Computation of ground states of the Gross-Pitaevskii functional via Riemannian optimization
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Publication:4595778
Gross-Pitaevskii functionalRiemannian optimizationBose-Einstein condensateconjugate gradientsSobolev gradients
Nonlinear programming (90C30) Methods of quasi-Newton type (90C53) NLS equations (nonlinear Schrödinger equations) (35Q55) Discrete version of topics in analysis (39A12) Numerical solutions to equations with nonlinear operators (65J15) Many-body theory; quantum Hall effect (81V70) Phase transitions (general) in equilibrium statistical mechanics (82B26) Renormalization group methods in equilibrium statistical mechanics (82B28) Statistical mechanics of gases (82D05) Applications of functional analysis in numerical analysis (46N40)
Abstract: In this paper we combine concepts from Riemannian Optimization and the theory of Sobolev gradients to derive a new conjugate gradient method for direct minimization of the Gross-Pitaevskii energy functional with rotation. The conservation of the number of particles constrains the minimizers to lie on a manifold corresponding to the unit norm. The idea developed here is to transform the original constrained optimization problem to an unconstrained problem on this (spherical) Riemannian manifold, so that fast minimization algorithms can be applied as alternatives to more standard constrained formulations. First, we obtain Sobolev gradients using an equivalent definition of an inner product which takes into account rotation. Then, the Riemannian gradient (RG) steepest descent method is derived based on projected gradients and retraction of an intermediate solution back to the constraint manifold. Finally, we use the concept of the Riemannian vector transport to propose a Riemannian conjugate gradient (RCG) method for this problem. It is derived at the continuous level based on the "optimize-then-discretize" paradigm instead of the usual "discretize-then-optimize" approach, as this ensures robustness of the method when adaptive mesh refinement is performed in computations. We evaluate various design choices inherent in the formulation of the method and conclude with recommendations concerning selection of the best options. Numerical tests demonstrate that the proposed RCG method outperforms the simple gradient descent (RG) method in terms of rate of convergence. While on simple problems a Newton-type method implemented in the { t Ipopt} library exhibits a faster convergence than the (RCG) approach, the two methods perform similarly on more complex problems requiring the use of mesh adaptation. At the same time the (RCG) approach has far fewer tunable parameters.
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Cites work
- scientific article; zbMATH DE number 3942888 (Why is no real title available?)
- scientific article; zbMATH DE number 3596197 (Why is no real title available?)
- scientific article; zbMATH DE number 1196700 (Why is no real title available?)
- scientific article; zbMATH DE number 1080386 (Why is no real title available?)
- scientific article; zbMATH DE number 6803232 (Why is no real title available?)
- scientific article; zbMATH DE number 1855757 (Why is no real title available?)
- scientific article; zbMATH DE number 5223994 (Why is no real title available?)
- scientific article; zbMATH DE number 5060482 (Why is no real title available?)
- scientific article; zbMATH DE number 3281211 (Why is no real title available?)
- scientific article; zbMATH DE number 2214428 (Why is no real title available?)
- A New Algorithm For Computing Liquid Crystal Stable Configurations: The Harmonic Mapping Case
- A New Sobolev Gradient Method for Direct Minimization of the Gross–Pitaevskii Energy with Rotation
- A finite element method with mesh adaptivity for computing vortex states in fast-rotating Bose-Einstein condensates
- A finite-element toolbox for the stationary Gross-Pitaevskii equation with rotation
- A generalized-Laguerre-Hermite pseudospectral method for computing symmetric and central vortex states in Bose-Einstein condensates
- A regularized Newton method for computing ground states of Bose-Einstein condensates
- Acceleration of the imaginary time method for spectrally computing the stationary states of Gross-Pitaevskii equations
- Adaptive Barrier Update Strategies for Nonlinear Interior Methods
- Computational methods for the dynamics of the nonlinear Schrödinger/Gross-Pitaevskii equations
- Computing stationary solutions of the two-dimensional Gross-Pitaevskii equation with deflated continuation
- Computing the Ground State Solution of Bose--Einstein Condensates by a Normalized Gradient Flow
- Computing wave functions of nonlinear Schrödinger equations: a time-independent approach
- Cone conditions and properties of Sobolev spaces
- Convergence to equilibrium for discretizations of gradient-like flows on Riemannian manifolds
- Derivation of the Gross-Pitaevskii equation for rotating Bose gases
- Efficient spectral computation of the stationary states of rotating Bose-Einstein condensates by preconditioned nonlinear conjugate gradient methods
- Efficiently computing vortex lattices in rapid rotating Bose-Einstein condensates
- GSGPEs: a MATLAB code for computing the ground state of systems of Gross-Pitaevskii equations
- Ground state of the time-independent Gross-Pitaevskii equation
- Ground states and dynamics of rotating Bose-Einstein condensates
- Ground-state solution of Bose--Einstein condensate by directly minimizing the energy functional
- Manopt, a Matlab toolbox for optimization on manifolds
- Mathematical theory and numerical methods for Bose-Einstein condensation
- Minimizing the Gross-Pitaevskii energy functional with the Sobolev gradient -- analytical and numerical results
- New development in freefem++
- Newton and conjugate gradient for harmonic maps from the disc into the sphere
- On the implementation of an interior-point filter line-search algorithm for large-scale nonlinear programming
- Optimization Techniques on Riemannian Manifolds
- Optimization methods on Riemannian manifolds and their application to shape space
- Optimizing Schrödinger functionals using Sobolev gradients: Applications to quantum mechanics and nonlinear optics
- Perspectives in Flow Control and Optimization
- Preconditioned gradient flows for nonlinear eigenvalue problems and application to the Hartree-Fock functional
- Robust and efficient preconditioned Krylov spectral solvers for computing the ground states of fast rotating and strongly interacting Bose-Einstein condensates
- Sobolev gradients and differential equations
- Vortices in Bose-Einstein condensates
Cited in
(38)- An efficient adaptive mesh redistribution method for nonlinear eigenvalue problems in Bose-Einstein condensates
- Convergence analysis of direct minimization and self-consistent iterations
- Numerical simulations on nonlinear quantum graphs with the GraFiDi library
- On Optimal Convergence Rates for Discrete Minimizers of the Gross–Pitaevskii Energy in Localized Orthogonal Decomposition Spaces
- Generalisation of splitting methods based on modified potentials to nonlinear evolution equations of parabolic and Schrödinger type
- A preconditioned Riemannian conjugate gradient method for computing the ground states of arbitrary-angle rotating Bose-Einstein condensates
- A Riemannian dimension-reduced second-order method with application in sensor network localization
- Sobolev gradient flow for the Gross-Pitaevskii eigenvalue problem: global convergence and computational efficiency
- GSGPEs-v1.1: a Matlab code for computing the ground state of systems of Gross-Pitaevskii equations
- A normalized gradient flow method with attractive-repulsive splitting for computing ground states of Bose-Einstein condensates with higher-order interaction
- The dependency of spectral gaps on the convergence of the inverse iteration for a nonlinear eigenvector problem
- Computing the Action Ground State for the Rotating Nonlinear Schrödinger Equation
- Newton--Noda Iteration for Computing the Ground States of Nonlinear Schrödinger Equations
- The \(J\)-method for the Gross-Pitaevskii eigenvalue problem
- BEC2HPC: a HPC spectral solver for nonlinear Schrödinger and rotating Gross-Pitaevskii equations. Stationary states computation
- Riemannian Newton methods for energy minimization problems of Kohn-Sham type
- Efficient time integration methods for Gross-Pitaevskii equations with rotation term
- On discrete ground states of rotating Bose-Einstein condensates
- Systematic search for singularities in 3D Euler flows
- Analysis of Schwarz Methods for Convected Helmholtz-Like Equations
- Mathematical models and numerical methods for spinor Bose-Einstein condensates.
- Gradient flow finite element discretizations with energy-based adaptivity for the Gross-Pitaevskii equation
- Symmetric-conjugate splitting methods for evolution equations of parabolic type
- A preconditioned conjugated gradient method for computing ground states of rotating dipolar Bose-Einstein condensates via kernel truncation method for dipole-dipole interaction evaluation
- Energy-adaptive Riemannian optimization on the Stiefel manifold
- Newton-based methods for finding the positive ground state of Gross-Pitaevskii equations
- Efficient and accurate gradient flow methods for computing ground states of spinor Bose-Einstein condensates
- On the characterization of vortex configurations in the steady rotating Bose-Einstein condensates
- On the inviscid instability of the 2-D Taylor-Green vortex
- Computing ground states of Bose-Einstein condensation by normalized deep neural network
- Second-order flows for computing the ground states of rotating Bose-Einstein condensates
- Computing the least action ground state of the nonlinear Schrödinger equation by a normalized gradient flow
- A two level approach for simulating Bose-Einstein condensates by localized orthogonal decomposition
- Computing ground states of Bose-Einstein condensates with higher order interaction via a regularized density function formulation
- Normalized gradient flow with Lagrange multiplier for computing ground states of Bose-Einstein condensates
- On the Convergence of Sobolev Gradient Flow for the Gross–Pitaevskii Eigenvalue Problem
- Adaptation and assessement of projected Nesterov accelerated gradient flow to compute stationary states of nonlinear Schrödinger equations
- Ground states of spin-\(F\) Bose-Einstein condensates
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