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We consider the sampling of the coupled cluster expansion within stochastic coupled cluster theory. Observing the limitations of previous approaches due to the inherently non-linear behaviour of a coupled cluster wavefunction representation…

Chemical Physics · Physics 2018-08-14 Charles J. C. Scott , Alex J. W. Thom

This paper generalizes stochastic collocation methods to handle correlated non-Gaussian random parameters. The key challenge is to perform a multivariate numerical integration in a correlated parameter space when computing the coefficient…

Numerical Analysis · Computer Science 2018-08-28 Chunfeng Cui , Zheng Zhang

Matched filtering is a traditional method used to search a data stream for signals. If the source (and hence its $n$ parameters) are unknown, many filters must be employed. These form a grid in the $n$-dimensional parameter space, known as…

Instrumentation and Methods for Astrophysics · Physics 2022-01-12 Bruce Allen , Andrey A. Shoom

Spatial approximations have been traditionally used in spatial databases to accelerate the processing of complex geometric operations. However, approximations are typically only used in a first filtering step to determine a set of candidate…

Determination of design parameters based on electromagnetic simulations of microwave circuits is an iterative and often time-consuming procedure. Space mapping is a powerful technique to optimize such complex models by efficiently…

Other Computer Science · Computer Science 2010-04-27 Saeed Tavakoli , Mahdieh Zeinadini , Shahram Mohanna

In this paper, we introduce an efficient, linear algebra-based method for optimizing supercell selection to determine Heisenberg exchange parameters from DFT calculations. A widely used approach for deriving these parameters involves…

Materials Science · Physics 2025-04-24 Mojtaba Alaei , Artem R. Oganov

This paper addresses matrix approximation problems for matrices that are large, sparse and/or that are representations of large graphs. To tackle these problems, we consider algorithms that are based primarily on coarsening techniques,…

Numerical Analysis · Computer Science 2018-10-03 Shashanka Ubaru , Yousef Saad

Matrix multiplication is a fundamental building block for large scale computations arising in various applications, including machine learning. There has been significant recent interest in using coding to speed up distributed matrix…

Information Theory · Computer Science 2019-05-17 Wei-Ting Chang , Ravi Tandon

The challenging problem of conducting fully Bayesian inference for the reaction rate constants governing stochastic kinetic models (SKMs) is considered. Given the challenges underlying this problem, the Markov jump process representation is…

Computation · Statistics 2019-01-10 Andrew Golightly , Emma Bradley , Tom Lowe , Colin S. Gillespie

We consider the Stochastic Matching problem, which is motivated by applications in kidney exchange and online dating. In this problem, we are given an undirected graph. Each edge is assigned a known, independent probability of existence and…

Data Structures and Algorithms · Computer Science 2020-10-19 Marek Adamczyk , Brian Brubach , Fabrizio Grandoni , Karthik A. Sankararaman , Aravind Srinivasan , Pan Xu

This paper addresses the task of estimating a covariance matrix under a patternless sparsity assumption. In contrast to existing approaches based on thresholding or shrinkage penalties, we propose a likelihood-based method that regularizes…

Methodology · Statistics 2021-09-13 Jason Xu , Kenneth Lange

We consider computing eigenspaces of an elliptic self-adjoint operator depending on a countable number of parameters in an affine fashion. The eigenspaces of interest are assumed to be isolated in the sense that the corresponding…

Numerical Analysis · Mathematics 2021-03-16 Luka Grubišić , Harri Hakula , Mikael Laaksonen

Classification in the dissimilarity space has become a very active research area since it provides a possibility to learn from data given in the form of pairwise non-metric dissimilarities, which otherwise would be difficult to cope with.…

All-sky, broadband, coherent searches for gravitational-wave pulsars are restricted by limited computational resources. Minimizing the number of templates required to cover the search parameter space, of sky position and frequency…

General Relativity and Quantum Cosmology · Physics 2015-01-05 Karl Wette

We present a novel method to significantly speed up cosmological parameter sampling. The method relies on constructing an interpolation of the CMB-log-likelihood based on sparse grids, which is used as a shortcut for the…

Cosmology and Nongalactic Astrophysics · Physics 2015-05-18 Mona Frommert , Dirk Pflueger , Thomas Riller , Martin Reinecke , Hans-Joachim Bungartz , Torsten Ensslin

One strategy for reducing the online computational cost of matched-filter searches for gravitational waves is to introduce a compressed basis for the waveform template bank in a grid-based search. In this paper, we propose and investigate…

Instrumentation and Methods for Astrophysics · Physics 2016-06-03 Alvin J. K. Chua , Jonathan R. Gair

A number of problems in a variety of fields are characterised by target distributions with a multimodal structure in which the presence of several isolated local maxima dramatically reduces the efficiency of Markov Chain Monte Carlo…

Methodology · Statistics 2009-07-31 Miquel Trias , Alberto Vecchio , John Veitch

We propose a new antenna selection scheme for a massive MIMO system with a single user terminal and a base station with a large number of antennas. We consider a practical scenario where there is a realistic correlation among the antennas…

Information Theory · Computer Science 2015-07-09 De Mi , Mehrdad Dianati , Sami Muhaidat , Yan Chen

The computational efficiency of stochastic simulation algorithms is notoriously limited by the kinetic trapping of the simulated trajectories within low energy basins. Here we present a new method that overcomes kinetic trapping while still…

Statistical Mechanics · Physics 2014-12-08 Manuel Athènes , Vasily V. Bulatov

We show that it is feasible to carry out exact Bayesian inference for non-Gaussian state space models using an adaptive Metropolis Hastings sampling scheme with the likelihood approximated by the particle filter. Furthermore, an adapyive…

Computation · Statistics 2009-11-03 Ralph Silva , Paolo Giordani , Robert Kohn , Mike Pitt