNs) have been widely applied to various fields due to their powerful representations of graph-structured data. Despite the success of GNNs, most existing GNNs are designed to learn node representations on the fixed…

Machine Learning · Computer Science 2021-06-14 Seongjun Yun , Minbyul Jeong , Sungdong Yoo , Seunghun Lee , Sean S. Yi , Raehyun Kim , Jaewoo Kang , Hyunwoo J. Kim

This note explores the applicability of unsupervised machine learning techniques towards hard optimization problems on random inputs. In particular we consider Graph Neural Networks (GNNs) -- a class of neural networks designed to learn…

Optimization and Control · Mathematics 2019-08-19 Weichi Yao , Afonso S. Bandeira , Soledad Villar

We present GraphMix, a regularization method for Graph Neural Network based semi-supervised object classification, whereby we propose to train a fully-connected network jointly with the graph neural network via parameter sharing and…

Machine Learning · Computer Science 2020-10-12 Vikas Verma , Meng Qu , Kenji Kawaguchi , Alex Lamb , Yoshua Bengio , Juho Kannala , Jian Tang

We present a framework of Training Free Graph Matching (TFGM) to boost the performance of Graph Neural Networks (GNNs) based graph matching, providing a fast promising solution without training (training-free). TFGM provides four widely…

Machine Learning · Computer Science 2022-02-15 Zhiyuan Liu , Yixin Cao , Fuli Feng , Xiang Wang , Jie Tang , Kenji Kawaguchi , Tat-Seng Chua

The Gromov-Wasserstein (GW) variant of optimal transport, designed to compare probability densities defined over distinct metric spaces, has emerged as an important tool for the analysis of data with complex structure, such as ensembles of…

Machine Learning · Statistics 2025-08-15 Mary Chriselda Antony Oliver , Emmanuel Hartman , Tom Needham

Graph Neural Networks (GNNs) have become essential for handling large-scale graph applications. However, the computational demands of GNNs necessitate the development of efficient methods to accelerate inference. Mixed precision…

Machine Learning · Computer Science 2025-05-15 Samir Moustafa , Nils M. Kriege , Wilfried N. Gansterer

Graph similarity computation aims to predict a similarity score between one pair of graphs to facilitate downstream applications, such as finding the most similar chemical compounds similar to a query compound or Fewshot 3D Action…

Machine Learning · Computer Science 2021-01-06 Haoyan Xu , Ziheng Duan , Jie Feng , Runjian Chen , Qianru Zhang , Zhongbin Xu , Yueyang Wang

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…

Machine Learning · Computer Science 2024-10-10 Lequan Lin , Dai Shi , Andi Han , Zhiyong Wang , Junbin Gao

The Gromov--Wasserstein (GW) distance and its fused extension (FGW) are powerful tools for comparing heterogeneous data. Their computation is, however, challenging since both distances are based on non-convex, quadratic optimal transport…

Machine Learning · Computer Science 2025-11-14 Moritz Piening , Robert Beinert

Graph Neural Networks (GNNs) have achieved significant success in addressing node classification tasks. However, the effectiveness of traditional GNNs degrades on heterophilic graphs, where connected nodes often belong to different labels…

Machine Learning · Computer Science 2025-11-11 Asela Hevapathige , Asiri Wijesinghe , Ahad N. Zehmakan

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

We present a new method to regularize graph neural networks (GNNs) for better generalization in graph classification. Observing that the omission of sub-structures does not necessarily change the class label of the whole graph, we develop…

Social and Information Networks · Computer Science 2020-09-23 Yiwei Wang , Wei Wang , Yuxuan Liang , Yujun Cai , Bryan Hooi

A large number of real-world networks include multiple types of nodes and edges. Graph Neural Network (GNN) emerged as a deep learning framework to generate node and graph embeddings for downstream machine learning tasks. However, popular…

Machine Learning · Computer Science 2024-11-26 Ziynet Nesibe Kesimoglu , Serdar Bozdag

The ability to compute similarity scores between graphs based on metrics such as Graph Edit Distance (GED) is important in many real-world applications. Computing exact GED values is typically an NP-hard problem and traditional algorithms…

Machine Learning · Computer Science 2022-08-18 Haoyan Xu , Runjian Chen , Yueyang Wang , Ziheng Duan , Jie Feng

Graph Neural Networks have emerged as a useful tool to learn on the data by applying additional constraints based on the graph structure. These graphs are often created with assumed intrinsic relations between the entities. In recent years,…

Machine Learning · Statistics 2021-05-18 Sunil Kumar Maurya , Xin Liu , Tsuyoshi Murata
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