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An efficient algorithm for time propagation of the time-dependent Kohn-Sham equations is presented. The algorithm is based on dividing the Hamiltonian into small time steps and assuming that it is constant over these steps. This allows for…

Computational Physics · Physics 2014-12-03 J. K. Dewhurst , K. Krieger , S. Sharma , E. K. U. Gross

Hybrid density-functional calculation is one of the most commonly adopted electronic structure theory used in computational chemistry and materials science because of its balance between accuracy and computational cost. Recently, we have…

Computational Physics · Physics 2020-09-09 Xinming Qin , Honghui Shang , Lei Xu , Wei Hu , Jinlong Yang , Shigang Li , Yunquan Zhang

Sampling from complicated probability distributions is a hard computational problem arising in many fields, including statistical physics, optimization, and machine learning. Quantum computers have recently been used to sample from…

We introduce and analyse a new, extremely simple, randomised sorting algorithm: - choose a pair of indices $\{i, j\}$ according to some distribution $q$; - sort the elements in positions $i$ and $j$ of the array in ascending order. Choosing…

Data Structures and Algorithms · Computer Science 2025-02-10 Sam Olesker-Taylor

We take an existing implementation of an algorithm for the maximum clique problem and modify it so that we can distribute it over an ad-hoc cluster of machines. Our goal was to achieve a significant speedup in performance with minimal…

Data Structures and Algorithms · Computer Science 2013-03-22 Ciaran McCreesh , Patrick Prosser

Variational quantum algorithms, which have risen to prominence in the noisy intermediate-scale quantum setting, require the implementation of a stochastic optimizer on classical hardware. To date, most research has employed algorithms based…

Quantum Physics · Physics 2023-03-22 Matt Menickelly , Yunsoo Ha , Matthew Otten

Skyline queries are important in many application domains. In this paper, we propose a novel structure Skyline Diagram, which given a set of points, partitions the plane into a set of regions, referred to as skyline polyominos. All query…

Databases · Computer Science 2018-12-06 Jinfei Liu , Juncheng Yang , Li Xiong , Jian Pei , Jun Luo , Yuzhang Guo , Shuaicheng Ma , Chenglin Fan

Edge-centric distributed computations have appeared as a recent technique to improve the shortcomings of think-like-a-vertex algorithms on large scale-free networks. In order to increase parallelism on this model, edge partitioning -…

Data Structures and Algorithms · Computer Science 2018-10-12 Sebastian Schlag , Christian Schulz , Daniel Seemaier , Darren Strash

This paper proposes a new class of simple, distributed algorithms for scheduling in wireless networks. The algorithms generate new schedules in a distributed manner via simple local changes to existing schedules. The class is parameterized…

Networking and Internet Architecture · Computer Science 2007-05-23 Sujay Sanghavi , Loc Bui , R. Srikant

We study the impact of quantum computation on the fundamental problem of testing the property of distributions. In particular, we focus on testing whether two unknown classical distributions are close or far enough, and propose the…

Quantum Physics · Physics 2023-02-14 Lvzhou Li , Jingquan Luo

In this work, we present an algorithm for the design of $n\times n$-bits substitution boxes (S-boxes) based on time series of a discrete dynamical system with chaotic behavior. The elements of a $n\times n$-bits substitution box are given…

Dynamical Systems · Mathematics 2019-02-19 B. B. Cassal-Quiroga , E. Campos-Cantón

We consider a numerical scheme for Hamilton-Jacobi equations based on a direct discretization of the Lax-Oleinik semi-group. We prove that this method is convergent with respect to the time and space stepsizes provided the solution is…

Numerical Analysis · Mathematics 2013-12-06 Anne Bouillard , Erwan Faou , Maxime Zavidovique

Sample- and computationally-efficient distribution estimation is a fundamental tenet in statistics and machine learning. We present SURF, an algorithm for approximating distributions by piecewise polynomials. SURF is: simple, replacing…

Machine Learning · Statistics 2021-02-15 Yi Hao , Ayush Jain , Alon Orlitsky , Vaishakh Ravindrakumar

Sampling from probability distributions of quantum circuits is a fundamentally and practically important task which can be used to demonstrate quantum supremacy using noisy intermediate-scale quantum devices. In the present work, we examine…

Quantum Physics · Physics 2022-08-29 Changhun Oh , Youngrong Lim , Bill Fefferman , Liang Jiang

In this note, we develop a novel algorithm for generating random numbers from a distribution with a probability density function proportional to $\sin^k(x)$, $x \in (0,\pi)$ and $k \geq 1$. Our algorithm is highly efficient and is based on…

Computation · Statistics 2018-11-22 Enes Makalic , Daniel F. Schmidt

A class of counting problems ask for the number of regions of a central hyperplane arrangement. By duality, this is the same as counting the vertices of a zonotope. We give several efficient algorithms, based on a linear optimization…

Combinatorics · Mathematics 2021-12-15 Antoine Deza , Lionel Pournin

The aim of this paper is to present a first evaluation of a dynamic partition strategy associated to the recently proposed asynchronous distributed computation scheme based on the D-iteration approach. The D-iteration is a fluid diffusion…

Distributed, Parallel, and Cluster Computing · Computer Science 2012-03-13 Dohy Hong

There exist several methods of calculating a similarity curve, or a sequence of similarity values, representing the lexical cohesion of successive text constituents, e.g., paragraphs. Methods for deciding the locations of fragment…

Computation and Language · Computer Science 2007-05-23 Oskari Heinonen

We present an acceleration method for sequences of large-scale linear systems, such as the ones arising from the numerical solution of time-dependent partial differential equations coupled with algebraic constraints. We discuss different…

Numerical Analysis · Mathematics 2024-03-29 Margherita Guido , Daniel Kressner , Paolo Ricci

Given a blackbox for f, a smooth real scalar function of d real variables, one wants to estimate the gradient of f at a given point with n bits of precision. On a classical computer this requires a minimum of d+1 blackbox queries, whereas…

Quantum Physics · Physics 2013-05-29 Stephen P. Jordan
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