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The atom graph of a graph is the graph whose vertices are the atoms obtained by clique minimal separator decomposition of this graph, and whose edges are the edges of all possible atom trees of this graph. We provide two efficient…

数据结构与算法 · 计算机科学 2016-07-12 Anne Berry , Geneviève Simonet

Machine learning has proven to be a valuable tool to approximate functions in high-dimensional spaces. Unfortunately, analysis of these models to extract the relevant physics is never as easy as applying machine learning to a large dataset…

材料科学 · 物理学 2020-05-06 Conrad W. Rosenbrock , Eric R. Homer , Gábor Csányi , Gus L. W. Hart

Developing robust representations of chemical structures that enable models to learn topological inductive biases is challenging. In this manuscript, we present a representation of atomistic systems. We begin by proving that our…

机器学习 · 计算机科学 2024-09-27 Rahul Khorana , Marcus Noack , Jin Qian

A fast algorithm for B-splines in mixed models is presented. B-splines have local support and are computational attractive, because the corresponding matrices are sparse. A key element of the new algorithm is that the local character of…

统计计算 · 统计学 2015-02-17 Martin P. Boer

We present an algorithm for generating all derivative superstructures--for arbitrary parent structures and for any number of atom types. This algorithm enumerates superlattices and atomic configurations in a geometry-independent way. The…

材料科学 · 物理学 2014-12-18 Gus L. W. Hart , Rodney W. Forcade

In this paper we consider polynomial representability of functions defined over $Z_{p^n}$, where $p$ is a prime and $n$ is a positive integer. Our aim is to provide an algorithmic characterization that (i) answers the decision problem: to…

符号计算 · 计算机科学 2015-02-16 Ashwin Guha , Ambedkar Dukkipati

Using a quantumlike description for light propagation in nonhomogeneous optical fibers, quantum information processing can be implemented by optical means. Quantum-like bits (qulbits) are associated to light modes in the optical fiber and…

量子物理 · 物理学 2009-11-07 M. A. Man'ko , V. I. Man'ko , R. Vilela Mendes

We analyse an implementation of a quantum computer using bosonic atoms in an optical lattice. We show that, even though the number of atoms per site and the tunneling rate between neighbouring sites is unknown, one may perform a universal…

量子物理 · 物理学 2015-06-26 J. J. Garcia-Ripoll , J. I. Cirac

Optics and photonics has recently captured interest as a platform to accelerate linear matrix processing, that has been deemed as a bottleneck in traditional digital electronic architectures. In this paper, we propose an all-photonic…

光学 · 物理学 2022-05-19 Jasvith Raj Basani , Mikkel Heuck , Dirk R. Englund , Stefan Krastanov

We propose a new polynomial-time algorithm for linear programming. We further extend the ideas used in this new linear programming algorithm for nonlinear programming problems. The new algorithm is based on the idea of treating the…

综合数学 · 数学 2019-03-14 Dhananjay P. Mehendale

Parametric linear systems are linear systems of equations in which some symbolic parameters, that is, symbols that are not considered to be candidates for elimination or solution in the course of analyzing the problem, appear in the…

Quantum computers are expected to be able to solve mathematical problems that cannot be solved using conventional computers. Many of these problems are of practical importance, especially in the areas of cryptography and secure…

量子物理 · 物理学 2007-05-23 T. B. Pittman , B. C. Jacobs , J. D. Franson

We train a model atom to recognize hand-written digits between 0 and 9, employing intense light--matter interaction as a computational resource. For training, individual images of hand-written digits in the range 0-9 are converted into…

原子物理 · 物理学 2024-03-19 Thomas Pfeifer , Matthias Wollenhaupt , Manfred Lein

Let $S$ be an elliptic surface over a smooth curve $C$ with a section $O$. We denote its generic fiber by $E_S$. For a divisor $D$ on $S$, we canonically associate a $C(C)$-rational point $P_D$. In this note, we give a description of $P_D$…

代数几何 · 数学 2018-02-20 Shinzo Bannai , Hiro-o Tokunaga

Packet reordering is an important property of network traffic that should be captured by analytical models of the Transmission Control Protocol (TCP). We study a combinatorial problem motivated by RESTORED, a TCP modeling methodology that…

数据结构与算法 · 计算机科学 2008-11-04 Anders Hansson , Gabriel Istrate

The ABCD matrix is one of the essential mathematical instruments in optics. It is the two-by-two representation of the group Sp(2), which is applicable to many branches of physics, including squeezed states of light, special relativity and…

光学 · 物理学 2009-11-06 S. Baskal , Y. S. Kim

A semiempirical parametric method is proposed for modeling three-dimensional (time-resolved) vibronic spectra of polyatomic molecules. The method is based on the use of the fragment approach in the formation of molecular models for excited…

化学物理 · 物理学 2007-05-23 S. A. Astakhov , V. I. Baranov

These course notes are about computing modular forms and some of their arithmetic properties. Their aim is to explain and prove the modular symbols algorithm in as elementary and as explicit terms as possible, and to enable the devoted…

数论 · 数学 2018-09-14 Gabor Wiese

We propose new quantum algorithms for estimating spectral sums of positive semi-definite (PSD) matrices. The spectral sum of an PSD matrix $A$, for a function $f$, is defined as $ \text{Tr}[f(A)] = \sum_j f(\lambda_j)$, where $\lambda_j$…

量子物理 · 物理学 2024-06-11 Alessandro Luongo , Changpeng Shao

We study a graph partitioning problem motivated by the simulation of the physical movement of multi-body systems on an atomistic level, where the forces are calculated from a quantum mechanical description of the electrons. Several advanced…