NANAApr 2

On preconditioned Riemannian gradient methods for minimizing the Gross-Pitaevskii energy functional: algorithms, global convergence and optimal local convergence rate

arXiv:2510.1351694.55 citationsh-index: 2
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This work addresses optimization challenges in quantum physics simulations, specifically for Bose-Einstein condensates, and is incremental as it builds on existing methods with new theoretical analysis.

The paper tackles the problem of minimizing Gross-Pitaevskii energy functionals with rotation using preconditioned Riemannian gradient methods, proving global convergence and deriving a sharp local convergence rate of (L-μ)/(L+μ)+ε for a quasi-optimal preconditioner, validated by numerical experiments on Bose-Einstein condensates.

In this article, we propose a unified framework for preconditioned Riemannian gradient (P-RG) methods to minimize Gross-Pitaevskii (GP) energy functionals with rotation on a Riemannian manifold. This framework enables comprehensive analysis of existing projected Sobolev gradient methods and facilitates the construction of highly efficient P-RG algorithms. Under mild assumptions on the preconditioner, we prove energy dissipation and global convergence. Local convergence is more challenging due to phase and rotational invariances. Assuming the GP functional is Morse-Bott, we derive a sharp Polyak-Łojasiewicz (PL) inequality near minimizers. This allows precise characterization of the local convergence rate via the condition number $μ/L$, where $μ$ and $L$ are the lower and upper bounds of the spectrum of a combined operator (preconditioner and Hessian) on a closed subspace. By combining spectral analysis with the PL inequality, we identify a quasi-optimal preconditioner achieving the best possible local convergence rate: $(L-μ)/(L+μ)+\varepsilon$ ($\varepsilon>0$ small). To our knowledge, this is the first rigorous derivation of the local convergence rate for P-RG methods applied to GP functionals with two symmetry structures. Numerical experiments on rapidly rotating Bose-Einstein condensates validate the theoretical results and compare the performance of different preconditioners.

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