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In recent years, the Hamiltonian Monte Carlo (HMC) algorithm has been found to work more efficiently compared to other popular Markov Chain Monte Carlo (MCMC) methods (such as random walk Metropolis-Hastings) in generating samples from a…

Computation · Statistics 2014-02-18 Andrew L. Beam , Sujit K. Ghosh , Jon Doyle

Graph neural networks (GNNs) have demonstrated success in modeling relational data, especially for data that exhibits homophily: when a connection between nodes tends to imply that they belong to the same class. However, while this…

Machine Learning · Computer Science 2023-06-23 Andreea Deac , Jian Tang

As in various fields like scientific research and industrial application, the computation time optimization is becoming a task that is of increasing importance because of its highly parallel architecture. The graphics processing unit is…

Performance · Computer Science 2017-10-18 Huichao Hong , Lixin Zheng , Shuwan Pan

Computational topology is an area that revisits topological problems from an algorithmic point of view, and develops topological tools for improved algorithms. We survey results in computational topology that are concerned with graphs drawn…

Computational Geometry · Computer Science 2017-09-06 Éric Colin de Verdière

Evolutionary computing (EC) has proven to be effective in solving complex optimization and robotics problems. Unfortunately, typical Evolutionary Algorithms (EAs) are constrained by the computational capacity available to researchers. More…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-02-19 Rustam Eynaliyev , Houcen Liu

Mapping complex input data into suitable lower dimensional manifolds is a common procedure in machine learning. This step is beneficial mainly for two reasons: (1) it reduces the data dimensionality and (2) it provides a new data…

Machine Learning · Computer Science 2018-11-28 Daniele Zambon , Lorenzo Livi , Cesare Alippi

Graphics Processing Unit, or GPUs, have been successfully adopted both for graphic computation in 3D applications, and for general purpose application (GP-GPUs), thank to their tremendous performance-per-watt. Recently, there is a big…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-10-03 Paolo Burgio

In this work, we have explored the advantages and drawbacks of using GPUs instead of CPUs in the calculation of a standard 2-point correlation function algorithm, which is useful for the analysis of Large Scale Structure of galaxies. Taking…

Instrumentation and Methods for Astrophysics · Physics 2012-05-01 Rafael Ponce , Miguel Cardenas-Montes , Juan Jose Rodriguez-Vazquez , Eusebio Sanchez , Ignacio Sevilla

Learning efficient graph representation is the key to favorably addressing downstream tasks on graphs, such as node or graph property prediction. Given the non-Euclidean structural property of graphs, preserving the original graph data's…

Machine Learning · Computer Science 2022-05-31 Bingxin Zhou , Xuebin Zheng , Yu Guang Wang , Ming Li , Junbin Gao

Interest has been rising lately towards methods representing data in non-Euclidean spaces, e.g. hyperbolic or spherical, that provide specific inductive biases useful for certain real-world data properties, e.g. scale-free, hierarchical or…

Machine Learning · Computer Science 2020-05-20 Gregor Bachmann , Gary Bécigneul , Octavian-Eugen Ganea

In recent years, it has become increasingly common for high performance computers (HPC) to possess some level of heterogeneous architecture - typically in the form of GPU accelerators. In some machines these are isolated within a dedicated…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-10-19 I. Zacharoudiou , J. W. S. McCullough , P. V. Coveney

Representing graphs as sets of node embeddings in certain curved Riemannian manifolds has recently gained momentum in machine learning due to their desirable geometric inductive biases, e.g., hierarchical structures benefit from hyperbolic…

Machine Learning · Computer Science 2020-06-09 Calin Cruceru , Gary Bécigneul , Octavian-Eugen Ganea

The graphics processing unit (GPU) has emerged as a powerful and cost effective processor for general performance computing. GPUs are capable of an order of magnitude more floating-point operations per second as compared to modern central…

Computation · Statistics 2012-07-24 Mark Franey , Pritam Ranjan , Hugh Chipman

Eulerian nonlinear uncertainty propagation methods often suffer from finite domain limitations and computational inefficiencies. A recent approach to this class of algorithm, Grid-based Bayesian Estimation Exploiting Sparsity, addresses the…

Chaotic Dynamics · Physics 2025-08-20 Benjamin L. Hanson , Carlos Rubio , Adrián García-Gutiérrez , Thomas Bewley

The computer vision task of reconstructing 3D images, i.e., shapes, from their single 2D image slices is extremely challenging, more so in the regime of limited data. Deep learning models typically optimize geometric loss functions, which…

Machine Learning · Computer Science 2023-03-10 Kalyan Varma Nadimpalli , Amit Chattopadhyay , Bastian Rieck

Persistent homology, a technique from computational topology, has recently shown strong empirical performance in the context of graph classification. Being able to capture long range graph properties via higher-order topological features,…

Machine Learning · Computer Science 2024-12-20 Rubén Ballester , Bastian Rieck

Betweenness Centrality (BC) is steadily growing in popularity as a metrics of the influence of a vertex in a graph. The BC score of a vertex is proportional to the number of all-pairs-shortest-paths passing through it. However, complete and…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-02-22 Flavio Vella , Giancarlo Carbone , Massimo Bernaschi

Graph embedding techniques have attracted growing interest since they convert the graph data into continuous and low-dimensional space. Effective graph analytic provides users a deeper understanding of what is behind the data and thus can…

Machine Learning · Computer Science 2022-01-21 Azita Nouri , Philip E. Davis , Pradeep Subedi , Manish Parashar

Computational topology provides a tool, persistent homology, to extract quantitative descriptors from structured objects (images, graphs, point clouds, etc). These descriptors can then be involved in optimization problems, typically as a…

Computational Geometry · Computer Science 2026-03-27 Mathieu Carriere , Yuichi Ike , Théo Lacombe , Naoki Nishikawa

Deep learning-based medical image segmentation techniques have shown promising results when evaluated based on conventional metrics such as the Dice score or Intersection-over-Union. However, these fully automatic methods often fail to meet…

Image and Video Processing · Electrical Eng. & Systems 2025-08-06 Liu Li , Qiang Ma , Cheng Ouyang , Johannes C. Paetzold , Daniel Rueckert , Bernhard Kainz