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Heterogeneous graph representation learning aims to learn low-dimensional vector representations of different types of entities and relations to empower downstream tasks. Existing methods either capture semantic relationships but indirectly…

Machine Learning · Computer Science 2025-08-14 Hao Xu , Shengqi Sang , Peizhen Bai , Laurence Yang , Haiping Lu

Hypergraphs offer a generalized framework for understanding complex systems, covering group interactions of different orders beyond traditional pairwise interactions. This modelling allows for the simplified description of simultaneous…

Optics · Physics 2025-07-22 Kunwoo Park , Ikbeom Lee , Seungmok Youn , Gitae Lee , Namkyoo Park , Sunkyu Yu

Generative modeling typically concerns transporting a single source distribution to a target distribution via simple probability flows. However, in fields like computer graphics and single-cell genomics, samples themselves can be viewed as…

Machine Learning · Computer Science 2025-05-20 Doron Haviv , Aram-Alexandre Pooladian , Dana Pe'er , Brandon Amos

Graph neural network have achieved impressive results in predicting molecular properties, but they do not directly account for local and hidden structures in the graph such as functional groups and molecular geometry. At each propagation…

Machine Learning · Computer Science 2020-02-25 Daniel Flam-Shepherd , Tony Wu , Pascal Friederich , Alan Aspuru-Guzik

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

Learning low-dimensional numerical representations from symbolic data, e.g., embedding the nodes of a graph into a geometric space, is an important concept in machine learning. While embedding into Euclidean space is common, recent…

Machine Learning · Computer Science 2024-10-10 Thomas Bläsius , Jean-Pierre von der Heydt , Maximilian Katzmann , Nikolai Maas

While there has been tremendous activity in the area of statistical network inference on graphs, hypergraphs have not enjoyed the same attention, on account of their relative complexity and the lack of tractable statistical models. We…

Methodology · Statistics 2025-04-15 Ga-Ming Angus Chan , Zachary Lubberts

Graphs are the most ubiquitous data structures for representing relational datasets and performing inferences in them. They model, however, only pairwise relations between nodes and are not designed for encoding the higher-order relations.…

Machine Learning · Computer Science 2021-09-23 Devanshu Arya , Deepak K. Gupta , Stevan Rudinac , Marcel Worring

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

We propose high-order hypergraph walks as a framework to generalize graph-based network science techniques to hypergraphs. Edge incidence in hypergraphs is quantitative, yielding hypergraph walks with both length and width. Graph methods…

Physics and Society · Physics 2020-06-09 Sinan G. Aksoy , Cliff Joslyn , Carlos Ortiz Marrero , Brenda Praggastis , Emilie Purvine

Graph is a universe data structure that is widely used to organize data in real-world. Various real-word networks like the transportation network, social and academic network can be represented by graphs. Recent years have witnessed the…

Machine Learning · Computer Science 2021-11-23 Xueyi Liu , Jie Tang

Graph neural networks are emerging as continuation of deep learning success w.r.t. graph data. Tens of different graph neural network variants have been proposed, most following a neighborhood aggregation scheme, where the node features are…

Machine Learning · Computer Science 2021-02-09 Dawei Leng , Jinjiang Guo , Lurong Pan , Jie Li , Xinyu Wang

The topological patterns exhibited by many real-world networks motivate the development of topology-based methods for assessing the similarity of networks. However, extracting topological structure is difficult, especially for large and…

Machine Learning · Computer Science 2022-03-15 Tananun Songdechakraiwut , Bryan M. Krause , Matthew I. Banks , Kirill V. Nourski , Barry D. Van Veen

We investigate the problem of multiplex graph embedding, that is, graphs in which nodes interact through multiple types of relations (dimensions). In recent years, several methods have been developed to address this problem. However, the…

Machine Learning · Computer Science 2023-12-29 Kamel Abdous , Nairouz Mrabah , Mohamed Bouguessa

High-dimensional data often exhibit hierarchical structures in both modes: samples and features. Yet, most existing approaches for hierarchical representation learning consider only one mode at a time. In this work, we propose an…

Machine Learning · Computer Science 2025-10-23 Ya-Wei Eileen Lin , Ronald R. Coifman , Gal Mishne , Ronen Talmon

Network data has become widespread, larger, and more complex over the years. Traditional network data is dyadic, capturing the relations among pairs of entities. With the need to model interactions among more than two entities, significant…

Social and Information Networks · Computer Science 2025-05-30 Hao Tian , Reza Zafarani

The acknowledged model for networks of collaborations is the hypergraph model. Nonetheless when it comes to be visualized hypergraphs are transformed into simple graphs. Very often, the transformation is made by clique expansion of the…

Social and Information Networks · Computer Science 2017-07-04 Xavier Ouvrard , Jean-Marie Le Goff , Stéphane Marchand-Maillet

We study an issue commonly seen with graph data analysis: many real-world complex systems involving high-order interactions are best encoded by hypergraphs; however, their datasets often end up being published or studied only in the form of…

Social and Information Networks · Computer Science 2022-11-28 Yanbang Wang , Jon Kleinberg

Molecular interactions often involve high-order relationships that cannot be fully captured by traditional graph-based models limited to pairwise connections. Hypergraphs naturally extend graphs by enabling multi-way interactions, making…

Machine Learning · Computer Science 2025-05-12 Tien Dang , Truong-Son Hy

Hypergraphs, encoding structured interactions among any number of system units, have recently proven a successful tool to describe many real-world biological and social networks. Here we propose a framework based on statistical inference to…

Social and Information Networks · Computer Science 2022-12-01 Martina Contisciani , Federico Battiston , Caterina De Bacco
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