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Neuroevolutionary algorithms, automatic searches of neural network structures by means of evolutionary techniques, are computationally costly procedures. In spite of this, due to the great performance provided by the architectures which are…

Neural and Evolutionary Computing · Computer Science 2021-05-28 Unai Garciarena , Nuno Lourenço , Penousal Machado , Roberto Santana , Alexander Mendiburu

Betweenness centrality is essential in complex network analysis; it characterizes the importance of nodes and edges in networks. It is a crucial problem that exactly computes the betweenness centrality in large networks faster, which…

Computational Engineering, Finance, and Science · Computer Science 2023-06-22 Yelai Feng , Huaixi Wang

Solving inverse problems and achieving statistical rigour in landscape evolution models requires running many model realizations. Parallel computation is necessary to achieve this in a reasonable time. However, no previous algorithm is…

Computational Engineering, Finance, and Science · Computer Science 2019-01-23 Richard Barnes

Preferential attachment lies at the heart of many network models aiming to replicate features of real world networks. To simulate the attachment process, conduct statistical tests, or obtain input data for benchmarks, efficient algorithms…

Data Structures and Algorithms · Computer Science 2023-01-18 Daniel Allendorf , Ulrich Meyer , Manuel Penschuck , Hung Tran

We demonstrate a new algorithm for finding protein conformations that minimize a non-bonded energy function. The new algorithm, called the difference map, seeks to find an atomic configuration that is simultaneously in two constraint…

Biomolecules · Quantitative Biology 2007-06-13 Ivan C. Rankenburg , Veit Elser

One fruitful formulation of Deep Networks (DNs) enabling their theoretical study and providing practical guidelines to practitioners relies on Piecewise Affine Splines. In that realm, a DN's input-mapping is expressed as per-region affine…

Machine Learning · Computer Science 2024-01-23 Randall Balestriero , Yann LeCun

This paper presents new results for the (partial) maximum a posteriori (MAP) problem in Bayesian networks, which is the problem of querying the most probable state configuration of some of the network variables given evidence. First, it is…

Artificial Intelligence · Computer Science 2010-07-30 Cassio P. de Campos

We describe a new forward-backward variant of Dijkstra's and Spira's Single-Source Shortest Paths (SSSP) algorithms. While essentially all SSSP algorithm only scan edges forward, the new algorithm scans some edges backward. The new…

Data Structures and Algorithms · Computer Science 2014-05-30 David B. Wilson , Uri Zwick

Bayesian online algorithms for Sum-Product Networks (SPNs) need to update their posterior distribution after seeing one single additional instance. To do so, they must compute moments of the model parameters under this distribution. The…

Machine Learning · Computer Science 2017-11-07 Han Zhao , Geoff Gordon

As deep neural networks (DNNs) become deeper, the training time increases. In this perspective, multi-GPU parallel computing has become a key tool in accelerating the training of DNNs. In this paper, we introduce a novel methodology to…

Numerical Analysis · Mathematics 2024-07-08 Chang-Ock Lee , Youngkyu Lee , Jongho Park

This paper studies a Bayesian estimation procedure for single-hidden-layer neural networks using $\ell_{1}$ controlled weights. We study the structure of the posterior density and provide a representation that makes it amenable to rapid…

Statistics Theory · Mathematics 2025-03-20 Curtis McDonald , Andrew R. Barron

Calibrating statistical models using Bayesian inference often requires both accurate and timely estimates of parameters of interest. Particle Markov Chain Monte Carlo (p-MCMC) and Sequential Monte Carlo Squared (SMC$^2$) are two methods…

Applications · Statistics 2023-11-23 Conor Rosato , Alessandro Varsi , Joshua Murphy , Simon Maskell

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

Bayesian neural networks utilize probabilistic layers that capture uncertainty over weights and activations, and are trained using Bayesian inference. Since these probabilistic layers are designed to be drop-in replacement of their…

Machine Learning · Computer Science 2021-06-28 Daniel T. Chang

Deep ensembles have emerged as a powerful technique for improving predictive performance and enhancing model robustness across various applications by leveraging model diversity. However, traditional deep ensemble methods are often…

This paper presents new parallel algorithms for generating Euclidean minimum spanning trees and spatial clustering hierarchies (known as HDBSCAN$^*$). Our approach is based on generating a well-separated pair decomposition followed by using…

Data Structures and Algorithms · Computer Science 2021-04-05 Yiqiu Wang , Shangdi Yu , Yan Gu , Julian Shun

Approximate Bayesian Computation has been successfully used in population genetics to bypass the calculation of the likelihood. These methods provide accurate estimates of the posterior distribution by comparing the observed dataset to a…

Exponential random graph models are an important tool in the statistical analysis of data. However, Bayesian parameter estimation for these models is extremely challenging, since evaluation of the posterior distribution typically involves…

Computation · Statistics 2017-05-05 Lampros Bouranis , Nial Friel , Florian Maire

Bayesian change-point and segmentation models provide uncertainty-aware piecewise-constant representations of ordered data, but exact inference is often limited to narrow likelihood classes, single sequences, or index-uniform designs. We…

Machine Learning · Computer Science 2026-05-12 Omid Shams Solari

The identification of synthetic routes that end with a desired product has been an inherently time-consuming process that is largely dependent on expert knowledge regarding a limited fraction of the entire reaction space. At present,…

Machine Learning · Statistics 2020-12-17 Zhongliang Guo , Stephen Wu , Mitsuru Ohno , Ryo Yoshida