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We consider representation learning for proteins with 3D structures. We build 3D graphs based on protein structures and develop graph networks to learn their representations. Depending on the levels of details that we wish to capture,…

Machine Learning · Computer Science 2023-03-07 Limei Wang , Haoran Liu , Yi Liu , Jerry Kurtin , Shuiwang Ji

Graphlets are induced subgraphs of a large network and are important for understanding and modeling complex networks. Despite their practical importance, graphlets have been severely limited to applications and domains with relatively small…

Social and Information Networks · Computer Science 2017-03-01 Ryan A. Rossi , Rong Zhou , Nesreen K. Ahmed

Graph mining has become crucial in fields such as social science, finance, and cybersecurity. Many large-scale real-world networks exhibit both heterogeneity, where multiple node and edge types exist in the graph, and heterophily, where…

Machine Learning · Computer Science 2025-06-04 Junhong Lin , Xiaojie Guo , Shuaicheng Zhang , Yada Zhu , Julian Shun

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 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 neural networks (GNNs) have received massive attention in the field of machine learning on graphs. Inspired by the success of neural networks, a line of research has been conducted to train GNNs to deal with various tasks, such as…

Machine Learning · Computer Science 2022-04-11 Manh Tuan Do , Noseong Park , Kijung Shin

The scalable solution of large sparse linear systems is a bottleneck in scientific computing and graph analysis. While algebraic multigrid (AMG) offers optimal linear scaling, its performance is severely constrained by the trade-off between…

Machine Learning · Computer Science 2026-05-27 Yali Fink , Ido Ben-Yair , Lars Ruthotto , Eran Treister

Graph neural networks (GNNs) have delivered remarkable results in various fields. However, the rapid increase in the scale of graph data has introduced significant performance bottlenecks for GNN inference. Both computational complexity and…

Machine Learning · Computer Science 2025-03-11 Xiabao Wu , Yongchao Liu , Wei Qin , Chuntao Hong

Graphs, consisting of vertices and edges, are vital for representing complex relationships in fields like social networks, finance, and blockchain. Visualizing these graphs helps analysts identify structural patterns, with readability…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-11-18 Sanggeon Yun

Biomedical networks (or graphs) are universal descriptors for systems of interacting elements, from molecular interactions and disease co-morbidity to healthcare systems and scientific knowledge. Advances in artificial intelligence,…

Machine Learning · Computer Science 2025-02-07 Michelle M. Li , Kexin Huang , Marinka Zitnik

A main challenge in mining network-based data is finding effective ways to represent or encode graph structures so that it can be efficiently exploited by machine learning algorithms. Several methods have focused in network representation…

Social and Information Networks · Computer Science 2019-03-18 Leonardo Gutiérrez-Gómez , Jean-Charles Delvenne

Machine learning on graph structured data has attracted much research interest due to its ubiquity in real world data. However, how to efficiently represent graph data in a general way is still an open problem. Traditional methods use…

Machine Learning · Computer Science 2019-11-14 Jiaqi Ma , Qiaozhu Mei

Graph data, such as chemical networks and social networks, may be deemed confidential/private because the data owner often spends lots of resources collecting the data or the data contains sensitive information, e.g., social relationships.…

Cryptography and Security · Computer Science 2020-10-07 Xinlei He , Jinyuan Jia , Michael Backes , Neil Zhenqiang Gong , Yang Zhang

In genome-scale constraint-based metabolic models, gene deletion strategies are essential for achieving growth-coupled production, where cell growth and target metabolite synthesis occur simultaneously. Despite the inherently networked…

Quantitative Methods · Quantitative Biology 2026-04-10 Ziwei Yang , Takeyuki Tamura

Identifying critical nodes and links in graphs is a crucial task. These nodes/links typically represent critical elements/communication links that play a key role in a system's performance. However, a majority of the methods available in…

Social and Information Networks · Computer Science 2022-05-31 Sai Munikoti , Laya Das , Balasubramaniam Natarajan

Graphs may be used to represent many different problem domains -- a concrete example is that of detecting communities in social networks, which are represented as graphs. With big data and more sophisticated applications becoming widespread…

Distributed, Parallel, and Cluster Computing · Computer Science 2017-04-03 Miguel E. Coimbra , Alexandre P. Francisco , Luis Veiga

Graph databases have emerged as the fundamental technology underpinning trendy application domains where traditional databases are not well-equipped to handle complex graph data. However, current graph databases support basic graph…

Databases · Computer Science 2016-02-02 Amine Ghrab , Oscar Romero , Sabri Skhiri , Alejandro Vaisman , Esteban Zimányi

Efficient processing of large-scale graphs in distributed environments has been an increasingly popular topic of research in recent years. Inter-connected data that can be modeled as graphs arise in application domains such as machine…

Distributed, Parallel, and Cluster Computing · Computer Science 2018-01-25 Vasiliki Kalavri , Vladimir Vlassov , Seif Haridi

Graph learning algorithms have attained state-of-the-art performance on many graph analysis tasks such as node classification, link prediction, and clustering. It has, however, become hard to track the field's burgeoning progress. One…

Machine Learning · Computer Science 2022-04-05 Anton Tsitsulin , Benedek Rozemberczki , John Palowitch , Bryan Perozzi

In recent years, graph neural networks (GNNs) have gained increasing popularity and have shown very promising results for data that are represented by graphs. The majority of GNN architectures are designed based on developing new…

Machine Learning · Statistics 2021-10-05 Anahita Iravanizad , Edgar Ivan Sanchez Medina , Martin Stoll
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