arXiv:2603.01144cs.LG2026-03

提出可保证最优的正交稀疏主成分分析新方法

A Decomposition Framework for Certifiably Optimal Orthogonal Sparse PCA

  • 结合分支定界法与格拉姆-施密特正交化,实现稀疏、正交与最优统一
  • 在保持精度的前提下,计算速度显著提升,支持ε-最优解
  • 设计分解框架,高效求解多主成分问题,适用于高维数据

稀疏主成分分析(SPCA)是高维数据分析中的关键技术,通过在主成分上施加稀疏性以提高可解释性。然而,现有方法难以同时保证主成分的稀疏性、正交性和最优性。本文提出一种名为 extsc{GS-SPCA}(带格拉姆-施密特正交化的SPCA)的新算法,同时满足稀疏性、正交性和最优性。由于原算法受ℓ₀-范数约束导致计算成本高,本文提出两种加速策略:其一,将分支定界法与GS-SPCA结合,可在精度与效率间权衡,获得ε-最优解,显著提升计算速度;其二,提出一种分解框架,通过阈值法近似协方差矩阵为分块对角矩阵,将原问题转化为一系列分块子问题,从而高效求解多个主成分。

原文摘要 · Abstract (English)

Sparse Principal Component Analysis (SPCA) is an important technique for high-dimensional data analysis, improving interpretability by imposing sparsity on principal components. However, existing methods often fail to simultaneously guarantee sparsity, orthogonality, and optimality of the principal components. To address this challenge, this work introduces a novel Sparse Principal Component Analysis (SPCA) algorithm called \textsc{GS-SPCA} (SPCA with Gram-Schmidt Orthogonalization), which simultaneously enforces sparsity, orthogonality, and optimality. However, the original GS-SPCA algorithm is computationally expensive due to the inherent $\ell_0$-norm constraint. To address this issue, we propose two acceleration strategies: First, we combine \textbf{Branch-and-Bound} with the GS-SPCA algorithm. By incorporating this strategy, we are able to obtain $\varepsilon$-optimal solutions with a trade-off between precision and efficiency, significantly improving computational speed. Second, we propose a \textbf{decomposition framework} for efficiently solving \textbf{multiple} principal components. This framework approximates the covariance matrix using a block-diagonal matrix through a thresholding method, reducing the original SPCA problem to a set of block-wise subproblems on approximately block-diagonal matrices.

主成分分析稀疏性优化算法高维数据

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