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Protein-ligand binding prediction is central to virtual screening and affinity ranking, two fundamental tasks in drug discovery. While recent retrieval-based methods embed ligands and protein pockets into Euclidean space for…

Machine Learning · Computer Science 2025-11-25 Jianhui Wang , Wenyu Zhu , Bowen Gao , Xin Hong , Ya-Qin Zhang , Wei-Ying Ma , Yanyan Lan

Hyperbolic geometry offers a natural focus + context for data visualization and has been shown to underlie real-world complex networks. However, current hyperbolic network visualization approaches are limited to special types of networks…

Graphics · Computer Science 2022-05-18 Jacob Miller , Stephen Kobourov , Vahan Huroyan

Link prediction infers potential links from observed networks, and is one of the essential problems in network analyses. In contrast to traditional graph representation modeling which only predicts two-way pairwise relations, we propose a…

Social and Information Networks · Computer Science 2021-11-10 Yubai Yuan , Annie Qu

In this paper, we consider the problem of inferring the sign of a link based on limited sign data in signed networks. Regarding this link sign prediction problem, SDGNN (Signed Directed Graph Neural Networks) provides the best prediction…

Machine Learning · Computer Science 2023-05-18 Zhihong Fang , Shaolin Tan , Yaonan Wang

Network embedding assigns nodes in a network to low-dimensional representations and effectively preserves the network structure. Recently, a significant amount of progresses have been made toward this emerging network analysis paradigm. In…

Social and Information Networks · Computer Science 2017-11-27 Peng Cui , Xiao Wang , Jian Pei , Wenwu Zhu

The emergence of Deep Convolutional Neural Networks (DCNNs) has been a pervasive tool for accomplishing widespread applications in computer vision. Despite its potential capability to capture intricate patterns inside the data, the…

Machine Learning · Statistics 2024-11-18 Sagar Ghosh , Kushal Bose , Swagatam Das

Hyperbolic models are known to produce networks with properties observed empirically in most network datasets, including heavy-tailed degree distribution, high clustering, and hierarchical structures. As a result, several embeddings…

Computation · Statistics 2025-05-16 Simon Lizotte , Jean-Gabriel Young , Antoine Allard

In machine learning, data is usually represented in a (flat) Euclidean space where distances between points are along straight lines. Researchers have recently considered more exotic (non-Euclidean) Riemannian manifolds such as hyperbolic…

Machine Learning · Computer Science 2021-01-12 Marc T. Law , Jos Stam

Recently, there has been a rising surge of momentum for deep representation learning in hyperbolic spaces due to theirhigh capacity of modeling data like knowledge graphs or synonym hierarchies, possessing hierarchical structure. We refer…

Machine Learning · Computer Science 2021-02-18 Wei Peng , Tuomas Varanka , Abdelrahman Mostafa , Henglin Shi , Guoying Zhao

Recently, Hyperbolic Spaces in the context of Non-Euclidean Deep Learning have gained popularity because of their ability to represent hierarchical data. We propose that it is possible to take advantage of the hierarchical characteristic…

Machine Learning · Computer Science 2021-02-11 Diego Lazcano , Nicolás Fredes , Werner Creixell

The need to understand the structure of hierarchical or high-dimensional data is present in a variety of fields. Hyperbolic spaces have proven to be an important tool for embedding computations and analysis tasks as their non-linear nature…

Human-Computer Interaction · Computer Science 2024-01-26 Martin Skrodzki , Hunter van Geffen , Nicolas F. Chaves-de-Plaza , Thomas Höllt , Elmar Eisemann , Klaus Hildebrandt

Image analysis in the euclidean space through linear hyperspaces is well studied. However, in the quest for more effective image representations, we turn to hyperbolic manifolds. They provide a compelling alternative to capture complex…

Computer Vision and Pattern Recognition · Computer Science 2024-09-11 Debjyoti Mondal , Rahul Mishra , Chandan Pandey

Network embedding has recently emerged as a promising technique to embed nodes of a network into low-dimensional vectors. While fairly successful, most existing works focus on the embedding techniques for static networks. But in practice,…

Social and Information Networks · Computer Science 2020-10-28 Zenan Xu , Zijing Ou , Qinliang Su , Jianxing Yu , Xiaojun Quan , Zhenkun Lin

One of the pillars of the geometric approach to networks has been the development of model-based mapping tools that embed real networks in its latent geometry. In particular, the tool Mercator embeds networks into the hyperbolic plane.…

Physics and Society · Physics 2023-11-15 Robert Jankowski , Antoine Allard , Marián Boguñá , M. Ángeles Serrano

Network data are ubiquitous in modern machine learning, with tasks of interest including node classification, node clustering and link prediction. A frequent approach begins by learning an Euclidean embedding of the network, to which…

Machine Learning · Statistics 2023-05-18 Andrew Davison , Morgane Austern

Finding a low dimensional representation of hierarchical, structured data described by a network remains a challenging problem in the machine learning community. An emerging approach is embedding these networks into hyperbolic space because…

Social and Information Networks · Computer Science 2019-05-03 David McDonald , Shan He

Learning from graph-structured data is an important task in machine learning and artificial intelligence, for which Graph Neural Networks (GNNs) have shown great promise. Motivated by recent advances in geometric representation learning, we…

Machine Learning · Computer Science 2019-10-30 Qi Liu , Maximilian Nickel , Douwe Kiela

In contrast to regular (simple) networks, hyper networks possess the ability to depict more complex relationships among nodes and store extensive information. Such networks are commonly found in real-world applications, such as in social…

Social and Information Networks · Computer Science 2023-11-08 Shu Liu , Cameron Lai , Fujio Toriumi

Scene graph representations enable structured visual understanding by modeling objects and their relationships, and have been widely used for multiview and 3D scene reasoning. Existing methods such as MSG learn scene graph embeddings in…

Computer Vision and Pattern Recognition · Computer Science 2026-04-21 Liyang Wang , Zeyu Zhang , Hao Tang

This paper investigates the notion of learning user and item representations in non-Euclidean space. Specifically, we study the connection between metric learning in hyperbolic space and collaborative filtering by exploring Mobius…

Information Retrieval · Computer Science 2019-12-02 Lucas Vinh Tran , Yi Tay , Shuai Zhang , Gao Cong , Xiaoli Li