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Graphs are ubiquitous in social networks and biochemistry, where Graph Neural Networks (GNN) are the state-of-the-art models for prediction. Graphs can be evolving and it is vital to formally model and understand how a trained GNN responds…

Machine Learning · Computer Science 2024-03-12 Yazheng Liu , Xi Zhang , Sihong Xie

Graph-level contrastive learning, aiming to learn the representations for each graph by contrasting two augmented graphs, has attracted considerable attention. Previous studies usually simply assume that a graph and its augmented graph as a…

Artificial Intelligence · Computer Science 2024-04-15 Yanbei Liu , Yu Zhao , Xiao Wang , Lei Geng , Zhitao Xiao

Graph neural networks have emerged as a powerful model for graph representation learning to undertake graph-level prediction tasks. Various graph pooling methods have been developed to coarsen an input graph into a succinct graph-level…

Machine Learning · Computer Science 2021-09-27 Xiaowei Zhou , Jie Yin , Ivor W. Tsang

Graph neural networks (GNN) has been demonstrated to be effective in classifying graph structures. To further improve the graph representation learning ability, hierarchical GNN has been explored. It leverages the differentiable pooling to…

Social and Information Networks · Computer Science 2019-12-19 Kaixiong Zhou , Qingquan Song , Xiao Huang , Daochen Zha , Na Zou , Xia Hu

In the vast landscape of visualization research, Dimensionality Reduction (DR) and graph analysis are two popular subfields, often essential to most visual data analytics setups. DR aims to create representations to support neighborhood and…

Machine Learning · Computer Science 2024-12-10 Fernando Paulovich , Alessio Arleo , Stef van den Elzen

Graph-level representations (and clustering/classification based on these representations) are required in a variety of applications. Examples include identifying malicious network traffic, prediction of protein properties, and many others.…

Machine Learning · Computer Science 2024-11-20 Xiang Li , Gagan Agrawal , Rajiv Ramnath , Ruoming Jin

Advances in deep learning models have revolutionized the study of biomolecule systems and their mechanisms. Graph representation learning, in particular, is important for accurately capturing the geometric information of biomolecules at…

Quantitative Methods · Quantitative Biology 2023-04-07 Xinye Xiong , Bingxin Zhou , Yu Guang Wang

Heterogeneous graphs are ubiquitous in real-world applications because they can represent various relationships between different types of entities. Therefore, learning embeddings in such graphs is a critical problem in graph machine…

Machine Learning · Computer Science 2024-04-02 Yue Zhang , Yuntian He , Saket Gurukar , Srinivasan Parthasarathy

We define a range of new coarse geometric invariants based on various graph-theoretic measures of complexity for finite graphs, including: treewidth, pathwidth, cutwidth and bandwidth. We prove that, for bounded degree graphs, these…

Metric Geometry · Mathematics 2025-08-07 Wanying Huang , David Hume , Samuel J. Kelly , Ryan Lam

For graph classification tasks, many traditional kernel methods focus on measuring the similarity between graphs. These methods have achieved great success on resolving graph isomorphism problems. However, in some classification problems,…

Machine Learning · Computer Science 2021-02-18 Jianming Huang , Hiroyuki Kasai

Graphs are a basic tool for the representation of modern data. The richness of the topological information contained in a graph goes far beyond its mere interpretation as a one-dimensional simplicial complex. We show how topological…

Combinatorics · Mathematics 2018-10-11 Mattia G. Bergomi , Massimo Ferri , Lorenzo Zuffi

The topological (or graph) structures of real-world networks are known to be predictive of multiple dynamic properties of the networks. Conventionally, a graph structure is represented using an adjacency matrix or a set of hand-crafted…

Social and Information Networks · Computer Science 2016-10-21 Cheng Li , Xiaoxiao Guo , Qiaozhu Mei

Graph-based clustering has shown promising performance in many tasks. A key step of graph-based approach is the similarity graph construction. In general, learning graph in kernel space can enhance clustering accuracy due to the…

Machine Learning · Computer Science 2019-05-22 Zhao Kang , Honghui Xu , Boyu Wang , Hongyuan Zhu , Zenglin Xu

Graphs are widely used as a popular representation of the network structure of connected data. Graph data can be found in a broad spectrum of application domains such as social systems, ecosystems, biological networks, knowledge graphs, and…

Machine Learning · Computer Science 2021-05-04 Feng Xia , Ke Sun , Shuo Yu , Abdul Aziz , Liangtian Wan , Shirui Pan , Huan Liu

The computation of distance measures between nodes in graphs is inefficient and does not scale to large graphs. We explore dense vector representations as an effective way to approximate the same information: we introduce a simple yet…

Computation and Language · Computer Science 2019-06-18 Andrey Kutuzov , Mohammad Dorgham , Oleksiy Oliynyk , Chris Biemann , Alexander Panchenko

Graphs provide a powerful means for representing complex interactions between entities. Recently, deep learning approaches are emerging for representing and modeling graph-structured data, although the conventional deep learning methods…

Neural and Evolutionary Computing · Computer Science 2016-12-06 Jaekoo Lee , Hyunjae Kim , Jongsun Lee , Sungroh Yoon

While representation learning has yielded a great success on many graph learning tasks, there is little understanding behind the structures that are being captured by these embeddings. For example, we wonder if the topological features,…

Machine Learning · Computer Science 2021-10-11 Maroun Haddad , Mohamed Bouguessa

Graphs can model real-world, complex systems by representing entities and their interactions in terms of nodes and edges. To better exploit the graph structure, graph neural networks have been developed, which learn entity and edge…

Machine Learning · Computer Science 2022-06-06 Tong Liu , Yushan Liu , Marcel Hildebrandt , Mitchell Joblin , Hang Li , Volker Tresp

Graph drawing research traditionally focuses on producing geometric embeddings of graphs satisfying various aesthetic constraints. After the geometric embedding is specified, there is an additional step that is often overlooked or ignored:…

Computational Geometry · Computer Science 2007-05-23 Michael B. Dillencourt , David Eppstein , Michael T. Goodrich

Graph representation learning has attracted increasing research attention. However, most existing studies fuse all structural features and node attributes to provide an overarching view of graphs, neglecting finer substructures' semantics,…

Machine Learning · Computer Science 2021-05-25 Qingyun Sun , Jianxin Li , Hao Peng , Jia Wu , Yuanxing Ning , Phillip S. Yu , Lifang He