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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…

Strongly Correlated Electrons · Physics 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…

Computational Physics · Physics 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…

Quantum Physics · Physics 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…

Quantum Physics · Physics 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.…

Analysis of PDEs · Mathematics 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…

Optimization and Control · Mathematics 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,…

Numerical Analysis · Mathematics 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…

Quantum Physics · Physics 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…

Numerical Analysis · Mathematics 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…

Quantum Physics · Physics 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…

Numerical Analysis · Mathematics 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…

High Energy Physics - Phenomenology · Physics 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…

Quantum Physics · Physics 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…

Quantum Physics · Physics 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…

High Energy Physics - Phenomenology · Physics 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.…

Rings and Algebras · Mathematics 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…

Machine Learning · Computer Science 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…

Cryptography and Security · Computer Science 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…

Information Theory · Computer Science 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…

High Energy Physics - Theory · Physics 2009-10-08 Henriette Elvang , Daniel Z. Freedman , Hong Liu