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Related papers: O(N) methods in electronic structure calculations

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We present an $O(mn)$ direct least-squares solver for $m \times n$ linear systems with a scaled partial isometry. The proposed algorithm is also useful when the system is block diagonal and each block is a scaled partial isometry with…

Numerical Analysis · Mathematics 2025-07-03 Suvendu Kar , Murugesan Venkatapathi

System-level design, once the province of board designers, has now become a central concern for chip designers. Because chip design is a less forgiving design medium -- design cycles are longer and mistakes are harder to correct --…

Hardware Architecture · Computer Science 2025-07-15 Shuvra S. Bhattacharyya , Marilyn Wolf

Computation of biological processes creates great promise for everyday life and great challenges for physical scientists. Simulations of molecular dynamics appeal to biologists as a natural extension of structural biology. Once biologists…

Biomolecules · Quantitative Biology 2019-03-05 Bob Eisenberg

Pattern matching is a fundamental process in almost every scientific domain. The problem involves finding the positions of a given pattern (usually of short length) in a reference stream of data (usually of large length). The matching can…

Data Structures and Algorithms · Computer Science 2022-07-01 Anas Al-okaily , Abdelghani Tbakhi

Quantization can be used to form new vectors/matrices with shared values close to the original. In recent years, the popularity of scalar quantization for value-sharing applications has been soaring as it has been found huge utilities in…

Machine Learning · Computer Science 2019-12-11 Chen Wang , Xiaomei Yang , Shaomin Fei , Kai Zhou , Xiaofeng Gong , Miao Du , Ruisen Luo

The simulation of large nonlinear dynamical systems, including systems generated by discretization of hyperbolic partial differential equations, can be computationally demanding. Such systems are important in both fluid and kinetic…

Plasma Physics · Physics 2021-06-14 Alexander Engel , Graeme Smith , Scott E. Parker

With the recent popularity of graphical clustering methods, there has been an increased focus on the information between samples. We show how learning cluster structure using edge features naturally and simultaneously determines the most…

Machine Learning · Statistics 2016-05-09 Matt Barnes , Artur Dubrawski

Nanometer scale electronics present a challenge for the computer architect. These quantum devices have small gain and are difficult to interconnect. I have analyzed current device capabilities and explored two general design requirements…

Condensed Matter · Physics 2008-02-03 Ronnie Mainieri

Locality is a fundamental principle used extensively in program and system optimization. It can be measured in many ways. This paper formalizes the metrics of locality into a measurement theory. The new theory includes the precise…

Performance · Computer Science 2018-04-17 Liang Yuan , Chen Ding , Peter Denning , Yunquan Zhang

We address binary classification using neural ordinary differential equations from the perspective of simultaneous control of $N$ data points. We consider a single-neuron architecture with parameters fixed as piecewise constant functions of…

Optimization and Control · Mathematics 2025-04-18 Antonio Álvarez-López , Rafael Orive-Illera , Enrique Zuazua

We develop a novel optical neural network (ONN) framework which introduces a degree of scalar invariance to image classification estima- tion. Taking a hint from the human eye, which has higher resolution near the center of the retina,…

Computer Vision and Pattern Recognition · Computer Science 2018-05-30 Grant Fennessy , Yevgeniy Vorobeychik

We have reformulated the quantum Monte Carlo (QMC) technique so that a large part of the calculation scales linearly with the number of atoms. The reformulation is related to a recent alternative proposal for achieving linear-scaling QMC,…

Other Condensed Matter · Physics 2016-08-31 D. Alfe` , M. J. Gillan

A detailed investigation of the scaling properties of the fully finite ${\cal O}(n)$ systems with long-range interaction, decaying algebraically with the interparticle distance $r$ like $r^{-d-\sigma}$, below their upper critical dimension…

Statistical Mechanics · Physics 2009-10-31 H. Chamati , N. S. Tonchev

Strong multiple scattering of the probe in scanning transmission electron microscopy (STEM) means image simulations are usually required for quantitative interpretation and analysis of elemental maps produced by electron energy-loss…

Materials Science · Physics 2019-12-25 Hamish G. Brown , Jim Ciston , Colin Ophus

Here we describe an approach for simulating electronic structure on quantum computers with significantly lower asymptotic complexity than prior work. The approach uses a real-space first-quantised representation of the molecular Hamiltonian…

Given an input $x$, and a search problem $F$, local computation algorithms (LCAs) implement access to specified locations of $y$ in a legal output $y \in F(x)$, using polylogarithmic time and space. Mansour et al., (2012), had previously…

Data Structures and Algorithms · Computer Science 2014-04-23 Omer Reingold , Shai Vardi

Subspace clustering algorithms are notorious for their scalability issues because building and processing large affinity matrices are demanding. In this paper, we introduce a method that simultaneously learns an embedding space along…

Computer Vision and Pattern Recognition · Computer Science 2018-11-06 Tong Zhang , Pan Ji , Mehrtash Harandi , Richard Hartley , Ian Reid

Structural plasticity of the brain describes the creation of new and the deletion of old synapses over time. Rinke et al. (JPDC 2018) introduced a scalable algorithm that simulates structural plasticity for up to one billion neurons on…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-11-03 Fabian Czappa , Alexander Geiß , Felix Wolf

This paper presents an implementation of multilayer feed forward neural networks (NN) to optimize CMOS analog circuits. For modeling and design recently neural network computational modules have got acceptance as an unorthodox and useful…

Neural and Evolutionary Computing · Computer Science 2012-12-13 Mriganka Chakraborty

Linear optics with photon counting is a prominent candidate for practical quantum computing. The protocol by Knill, Laflamme, and Milburn [Nature 409, 46 (2001)] explicitly demonstrates that efficient scalable quantum computing with single…

Quantum Physics · Physics 2007-05-23 Pieter Kok , W. J. Munro , Kae Nemoto , T. C. Ralph , Jonathan P. Dowling , G. J. Milburn