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In this article we present an algorithm to efficiently evaluate the exchange matrix in periodic systems when Gaussian basis set with pseudopotentials are used. The usual algorithm for evaluating exchange matrix scales cubically with the…

强关联电子 · 物理学 2022-11-11 Sandeep Sharma , Alec F. White , Gregory Beylkin

The self-consistent procedure in electronic structure calculations is revisited using a highly efficient and robust algorithm for solving the non-linear eigenvector problem i.e. H({{\psi}}){\psi} = E{\psi}. This new scheme is derived from a…

计算物理 · 物理学 2015-06-12 Brendan Gavin , Eric Polizzi

Most quantum algorithms that give an exponential speedup over classical algorithms exploit the Fourier transform in some way. In Shor's algorithm, sampling from the quantum Fourier spectrum is used to discover periodicity of the modular…

量子物理 · 物理学 2015-05-14 Martin Roetteler

Quantum mechanics requires the operation of quantum computers to be unitary, and thus makes it important to have general techniques for developing fast quantum algorithms for computing unitary transforms. A quantum routine for computing a…

量子物理 · 物理学 2007-05-23 Peter Hoyer

We present a novel methodology for the numerical solution of problems of diffraction by infinitely thin screens in three dimensional space. Our approach relies on new integral formulations as well as associated high-order quadrature rules.…

偏微分方程分析 · 数学 2015-06-11 Oscar P. Bruno , Stephane K. Lintner

We introduce the concept of strong high-order approximate minimizers for nonconvex optimization problems. These apply in both standard smooth and composite non-smooth settings, and additionally allow convex or inexpensive constraints. An…

最优化与控制 · 数学 2020-01-30 Coralia Cartis , Nick Gould , Philippe L. Toint

This paper presents two new augmented flexible (AF)-Krylov subspace methods, AF-GMRES and AF-LSQR, to compute solutions of large-scale linear discrete ill-posed problems that can be modeled as the sum of two independent random variables,…

数值分析 · 数学 2023-10-10 Malena Sabate Landman , Jiahua Jiang , Jianru Zhang , Wuwei Ren

(Abridged abstract.) In this thesis we introduce new models of quantum computation to study the emergence of quantum speed-up in quantum computer algorithms. Our first contribution is a formalism of restricted quantum operations, named…

量子物理 · 物理学 2016-11-29 Juan Bermejo-Vega

This paper focuses on regularisation methods using models up to the third order to search for up to second-order critical points of a finite-sum minimisation problem. The variant presented belongs to the framework of [3]: it employs random…

数值分析 · 数学 2021-04-05 Stefania Bellavia , Gianmarco Gurioli , Benedetta Morini , Philippe L. Toint

The quantum Fourier transform (QFT) is the principal algorithmic tool underlying most efficient quantum algorithms. We present a generic framework for the construction of efficient quantum circuits for the QFT by ``quantizing'' the…

量子物理 · 物理学 2007-05-23 Cristopher Moore , Daniel Rockmore , Alexander Russell

Recent progress in synthetic aperture sonar (SAS) technology and processing has led to significant advances in underwater imaging, outperforming previously common approaches in both accuracy and efficiency. There are, however, inherent…

数值分析 · 数学 2017-06-28 John McKay , Anne Gelb , Vishal Monga , Raghu Raj

Many known models, which generally use a factorization hypothesis, give a poor account of the decays B into J/psi + K(*). Usually there is a free overall factor, which is fit to the data, so that tests of the models rely upon ratios. The…

高能物理 - 唯象学 · 物理学 2009-09-25 Carl E. Carlson , J. Milana

The ultimate objective of this paper is to create a stepping stone to the development of new quantum algorithms. The strategy chosen is to begin by focusing on the class of abelian quantum hidden subgroup algorithms, i.e., the class of…

量子物理 · 物理学 2012-08-27 Samuel J. Lomonaco, , Louis H. Kauffman

Despite the successful enhancement to the Harrow-Hassidim-Lloyd algorithm by Childs et al., who introduced the Fourier approach leveraging linear combinations of unitary operators, our research has identified non-trivial redundancies within…

量子物理 · 物理学 2024-05-13 Rui-Bin Xu , Zhu-Jun Zheng , Zheng Zheng

We introduce Scale Factorized-Quantum Field Theory (SF-QFT), a framework performing path-integral factorization of ultraviolet and infrared momentum modes at a physical scale $Q^*$ before perturbative expansion through Effective Dynamical…

高能物理 - 唯象学 · 物理学 2026-03-23 Farrukh A. Chishtie

We present a new algorithm to decompose generic spinor polynomials into linear factors. Spinor polynomials are certain polynomials with coefficients in the geometric algebra of dimension three that parametrize rational conformal motions.…

环与代数 · 数学 2023-11-14 Zijia Li , Hans-Peter Schröcker , Johannes Siegele

Tuning scientific and probabilistic machine learning models $-$ for example, partial differential equations, Gaussian processes, or Bayesian neural networks $-$ often relies on evaluating functions of matrices whose size grows with the data…

机器学习 · 计算机科学 2024-10-28 Nicholas Krämer , Pablo Moreno-Muñoz , Hrittik Roy , Søren Hauberg

Function secret sharing (FSS) scheme is a mechanism that calculates a function f(x) for x in {0,1}^n which is shared among p parties, by using distributed functions f_i:{0,1}^n -> G, where G is an Abelian group, while the function f:{0,1}^n…

密码学与安全 · 计算机科学 2017-12-05 Takeshi Koshiba

Folded Reed-Solomon (FRS) codes are a well-studied family of codes, known for achieving list decoding capacity. In this work, we give improved deterministic and randomized algorithms for list decoding FRS codes of rate $R$ up to radius…

信息论 · 计算机科学 2025-08-22 Vikrant Ashvinkumar , Mursalin Habib , Shashank Srivastava

The fake supergravity method is applied to 5-dimensional asymptotically AdS spacetimes containing gravity coupled to a real scalar and an abelian gauge field. The motivation is to obtain bulk solutions with R x S^3 symmetry in order to…

高能物理 - 理论 · 物理学 2009-10-08 Henriette Elvang , Daniel Z. Freedman , Hong Liu