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For many decades, quantum chemical method development has been dominated by algorithms which involve increasingly complex series of tensor contractions over one-electron orbital spaces. Procedures for their derivation and implementation…

Computational Physics · Physics 2014-10-10 George H. Booth , Simon D. Smart , Ali Alavi

We present efficient algorithms to build data structures and the lists needed for fast multipole methods. The algorithms are capable of being efficiently implemented on both serial, data parallel GPU and on distributed architectures. With…

Mathematical Software · Computer Science 2013-01-10 Qi Hu , Nail A. Gumerov , Ramani Duraiswami

Vector operators based on robust order statistics have proved successful in digital multichannel imaging applications, particularly color image filtering and enhancement, in dealing with impulsive noise while preserving edges and fine image…

Computer Vision and Pattern Recognition · Computer Science 2010-09-07 M. Emre Celebi , Hassan A. Kingravi , Rastislav Lukac , Fatih Celiker

We consider the problem of minimizing a sum of several convex non-smooth functions. We introduce a new algorithm called the selective linearization method, which iteratively linearizes all but one of the functions and employs simple…

Optimization and Control · Mathematics 2016-08-16 Yu Du , Xiaodong Lin , Andrzej Ruszczynski

Vectorization via Single Instruction, Multiple Data (SIMD) architectures is a cornerstone of high-performance computing. To fully exploit hardware potential, developers often resort to explicit vectorization using intrinsics, as…

Computation and Language · Computer Science 2026-05-19 Shangzhan Li , Xinyu Yin , Xuanyu Jin , Ye He , Yuxin Zhou , Yuxuan Li , Xu Han , Wanxiang Che , Qi Shi , Ting Liu , Maosong Sun

Resource-limited robots face significant challenges in executing computationally intensive tasks, such as locomotion and manipulation, particularly for real-time optimal control algorithms like Model Predictive Control (MPC). This paper…

We present a mathematical framework for constructing and analyzing parallel algorithms for lattice Kinetic Monte Carlo (KMC) simulations. The resulting algorithms have the capacity to simulate a wide range of spatio-temporal scales in…

Numerical Analysis · Mathematics 2015-05-28 Giorgos Arampatzis , Markos A. Katsoulakis , Petr Plechac , Michela Taufer , Lifan Xu

We explore a general framework in Markov chain Monte Carlo (MCMC) sampling where sequential proposals are tried as a candidate for the next state of the Markov chain. This sequential-proposal framework can be applied to various existing…

Computation · Statistics 2019-08-21 Joonha Park , Yves F. Atchadé

Content-defined Chunking (CDC) algorithms dictate the overall space savings that deduplication systems achieve. However, due to their need to scan each file in its entirety, they are slow and often the main performance bottleneck within…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-01-28 Sreeharsha Udayashankar , Abdelrahman Baba , Samer Al-Kiswany

The paper introduces final state identification (synchronizing and homing) sequences for Timed Finite State Machines (TFSMs) with output delays and investigates their properties. We formally define the notions of homing sequences (HSs) and…

Formal Languages and Automata Theory · Computer Science 2025-10-08 Evgenii Vinarskii , Jakub Ruszil , Adam Roman , Natalia Kushik

Two characteristics that make convex decomposition algorithms attractive are simplicity of operations and generation of parallelizable structures. In principle, these schemes require that all coordinates update at the same time, i.e., they…

Optimization and Control · Mathematics 2018-03-07 Giorgos Stathopoulos , Colin N. Jones

Matrix Factorization (MF) on large scale matrices is computationally as well as memory intensive task. Alternative convergence techniques are needed when the size of the input matrix is higher than the available memory on a Central…

Machine Learning · Computer Science 2019-01-21 Prasad G Bhavana , Vineet C Nair

An increasing number of applications are exploiting sampling-based algorithms for planning, optimization, and inference. The Markov Chain Monte Carlo (MCMC) algorithms form the computational backbone of this emerging branch of machine…

Machine Learning · Computer Science 2025-07-18 Shirui Zhao , Jun Yin , Lingyun Yao , Martin Andraud , Wannes Meert , Marian Verhelst

With the rapid development of big data technologies, how to dig out useful information from massive data becomes an essential problem. However, using machine learning algorithms to analyze large data may be time-consuming and inefficient on…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-04-14 Jiajun Shen

Recently there have been exciting developments in Monte Carlo methods, with the development of new MCMC and sequential Monte Carlo (SMC) algorithms which are based on continuous-time, rather than discrete-time, Markov processes. This has…

Computation · Statistics 2020-09-29 Paul Fearnhead , Joris Bierkens , Murray Pollock , Gareth O Roberts

An efficient MCMC algorithm is presented to cluster the nodes of a network such that nodes with similar role in the network are clustered together. This is known as block-modelling or block-clustering. The model is the stochastic blockmodel…

Computation · Statistics 2012-11-09 Aaron F. McDaid , Thomas Brendan Murphy , Nial Friel , Neil J Hurley

Mixed-Criticality (MC) systems consolidate multiple functionalities with different criticalities onto a single hardware platform. Such systems improve the overall resource utilization while guaranteeing resources to critical tasks. In this…

Operating Systems · Computer Science 2020-03-13 Saravanan Ramanathan , Arvind Easwaran

This paper introduces a framework for speeding up Bayesian inference conducted in presence of large datasets. We design a Markov chain whose transition kernel uses an (unknown) fraction of (fixed size) of the available data that is randomly…

Methodology · Statistics 2018-06-01 Florian Maire , Nial Friel , Pierre Alquier

We introduce a high-performance virtual machine (VM) written in a numerically fast language like Fortran or C to evaluate very large expressions. We discuss the general concept of how to perform computations in terms of a VM and present…

Computational Physics · Physics 2015-09-22 Bijan Chokoufe Nejad , Thorsten Ohl , Jürgen Reuter

We construct a new framework for accelerating Markov chain Monte Carlo in posterior sampling problems where standard methods are limited by the computational cost of the likelihood, or of numerical models embedded therein. Our approach…

Methodology · Statistics 2017-01-06 Patrick R. Conrad , Youssef M. Marzouk , Natesh S. Pillai , Aaron Smith