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Graph transformers typically embed every node in a single Euclidean space, blurring heterogeneous topologies. We prepend a lightweight Riemannian mixture-of-experts layer that routes each node to various kinds of manifold, mixture of…

Machine Learning · Computer Science 2025-07-11 Ankit Jyothish , Ali Jannesari

Molecular graphs generally contain subgraphs (known as groups) that are identifiable and significant in composition, functionality, geometry, etc. Flat latent representations (node embeddings or graph embeddings) fail to represent, and…

Machine Learning · Computer Science 2019-04-05 Daniel T. Chang

Mining graph data has become a popular research topic in computer science and has been widely studied in both academia and industry given the increasing amount of network data in the recent years. However, the huge amount of network data…

Machine Learning · Computer Science 2020-01-03 Wenwu Zhu , Xin Wang , Peng Cui

Can integrating spectral and curvature signals unlock new potential in graph representation learning? Non-Euclidean geometries, particularly Riemannian manifolds such as hyperbolic (negative curvature) and spherical (positive curvature),…

Machine Learning · Computer Science 2025-06-06 Karish Grover , Haiyang Yu , Xiang Song , Qi Zhu , Han Xie , Vassilis N. Ioannidis , Christos Faloutsos

Learning graph representations via low-dimensional embeddings that preserve relevant network properties is an important class of problems in machine learning. We here present a novel method to embed directed acyclic graphs. Following prior…

Machine Learning · Computer Science 2018-06-08 Octavian-Eugen Ganea , Gary Bécigneul , Thomas Hofmann

High-dimensional multiplex graphs are characterized by their high number of complementary and divergent dimensions. The existence of multiple hierarchical latent relations between the graph dimensions poses significant challenges to…

Machine Learning · Computer Science 2025-01-30 Kamel Abdous , Nairouz Mrabah , Mohamed Bouguessa

Euclidean representations distort data with intrinsic non-Euclidean structure. While Riemannian representation learning offers a solution by embedding data onto matching manifolds, it typically relies on an encoder to estimate densities on…

Machine Learning · Computer Science 2026-05-05 Andreas Bjerregaard , Søren Hauberg , Anders Krogh

Patterns stored within pre-trained deep neural networks compose large and powerful descriptive languages that can be used for many different purposes. Typically, deep network representations are implemented within vector embedding spaces,…

Neural and Evolutionary Computing · Computer Science 2017-08-10 Dario Garcia-Gasulla , Armand Vilalta , Ferran Parés , Jonatan Moreno , Eduard Ayguadé , Jesus Labarta , Ulises Cortés , Toyotaro Suzumura

Representation learning is central to graph machine learning, powering tasks such as link prediction and node classification. However, most graph embeddings are hard to interpret, offering limited insight into how learned features relate to…

Machine Learning · Computer Science 2026-05-29 Nikolaos Nakis , Chrysoula Kosma , Panagiotis Promponas , Michail Chatzianastasis , Giannis Nikolentzos

Embedding graphs in continous spaces is a key factor in designing and developing algorithms for automatic information extraction to be applied in diverse tasks (e.g., learning, inferring, predicting). The reliability of graph embeddings…

Machine Learning · Computer Science 2023-11-30 Andrea Marinoni , Pietro Lio' , Alessandro Barp , Christian Jutten , Mark Girolami

We investigate novel random graph embeddings that can be computed in expected polynomial time and that are able to distinguish all non-isomorphic graphs in expectation. Previous graph embeddings have limited expressiveness and either cannot…

Machine Learning · Computer Science 2023-08-25 Pascal Welke , Maximilian Thiessen , Fabian Jogl , Thomas Gärtner

Graph representation learning aims to effectively encode high-dimensional sparse graph-structured data into low-dimensional dense vectors, which is a fundamental task that has been widely studied in a range of fields, including machine…

Machine learning models that embed graphs in non-Euclidean spaces have shown substantial benefits in a variety of contexts, but their application has not been studied extensively in the biological domain, particularly with respect to…

Quantitative Methods · Quantitative Biology 2025-02-06 Daniel McNeela , Frederic Sala , Anthony Gitter

Graph representation learning has been widely studied and demonstrated effectiveness in various graph tasks. Most existing works embed graph data in the Euclidean space, while recent works extend the embedding models to hyperbolic or…

Machine Learning · Computer Science 2023-04-04 Cheng Deng , Fan Xu , Jiaxing Ding , Luoyi Fu , Weinan Zhang , Xinbing Wang

We consider when automorphisms of a graph can be induced by homeomorphisms of embeddings of the graph in a $3$-manifold. In particular, we prove that every automorphism of a graph is induced by a homeomorphism of some embedding of the graph…

Geometric Topology · Mathematics 2021-12-15 Erica Flapan , Song Yu

Graph embeddings have become a key and widely used technique within the field of graph mining, proving to be successful across a broad range of domains including social, citation, transportation and biological. Graph embedding techniques…

Machine Learning · Computer Science 2018-06-21 Stephen Bonner , Ibad Kureshi , John Brennan , Georgios Theodoropoulos , Andrew Stephen McGough , Boguslaw Obara

The representation of graphs is commonly based on the adjacency matrix concept. This formulation is the foundation of most algebraic and computational approaches to graph processing. The advent of deep learning language models offers a wide…

Artificial Intelligence · Computer Science 2025-12-16 Ezequiel Lopez-Rubio

An isometric embedding of a graph into a metric space is an embedding of the vertices such that the smallest number of edges connecting any two vertices equals to the distance in the metric space between the images. In this paper, we study…

Metric Geometry · Mathematics 2018-04-20 Shiquan Ren

Embedding undirected graphs in a Euclidean space has many computational benefits. FastMap is an efficient embedding algorithm that facilitates a geometric interpretation of problems posed on undirected graphs. However, Euclidean distances…

Machine Learning · Computer Science 2020-06-08 Sriram Gopalakrishnan , Liron Cohen , Sven Koenig , T. K. Satish Kumar

Representing a manifold of very high-dimensional data with generative models has been shown to be computationally efficient in practice. However, this requires that the data manifold admits a global parameterization. In order to represent…

Machine Learning · Computer Science 2024-08-13 Giovanni S. Alberti , Johannes Hertrich , Matteo Santacesaria , Silvia Sciutto