arXiv:2608.15313cs.LGcs.AI2026-08

用几何曲率信息改进主成分分析,让降维更懂数据形状。

Shape Operator PCA: Curvature-Aware Projections for Geometric Machine Learning

论文配图:Shape Operator PCA: Curvature-Aware Projections for Geometric Machine Learning
图 1 · 摘自论文原文
  • 基于形状算子重构协方差矩阵,融合局部曲率信息。
  • 在50多个数据集上优于PCA和UMAP,小样本下优势明显。
  • 无需标签自动选参数,适合无监督几何感知降维场景。

本文提出SHOPCA(基于形状算子的主成分分析),一种将微分几何信息融入经典PCA协方差结构的无监督度量学习与降维方法。通过平均局部形状算子构造均值形状算子,对全局协方差矩阵进行正则化,使主成分同时指向最大方差和高信息量的曲率方向。一个归一化混合系数α控制正则化强度,当α=0时恢复标准PCA,α→∞时得到曲率驱动嵌入。我们进一步提出完全无监督的α选择准则,基于正则化协方差矩阵的谱特征间隙,最大化前d个与其余特征值的相对分离度,无需类别标签。在超过50个真实世界基准数据集上评估,对比PCA、ISOMAP和UMAP,使用调整兰德指数(ARI)、标准化互信息(NMI)、Fowlkes-Mallows指数(FM)和V-measure衡量聚类质量。结果表明,SHOPCA在广泛数据集上持续优于PCA,且在小样本设置下超越UMAP,此时迭代邻域流形估计易退化。SHOPCA计算可行、参数高效,适用于需完全无监督、几何感知降维的领域。

原文摘要 · Abstract (English)

In this paper, we propose SHOPCA (Shape Operator-based Principal Component Analysis), a novel method for unsupervised metric learning and dimensionality reduction that incorporates differential geometric information into the covariance structure of classical PCA. SHOPCA regularizes the global covariance matrix using the mean shape operator, defined as the average of the absolute local shape operators estimated from the data manifold, steering principal components toward directions of both maximum variance and informative curvature. A single trace-normalized mixing coefficient $α$ controls the regularization, recovering standard PCA at $α= 0$ and a curvature-driven embedding as $α\to \infty$. We further introduce a fully unsupervised criterion for selecting $α$ based on the spectral eigengap of the regularized covariance matrix, maximizing the relative separation between the top-$d$ and remaining eigenvalues without using class labels. We evaluate SHOPCA on more than 50 real-world benchmark datasets, comparing it with PCA, ISOMAP, and UMAP using Adjusted Rand Index (ARI), Normalized Mutual Information (NMI), Fowlkes-Mallows index (FM), and V-measure. Results show that SHOPCA consistently improves clustering quality over PCA across a broad range of datasets and surpasses UMAP on small-sample settings, where iterative neighborhood-based manifold estimation can degrade. SHOPCA is computationally tractable, parameter-efficient, and applicable to domains requiring fully unsupervised, geometry-aware dimensionality reduction.

降维几何学习无监督曲率

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