Structured Quasi-Newton Methods for Optimization with Orthogonality Constraints

DOI10.1137/18M121112XzbMath1431.65085arXiv1809.00452OpenAlexW2892037488WikidataQ127460253 ScholiaQ127460253MaRDI QIDQ5230652

ZaiWen Wen, Jiang Hu, Lin Lin, Bo Jiang, Ya-Xiang Yuan

Publication date: 28 August 2019

Published in: SIAM Journal on Scientific Computing (Search for Journal in Brave)

Full work available at URL: https://arxiv.org/abs/1809.00452

zbMATH Keywords

optimization with orthogonality constraintsstructured quasi-Newton methodHartree-Fock total energy minimizationlimited-memory Nystrom approximation

Mathematics Subject Classification ID

Numerical mathematical programming methods (65K05) Nonconvex programming, global optimization (90C26) Nonlinear programming (90C30) Methods of quasi-Newton type (90C53)

Related Items (9)

Geometric Inexact Newton Method for Generalized Singular Values of Grassmann Matrix Pair ⋮ A communication-efficient and privacy-aware distributed algorithm for sparse PCA ⋮ A Block Lanczos Method for Large-Scale Quadratic Minimization Problems with Orthogonality Constraints ⋮ An exact penalty approach for optimization with nonnegative orthogonality constraints ⋮ KSSOLV 2.0: an efficient Matlab toolbox for solving the Kohn-Sham equations with plane-wave basis set ⋮ A brief introduction to manifold optimization ⋮ Numerical methods for Kohn–Sham density functional theory ⋮ Global convergence of Riemannian line search methods with a Zhang-Hager-type condition ⋮ Equipping the Barzilai--Borwein Method with the Two Dimensional Quadratic Termination Property

Uses Software

• Quantum Espresso
• KSSOLV
• Manopt
• lobpcg.m
• ROPTLIB

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