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Many numerical methods for evaluating matrix functions can be naturally viewed as computational graphs. Rephrasing these methods as directed acyclic graphs (DAGs) is a particularly effective approach to study existing techniques, improve…

Numerical Analysis · Mathematics 2021-08-20 Elias Jarlebring , Massimiliano Fasi , Emil Ringh

Graph neural networks (GNNs) have emerged as powerful tools for learning protein structures by capturing spatial relationships at the residue level. However, existing GNN-based methods often face challenges in learning multiscale…

Machine Learning · Computer Science 2026-02-03 Shih-Hsin Wang , Yuhao Huang , Taos Transue , Justin Baker , Jonathan Forstater , Thomas Strohmer , Bao Wang

Graph embedding algorithms are used to efficiently represent (encode) a graph in a low-dimensional continuous vector space that preserves the most important properties of the graph. One aspect that is often overlooked is whether the graph…

Machine Learning · Computer Science 2020-01-31 Zekarias T. Kefato , Nasrullah Sheikh , Alberto Montresor

Graph-structured combinatorial challenges are inherently difficult due to their nonlinear and intricate nature, often rendering traditional computational methods ineffective or expensive. However, these challenges can be more naturally…

Artificial Intelligence · Computer Science 2025-01-22 Jie Zhao , Kang Hao Cheong , Witold Pedrycz

We demonstrate that graph-based models are fully capable of representing higher-order interactions, and have a long history of being used for precisely this purpose. This stands in contrast to a common claim in the recent literature on…

Physics and Society · Physics 2026-02-20 Tiago P. Peixoto , Leto Peel , Thilo Gross , Manlio De Domenico

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

The Mapper algorithm is a popular tool for visualization and data exploration in topological data analysis. We investigate an inverse problem for the Mapper algorithm: Given a dataset $X$ and a graph $G$, does there exist a set of Mapper…

Algebraic Multigrid (AMG) methods are often robust and effective solvers for solving the large and sparse linear systems that arise from discretized PDEs and other problems, relying on heuristic graph algorithms to achieve their…

Numerical Analysis · Mathematics 2023-08-23 Tareq Zaman , Nicolas Nytko , Ali Taghibakhshi , Scott MacLachlan , Luke Olson , Matthew West

In many cutting-edge applications, high-fidelity computational models prove to be too slow for practical use and are therefore replaced by much faster surrogate models. Recently, deep learning techniques have increasingly been utilized to…

Machine Learning · Computer Science 2024-04-03 Saurabh Deshpande , Stéphane P. A. Bordas , Jakub Lengiewicz

Networks are a powerful tool to model complex systems, and the definition of many Graph Neural Networks (GNN), Deep Learning algorithms that can handle networks, has opened a new way to approach many real-world problems that would be hardly…

Machine Learning · Computer Science 2021-09-28 Marco Grassia , Manlio De Domenico , Giuseppe Mangioni

In many numerical schemes, the computational complexity scales non-linearly with the problem size. Solving a linear system of equations using direct methods or most iterative methods is a typical example. Algebraic multi-grid (AMG) methods…

Numerical Analysis · Mathematics 2020-11-20 Reza Namazi , Arsham Zolanvari , Mahdi Sani , Seyed Amir Ali Ghafourian Ghahramani

In this paper, we propose a new representation for multiview image sets. Our approach relies on graphs to describe geometry information in a compact and controllable way. The links of the graph connect pixels in different images and…

Multimedia · Computer Science 2013-12-23 Thomas Maugey , Antonio Ortega , Pascal Frossard

Omnidirectional cameras are widely used in such areas as robotics and virtual reality as they provide a wide field of view. Their images are often processed with classical methods, which might unfortunately lead to non-optimal solutions as…

Computer Vision and Pattern Recognition · Computer Science 2017-07-27 Renata Khasanova , Pascal Frossard

Directed acyclic graphs (DAGs) are a popular framework to express multivariate probability distributions. Acyclic directed mixed graphs (ADMGs) are generalizations of DAGs that can succinctly capture much richer sets of conditional…

Machine Learning · Statistics 2010-09-01 Ricardo Silva , Charles Blundell , Yee Whye Teh

Convolutional neural networks (CNNs) leverage the great power in representation learning on regular grid data such as image and video. Recently, increasing attention has been paid on generalizing CNNs to graph or network data which is…

Social and Information Networks · Computer Science 2018-08-21 Yao Ma , Suhang Wang , Charu C. Aggarwal , Dawei Yin , Jiliang Tang

Graphs are widespread data structures used to model a wide variety of problems. The sheer amount of data to be processed has prompted the creation of a myriad of systems that help us cope with massive scale graphs. The pressure to deliver…

Distributed, Parallel, and Cluster Computing · Computer Science 2014-10-09 Luis M. Vaquero , Felix Cuadrado , Matei Ripeanu

The prevalence of graph-based data has spurred the rapid development of graph neural networks (GNNs) and related machine learning algorithms. Yet, despite the many datasets naturally modeled as directed graphs, including citation, website,…

Machine Learning · Computer Science 2021-06-14 Xitong Zhang , Yixuan He , Nathan Brugnone , Michael Perlmutter , Matthew Hirn

Computers and algorithms play an ever-increasing role in obtaining new results in graph theory. In this survey, we present a broad range of techniques used in computer-assisted graph theory, including the exhaustive generation of all…

Combinatorics · Mathematics 2025-08-29 Jorik Jooken

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

Graphs have a superior ability to represent relational data, like chemical compounds, proteins, and social networks. Hence, graph-level learning, which takes a set of graphs as input, has been applied to many tasks including comparison,…

Machine Learning · Computer Science 2023-05-26 Zhenyu Yang , Ge Zhang , Jia Wu , Jian Yang , Quan Z. Sheng , Shan Xue , Chuan Zhou , Charu Aggarwal , Hao Peng , Wenbin Hu , Edwin Hancock , Pietro Liò