Joint Representation Learning and Clustering via Gradient-Based Manifold Optimization

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.

We introduce Intrinsic Green's Learning (IGL), a framework that models a target function on a manifold as the solution to a linear PDE whose source term is learned from data. Rather than approximating the target directly, IGL learns a source and integrates it against a Green's kernel. An encoder discovers a low-dimensional coordinate chart on the manifold where both the source and the kernel decompose as low-rank tensors, collapsing a high-dimensional integral into independent one-dimensional integrals with cost linear in the intrinsic dimension. A two-stage algorithm separates coordinate discovery from source fitting, a near-convex linear solve, preventing the dimensional collapse of joint training. Learnable gates on each coordinate automatically discover the intrinsic dimension of the manifold. We validate IGL on synthetic manifolds and on MNIST, where it simultaneously achieves near-optimal classification and automatic recovery of the intrinsic dimension.

The goal of fair clustering is to find clusters such that the proportion of sensitive attributes (e.g., gender, race, etc.) in each cluster is similar to that of the entire dataset. Various fair clustering algorithms have been proposed that modify standard K-means clustering to satisfy a given fairness constraint. A critical limitation of several existing fair clustering algorithms is that the number of parameters to be learned is proportional to the sample size because the cluster assignment of each datum should be optimized simultaneously with the cluster center, and thus scaling up the algorithms is difficult. In this paper, we propose a new fair clustering algorithm based on a finite mixture model, called Fair Model-based Clustering (FMC). A main advantage of FMC is that the number of learnable parameters is independent of the sample size and thus can be scaled up easily. In particular, mini-batch learning is possible to obtain clusters that are approximately fair. Moreover, FMC can be applied to non-metric data (e.g., categorical data) as long as the likelihood is well-defined. Theoretical and empirical justifications for the superiority of the proposed algorithm are provided.