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In many problems in Computational Physics and Chemistry, one finds a special kind of sparse matrices, termed "banded matrices". These matrices, which are defined as having non-zero entries only within a given distance from the main…

Computational Physics · Physics 2013-06-21 Pablo García-Risueño , Pablo Echenique

This position paper summarizes a recently developed research program focused on inference in the context of data centric science and engineering applications, and forecasts its trajectory forward over the next decade. Often one endeavours…

Computation · Statistics 2021-12-06 Ajay Jasra , Kody J. H. Law , Alexander Tarakanov , Fangyuan Yu

Parallel dataflow systems are a central part of most analytic pipelines for big data. The iterative nature of many analysis and machine learning algorithms, however, is still a challenge for current systems. While certain types of bulk…

Databases · Computer Science 2012-08-02 Stephan Ewen , Kostas Tzoumas , Moritz Kaufmann , Volker Markl

In the Bayesian approach to inverse problems, data are often informative, relative to the prior, only on a low-dimensional subspace of the parameter space. Significant computational savings can be achieved by using this subspace to…

Numerical Analysis · Mathematics 2015-07-07 Alessio Spantini , Antti Solonen , Tiangang Cui , James Martin , Luis Tenorio , Youssef Marzouk

Gaussian process (GP) regression is a powerful probabilistic modeling technique with built-in uncertainty quantification. When one has access to multiple correlated simulations (tasks), it is common to fit a multitask GP (MTGP) surrogate…

Computation · Statistics 2026-03-18 Aleksei G. Sorokin , Pieterjan Robbe , Fred J. Hickernell

This paper proposes a combination of a hybrid CPU--GPU and a pure GPU software implementation of a direct algorithm for solving shifted linear systems $(A - \sigma I)X = B$ with large number of complex shifts $\sigma$ and multiple…

Mathematical Software · Computer Science 2017-08-24 Nela Bosner , Zvonimir Bujanović , Zlatko Drmač

Machine learning models, and deep neural networks in particular, are increasingly deployed in risk-sensitive domains such as healthcare, environmental forecasting, and finance, where reliable quantification of predictive uncertainty is…

Machine Learning · Computer Science 2026-04-07 Asena Karolin Özdemir , Lars H. Heyen , Arvid Weyrauch , Achim Streit , Markus Götz , Charlotte Debus

Specialized function gradient computing hardware could greatly improve the performance of state-of-the-art optimization algorithms, e.g., based on gradient descent or conjugate gradient methods that are at the core of control, machine…

All-pairs similarity problem asks to find all vector pairs in a set of vectors the similarities of which surpass a given similarity threshold, and it is a computational kernel in data mining and information retrieval for several tasks. We…

Information Retrieval · Computer Science 2014-02-14 Eray Özkural , Cevdet Aykanat

Parametric linear programming is central in polyhedral computations and in certain control applications.We propose a task-based scheme for parallelizing it, with quasi-linear speedup over large problems.

Distributed, Parallel, and Cluster Computing · Computer Science 2019-04-15 Camille Coti , David Monniaux , Hang Yu

In this paper, we describe efficient MapReduce simulations of parallel algorithms specified in the BSP and PRAM models. We also provide some applications of these simulation results to problems in parallel computational geometry for the…

Data Structures and Algorithms · Computer Science 2015-03-14 Michael T. Goodrich

This article introduces a highly parallel algorithm for molecular dynamics simulations with short-range forces on single node multi- and many-core systems. The algorithm is designed to achieve high parallel speedups for strongly…

Computational Physics · Physics 2013-11-20 R. Meyer

Shuffling is the process of rearranging a sequence of elements into a random order such that any permutation occurs with equal probability. It is an important building block in a plethora of techniques used in virtually all scientific…

Data Structures and Algorithms · Computer Science 2023-02-08 Manuel Penschuck

Diagonalization of a large matrix is the computational bottleneck in many applications such as electronic structure calculations. We show that a speedup of over 30% can be achieved by exploiting 32-bit floating point operations, while…

Computational Physics · Physics 2011-08-24 Eiji Tsuchida , Yoong-Kee Choe

As computer clusters become more common and the size of the problems encountered in the field of AI grows, there is an increasing demand for efficient parallel inference algorithms. We consider the problem of parallel inference on large…

Artificial Intelligence · Computer Science 2012-05-14 Joseph E. Gonzalez , Yucheng Low , Carlos E. Guestrin , David O'Hallaron

To speed up Gaussian process inference, a number of fast kernel matrix-vector multiplication (MVM) approximation algorithms have been proposed over the years. In this paper, we establish an exact fast kernel MVM algorithm based on exact…

Machine Learning · Statistics 2025-08-05 Nicolas Langrené , Xavier Warin , Pierre Gruet

In this paper, we consider the problem of stochastic optimization, where the objective function is in terms of the expectation of a (possibly non-convex) cost function that is parametrized by a random variable. While the convergence speed…

Information Theory · Computer Science 2019-10-23 Naeimeh Omidvar , An Liu , Vincent Lau , Danny H. K. Tsang , Mohammad Reza Pakravan

Large machine learning models are revolutionary technologies of artificial intelligence whose bottlenecks include huge computational expenses, power, and time used both in the pre-training and fine-tuning process. In this work, we show that…

Quantum Physics · Physics 2024-01-15 Junyu Liu , Minzhao Liu , Jin-Peng Liu , Ziyu Ye , Yunfei Wang , Yuri Alexeev , Jens Eisert , Liang Jiang

Standard gradient-based iteration algorithms for optimization, such as gradient descent and its various proximal-based extensions to nonsmooth problems, are known to converge slowly for ill-conditioned problems, sometimes requiring many…

Numerical Analysis · Mathematics 2026-03-24 G. H. M. Araújo , O. A. Krzysik , H. De Sterck

We propose an algorithm for generating explicit solutions of multiparametric mixed-integer convex programs to within a given suboptimality tolerance. The algorithm is applicable to a very general class of optimization problems, but is most…

Optimization and Control · Mathematics 2019-06-12 Danylo Malyuta , Behcet Acikmese