Practical gradient and conjugate gradient methods on flag manifolds

IF 16.4 1区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY Accounts of Chemical Research Pub Date : 2024-03-19 DOI:10.1007/s10589-024-00568-6
Xiaojing Zhu, Chungen Shen
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Abstract

Flag manifolds, sets of nested sequences of linear subspaces with fixed dimensions, are rising in numerical analysis and statistics. The current optimization algorithms on flag manifolds are based on the exponential map and parallel transport, which are expensive to compute. In this paper we propose practical optimization methods on flag manifolds without the exponential map and parallel transport. Observing that flag manifolds have a similar homogeneous structure with Grassmann and Stiefel manifolds, we generalize some typical retractions and vector transports to flag manifolds, including the Cayley-type retraction and vector transport, the QR-based and polar-based retractions, the projection-type vector transport and the projection of the differentiated polar-based retraction as a vector transport. Theoretical properties and efficient implementations of the proposed retractions and vector transports are discussed. Then we establish Riemannian gradient and Riemannian conjugate gradient algorithms based on these retractions and vector transports. Numerical results on the problem of nonlinear eigenflags demonstrate that our algorithms have a great advantage in efficiency over the existing ones.

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旗流形上的实用梯度和共轭梯度方法
旗流形是具有固定维数的线性子空间嵌套序列集,在数值分析和统计学中日益兴起。目前的旗流形优化算法基于指数图和平行传输,计算成本高昂。本文提出了无需指数图和平行传输的旗流形实用优化方法。观察到旗流形与格拉斯曼流形和 Stiefel 流形具有相似的同质结构,我们将一些典型的缩回和矢量传输推广到旗流形,包括 Cayley 型缩回和矢量传输、基于 QR 的缩回和基于极坐标的缩回、投影型矢量传输以及将基于极坐标的微分缩回投影为矢量传输。我们讨论了所提出的缩回和向量传输的理论特性和高效实现。然后,我们基于这些回缩和向量传输建立了黎曼梯度算法和黎曼共轭梯度算法。非线性特征标志问题的数值结果表明,与现有算法相比,我们的算法在效率上有很大优势。
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来源期刊
Accounts of Chemical Research
Accounts of Chemical Research 化学-化学综合
CiteScore
31.40
自引率
1.10%
发文量
312
审稿时长
2 months
期刊介绍: Accounts of Chemical Research presents short, concise and critical articles offering easy-to-read overviews of basic research and applications in all areas of chemistry and biochemistry. These short reviews focus on research from the author’s own laboratory and are designed to teach the reader about a research project. In addition, Accounts of Chemical Research publishes commentaries that give an informed opinion on a current research problem. Special Issues online are devoted to a single topic of unusual activity and significance. Accounts of Chemical Research replaces the traditional article abstract with an article "Conspectus." These entries synopsize the research affording the reader a closer look at the content and significance of an article. Through this provision of a more detailed description of the article contents, the Conspectus enhances the article's discoverability by search engines and the exposure for the research.
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