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The Random Phase Approximation (RPA) for correlation energy in the grid-based projector augmented wave (gpaw) code is accelerated by porting to the Graphics Processing Unit (GPU) architecture. The acceleration is achieved by grouping…

Computational Physics · Physics 2013-07-31 Jun Yan , Lin Li , Christopher O'Grady

We describe a novel algorithm for solving general parametric (nonlinear) eigenvalue problems. Our method has two steps: first, high-accuracy solutions of non-parametric versions of the problem are gathered at some values of the parameters;…

Numerical Analysis · Mathematics 2024-10-14 Davide Pradovera , Alessandro Borghi

We propose a new technique for constructing low-rank approximations of matrices that arise in kernel methods for machine learning. Our approach pairs a novel automatically constructed analytic expansion of the underlying kernel function…

Machine Learning · Computer Science 2022-02-09 John Paul Ryan , Anil Damle

The construction of operators and calculational methods for the determination of the N* spectrum are discussed. The masses of the parity partners of the nucleon and delta are computed from the O(a)-improved data of the UKQCD Collaboration,…

High Energy Physics - Lattice · Physics 2012-08-27 LHPC Collaboration , UKQCD Collaboration , D. G. Richards

Tamura coupling model has been extended to consider the coupling of additional low-lying rotational bands to the ground state band. Rotational bands are built on vibrational bandheads (even-even targets) or single particle bandheads…

Nuclear Theory · Physics 2017-07-05 E. Sh. Soukhovitskii , R. Capote , J. M. Quesada , S. Chiba , D. S. Martyanov

In this work, we discuss low-parametric approaches for approximating SimRank matrices, which estimate the similarity between pairs of nodes in a graph. Although SimRank matrices and their computation require a significant amount of memory,…

Numerical Analysis · Mathematics 2026-02-25 Egor P. Berezin , Robert T. Zaks , German Z. Alekhin , Stanislav V. Morozov , Sergey A. Matveev

We present a numerical solution of the parquet approximation (PA), a conserving diagrammatic approach which is self-consistent at both the single-particle and the two-particle levels. The fully irreducible vertex is approximated by the bare…

Strongly Correlated Electrons · Physics 2010-10-05 S. X. Yang , H. Fotso , J. Liu , T. A. Maier , K. Tomko , E. F. D'Azevedo , R. T. Scalettar , T. Pruschke , M. Jarrell

A fast algorithm for the approximate multiplication of matrices with decay is introduced; the Sparse Approximate Matrix Multiply (SpAMM) reduces complexity in the product space, a different approach from current methods that economize…

Data Structures and Algorithms · Computer Science 2010-11-17 Matt Challacombe , Nicolas Bock

We present an analytic proof demonstrating the equivalence between the Random Phase Approximation (RPA) to the ground state correlation energy and a ring-diagram simplification of the Coupled Cluster Doubles (CCD) equations. In the CCD…

Other Condensed Matter · Physics 2009-11-13 Gustavo E. Scuseria , Thomas M. Henderson , Danny C. Sorensen

We describe several algorithms for matrix completion and matrix approximation when only some of its entries are known. The approximation constraint can be any whose approximated solution is known for the full matrix. For low rank…

Numerical Analysis · Mathematics 2014-07-01 Gil Shabat , Yaniv Shmueli , Amir Averbuch

In this work we perform some mathematical analysis on non-negative matrix factorizations (NMF) and apply NMF to some imaging and inverse problems. We will propose a sparse low-rank approximation of big positive data and images in terms of…

Optimization and Control · Mathematics 2015-04-24 Yat Tin Chow , Kazufumi Ito , Jun Zou

The efficiency of dipole-dipole coupling driven coherence transfer experiments in solid-state NMR spectroscopy of powder samples is limited by dispersion of the orientation of the internuclear vectors relative to the external magnetic…

Quantum Physics · Physics 2009-11-13 N. Khaneja , C. Kehlet , S. J. Glaser , N. C. Nielsen

Pairing correlations in symmetric nuclear matter are studied within a relativistic mean-field approximation based on a field theory of nucleons coupled to neutral ($\sigma$ and $\omega$) and to charged ($\varrho$) mesons. The Hartree-Fock…

Nuclear Theory · Physics 2016-09-08 F. Matera , G. Fabbri , A. Dellafiore

Tensors with finite correlation afford very compact tensor network representations. A novel tensor network-based decomposition of real-time path integral simulations involving Feynman-Vernon influence functional is introduced. In this…

Chemical Physics · Physics 2023-03-23 Amartya Bose , Peter L. Walters

In this paper, we develop a parameterized proximal point algorithm (P-PPA) for solving a class of separable convex programming problems subject to linear and convex constraints. The proposed algorithm is provable to be globally convergent…

Optimization and Control · Mathematics 2018-12-11 Jianchao Bai , Hongchao Zhang , Jicheng Li

We present a fast algorithm for approximate Canonical Correlation Analysis (CCA). Given a pair of tall-and-thin matrices, the proposed algorithm first employs a randomized dimensionality reduction transform to reduce the size of the input…

Data Structures and Algorithms · Computer Science 2013-05-03 Haim Avron , Christos Boutsidis , Sivan Toledo , Anastasios Zouzias

The progress in two-dimensional materials has led to rapid experimental developments in quantum plasmonics, where light is manipulated using plasmons. Although numerical methods can be used to quantitatively describe plasmons in spatially…

Mesoscale and Nanoscale Physics · Physics 2023-08-15 T. M. Koskamp , M. I. Katsnelson , K. J. A. Reijnders

Recent work has sought to understand the behavior of neural networks by comparing representations between layers and between different trained models. We examine methods for comparing neural network representations based on canonical…

Machine Learning · Computer Science 2019-07-22 Simon Kornblith , Mohammad Norouzi , Honglak Lee , Geoffrey Hinton

We describe a general approach for computing generators for elimination ideals associated with matrix and hypermatrix spectral decomposition constraints. We derive from these generators iterative procedures for approximating the spectral…

Spectral Theory · Mathematics 2015-03-24 Edinah K. Gnang

Parametric two-electron reduced-density-matrix (p-2RDM) methods have enjoyed much success in recent years; the methods have been shown to exhibit accuracies greater than coupled cluster with single and double substitutions (CCSD) for both…

Chemical Physics · Physics 2010-09-02 A. Eugene DePrince , David A. Mazziotti
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