Manifold Learning Method

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A weekly snapshot of new work published in Manifold Learning Method.

33 papers

Latest in Manifold Learning Method

Sep 16, 2026stat.ML

Learning Submanifolds for Subsequent Inference on Random Dot Product Graphs, Part 1: Theory

We propose a framework for restricted inference on random dot product graphs whose latent positions lie on an unknown low-dimensional support manifold. For general decision problems, we propose semisupervised decision rules that use auxiliary data to learn the support manifold. Specifically, our rules use the Isomap manifold learning procedure to construct a low-dimensional Euclidean representation of the observed graph, in which space an isometrically invariant function maps configurations of points to actions. We study the behavior of the proposed rules as the quantity of auxiliary data sampled from the unknown support manifold increases. We show that, as the auxiliary sample size increases, the risk of the semisupervised rule converges to the risk of an oracle rule that relies on the maximal amount of low-dimensional Euclidean structure that can be extracted from the support manifold. Examples, applications, and simulation studies are deferred to a sequel.
Michael W. Trosset, Carey E. Priebe
Sep 15, 2026stat.ML

Bracketing Uncertainty in Clustering Under the Manifold Hypothesis

The manifold hypothesis suggests a natural criterion for clustering: partition data according to the manifold component from which each point is drawn. Whether two components are separable depends on a geometric tradeoff: the ambient separation between components versus the largest gap in sampling. In practice, this tradeoff is rarely assessed explicitly, leading standard methods to over-commit to a single clustering assignment even when the data do not support a unique answer. We formalize this tradeoff by combining intrinsic manifold geometry (volume growth and reach) with sample-level quantities (fill distance and density), yielding a threshold phenomenon for mutual-kk-nearest-neighbor graphs: when the offset-to-fill ratio exceeds a conservative upper threshold, component separation is preserved; below a lower threshold, components fuse. The gap between these thresholds defines a geometric uncertainty zone in which the number of clusters is not identifiable from the data. Nevertheless, conventional approaches still seek one: sweeping parameters (an engineering approach) or fitting a generative mixture model (a model-based approach). Rather than forcing a single estimate of the number of clusters, we propose Manifold-Based Clustering (MBC), which returns an explicit bracket interval to quantify the underlying data uncertainty. This bracket acts as an empirically calibrated diagnostic: it narrows when a single resolution is supported, widens when multiple resolutions coexist, and collapses to one when no separated structure is detectable. Empirically, we find that many real datasets lie within the uncertainty zone rather than admitting one clear answer. Our results suggest that ambiguity in cluster number is often intrinsic, and should be quantified rather than resolved.
Savik Kinger, Luciano Dyballa, Steven W. Zucker
Sep 3, 2026cs.LG

Geometry-Aware Graph Construction via Adaptive Spectral Bandwidth Control

Kernelized graph methods - spectral clustering, diffusion maps, and sparse kernel -regression graphs - that use Gaussian kernels depend on the choice of Gaussian bandwidth sigma, which governs the spectral character of the local kernel operator. When sigma is too small, the kernel overestimates local complexity and treats each sample as an independent direction; when sigma is too large, the kernel collapses multiple directions together, the condition number diverges, and all geometric discrimination is lost. We propose a choice of scale to make the spectral complexity of the kernel consistent with the intrinsic complexity of the underlying manifold. We propose a per-node bandwidth criterion that operationalizes this principle by jointly matching the kernel's effective rank to the local intrinsic dimension estimated via minimum spanning tree, anchoring the search in the manifold-consistent log-log scaling regime. We evaluate SSL embeddings from six encoders on CIFAR-100, showing that adaptive bandwidth consistently improves leave-one-out (LOO) classification and label propagation (LP) accuracy over fixed-bandwidth methods and competing adaptive methods.
Ecem Bozkurt, Antonio Ortega
Sep 2, 2026cs.CV

Aggregating Neighbor Embedding Projection and Rank-Based Manifold Learning for Image Retrieval

Content-based image retrieval (CBIR) has advanced significantly with deep learning, yet effectively ranking similar images remains challenging, particularly in high-dimensional feature spaces, where pairwise distances often fail to capture contextual relationships and the semantic gap between visual features and high-level concepts persists. Manifold learning and rank-based refinement methods have emerged as complementary strategies, respectively improving feature representations and exploiting contextual information embedded in ranked lists, such as neighborhood relationships among images. However, combining these projection-based and rank-based strategies to exploit their complementary properties remains a challenging research problem. To address this, we propose a framework that combines neighbor embedding projections with rank-based manifold learning through rank aggregation. Uniform Manifold Approximation and Projection (UMAP) generates alternative low-dimensional feature representations, and ranked lists obtained from UMAP projections and rank-based re-ranking methods are combined using the Borda Count aggregation strategy. Experiments were conducted on several public datasets using deep learning features extracted from ResNet152, Swin Transformer, and DINOv2 models. Results show that the proposed approach improves retrieval effectiveness in several scenarios, particularly when the baseline representation struggles to achieve high precision. The aggregation strategy also often improves the quality of top-ranked positions, leading to competitive Mean Average Precision (MAP) and Precision values across different datasets and feature extractors. These findings suggest that combining projection-based and rank-based manifold learning strategies through rank aggregation can provide complementary contextual information for image retrieval tasks.
Vinicius Atsushi Sato Kawai, Gustavo Rosseto Leticio, Lucas Pascotti Valem +1
Sep 1, 2026cs.CG

Sierpiński--Knopp Wasserstein Distance for Persistence Diagrams and Applications to 2-Wasserstein Approximation

This paper introduces the Sierpiński-Knopp (SK) Wasserstein distance, a fast metric between persistence diagrams. The SK-Wasserstein distance, denoted dSKd_{\mathrm{SK}}, maps diagram points and their diagonal projections to the unit interval via the Sierpiński-Knopp space-filling curve on the upper diagonal triangle. The encoded point sets are then efficiently matched via one-dimensional optimal assignment, in O(NlogN)O(N\log N) steps, yielding an explicit diagonal-aware point assignment between the two input persistence diagrams. We show that the SK-Wasserstein distance controls the classical 22-Wasserstein distance between diagrams, admits an explicit isometric embedding into a Hilbert space, and induces a positive-definite Gaussian kernel, making the resulting geometry directly compatible with Euclidean and kernel-based learning methods. A tighter surrogate dissimilarity, noted WΓW_Γ, is also introduced based on the point assignments along the curve. Experiments on 12 scientific collections comprising 227 diagrams show median per-collection speedup of dSKd_{\mathrm{SK}} over state-of-the-art approximations of W2W_2 is 626×626\times, while the aggregate speedup over the full benchmark is 2100×2100\times. Average-linkage partitions obtained from dSKd_{\mathrm{SK}} and WΓW_Γ each exactly match the corresponding W2W_2 partition on 8 of the 12 collections. Hilbert kk-means and Gaussian spectral clustering, both based on dSKd_{\mathrm{SK}}, achieve mean adjusted Rand indices (ARI) of 0.7560.756 and 0.8000.800, respectively, with respect to the benchmark reference partitions, compared to 0.7500.750 obtained by average linkage on W2W_2. The Gaussian dSKd_{\mathrm{SK}} kernel supports other kernel-based analysis tasks, as illustrated by its use for contiguous segmentation of ordered diagram collections in our experiments.
Sebastien Tchitchek, Julien Tierny
Sep 1, 2026cs.LG

DK-GBMKKM: Dynamic Kernel-Space Granular-Ball Multiple Kernel k-Means Clustering

Multiple kernel kk-means integrates complementary nonlinear similarities by learning a combination of base kernels. Its pointwise optimization, however, is sensitive to noisy and boundary samples and repeatedly operates on sample-scale kernel matrices. Granular-ball representations organize local sample groups into mesoscopic units, but granular balls generated once in the input space may be inconsistent with the fused-kernel geometry that evolves during multiple kernel learning. We propose dynamic kernel-space granular-ball multiple kernel kk-means (DK-GBMKKM). The method generates granular balls in the current fused kernel space and alternates kernel-weight learning with granular-ball membership updates, allowing the representation to adapt to changes in the fused-kernel geometry. A sample-size-weighted granular-ball kernel is further constructed to preserve the contributions of balls of different sizes, and its positive semidefiniteness and related equivalence properties are established. Experiments on 12 public datasets demonstrate the strong overall clustering performance of DK-GBMKKM. The code has been open-sourced for reproducibility: https://github.com/lianxiaoyu724/DK-GBMKKM.
Xiaoyu Lian, Yuchao Zhang, Shuyin Xia +2
Aug 11, 2026math.OC

Gromov-Wasserstein Quantization and Clustering: Structure, Rates, and Algorithms

Clustering is a fundamental class of data analysis techniques with the most important representatives being centroid-based methods like kk-means. Such methods are strongly connected to quantization problems, which aim to approximate general probability measures with discrete ones. For example, kk-means corresponds to quantization with respect to the Wasserstein distance. While Wasserstein quantization clusters points within a fixed space, this paper studies Gromov-Wasserstein (GW) quantization, which additionally aims at clustering the ambient geometry of the space. We show existence of solutions to the GW quantization problem and give a characterization that justifies an analogue to the kk-means algorithm (Lloyd's algorithm) to approximate them numerically. We further calculate the quantization rate for usual Euclidean geometries that are used in the GW context, and relate it to standard Wasserstein quantization rates. Finally, numerical experiments show that GW quantization opens up many modeling possibilities beyond normal clustering methods (e.g., for geodesic distances of 3D shapes or structured pruning of neural networks) and that the introduced algorithm leads to useful numerical solutions with approximation quality often in line with theoretically optimal rates.
Florian Beier, Stephan Eckstein
Aug 11, 2026stat.ML

Spectral Embeddings of Degree-α Laplacians in Random Dot Product Graphs

Spectral clustering methods for network data are commonly based on a few matrix representations, such as the adjacency matrix and the symmetric Laplacian. We study a continuum of degree-normalized spectral embeddings that includes these commonly used choices as special cases. Under a random dot product graph model, we establish a row-wise central limit theorem for this family of embeddings. The result provides an explicit description of how degree normalization affects both population geometry and the local uncertainty of embedded nodes. We use the limiting distributions to compare different normalizations in two-community stochastic block models through a projected-Gaussian Bayes-error diagnostic. These comparisons show that no single normalization is uniformly preferred. Instead, the favored normalization depends on network density, community imbalance, and block-probability structure. Typically, stronger normalization is favored in lower-density or more imbalanced settings. These results provide a unified distributional understanding of when and why alternative normalizations may improve spectral clustering.
John Park, Ning Hao
Jul 28, 2026cs.LG

Breaking the Periodicity Assumption: Robust Tensorial Multi-View Clustering via Graph-Spectral Low-Rank Learning

Tensorial multi-view clustering (TMC) has achieved strong performance due to its ability to capture high-order correlations across multiple views. Most existing t-SVD-based TMC frameworks apply the Fast Fourier Transform (FFT) along the sample mode to impose frequency-domain low-rank constraints. However, we reveal that this widely adopted design critically relies on an implicit ``periodicity assumption'' induced by the sample arrangement. When samples are ordered by class, neighboring indices tend to be semantically similar, creating artificial local continuity along the sample mode and a favorable spectral structure for FFT-based low-rank regularization. Once this ordering is removed by random permutation, existing t-SVD-based TMC methods suffer severe performance degradation. This strong sensitivity to class ordering conflicts with the permutation-invariant nature of clustering and indicates that part of the reported performance may be attributed to a privileged sample arrangement rather than genuine high-order structure modeling. In this paper, we systematically investigate this phenomenon and its underlying algebraic and spectral mechanisms. To address this fundamental flaw, we further propose a graph-spectral low-rank tensor learning framework based on the Graph Fourier Transform (GFT), which replaces the fixed Fourier basis along the sample mode with a data-driven graph spectral basis, thereby capturing the intrinsic manifold structure without relying on a particular sample ordering. Moreover, we develop an anchor-based variant to address large-scale datasets efficiently. Extensive experiments on various benchmarks validate our findings and demonstrate the competitive or superior performance of the proposed methods compared with state-of-the-art TMC approaches.
Jintian Ji, Xingsu Li, Songhe Feng
Jul 27, 2026cs.LG

Why does Greedy Search produce Optimal Clustering Outcomes? A Fixed-Core Assignment Theory

Many existing clustering methods are designed based on a set-oriented definition---a cluster is a set of similar points---relying a point-to-point similarity function to find similar points. This works well for compact clusters, but clustering performance can deteriorate badly when cluster shapes are irregular, and densities or sizes vary between clusters. Recent `Cluster-as-Distribution' (CaD) clustering has been shown to discover these generic types of clusters in practice by treating each cluster as a set of independent and identically distributed points generated from some unknown distribution via a greedy search, achieving a clustering objective equivalent to that of Spectral Clustering, but with better clustering outcomes without eigen-decomposition. However, a theoretical analysis of this phenomenon is still lacking. Our analyses are from two angles. First, we analyze the approximation error between the true and empirical distribution embeddings. Second, we show that the greedy search employed to achieve the CaD clustering objective can be mapped to a partition matroid---yielding greedy optimality. These yield a near-optimality guarantee for the CaD clustering objective, with regret controlled by the approximation error. This is the first analysis that explains why CaD clustering via greedy search can discover clusters of arbitrary shapes, densities and sizes (where all set-oriented clustering methods have failed to discover) when the estimated cluster embeddings faithfully approximate the underlying cluster distributions.
Kaifeng Zhang, Kai Ming Ting, Sanjay Chawla
Jul 24, 2026cs.DB

Queryable Self-Organizing Maps: A Database Abstraction for Topology-Driven Data Exploration

Self-Organizing Maps (SOMs) have long been used as exploratory tools for high-dimensional data: they organize objects into a two-dimensional topology that reveals clusters, gradients, sparse regions, dense regions, and boundaries. Yet, in modern data systems, SOMs are typically trained and visualized outside the DBMS, disconnected from the relational data they summarize. We introduce the abstraction of a queryable data map: a learned topological artifact consisting of representatives, neighborhood relations, object assignments, and derived summaries. We instantiate this idea with MapDB, a lightweight prototype that makes SOM artifacts queryable so users can explore data topology without leaving the database. Experimental study shows that SOM training is feasible at moderate analytical scale, that map queries are interactive after materialization, and that SOM regions provide meaningful targets for exploratory SQL.
Denis Mayr Lima Martins, Gottfried Vossen
Jul 23, 2026cs.LG

Regularized Optimization on Grassmann Manifold: Theory, Algorithm and Applications

Spectral methods are among the most widely used techniques for community detection, clustering, and graph learning. Their performance, however, critically depends on the accurate estimation of the underlying spectral subspace and can deteriorate substantially in the presence of noise, outliers, or model perturbations. To address this limitation, we propose a Regularized Projection Matrix Approximation (RPMA) framework for robust estimation of rank-KK projection matrices. RPMA extends classical spectral projection by incorporating a regularization term, producing projection estimates that are more robust, sparse, and interpretable. We formulate the proposed model as an optimization problem on the manifold of rank-KK projection matrices and exploit its geometric equivalence to the Grassmann manifold. Based on this manifold characterization, we derive the first- and second-order optimality conditions, establish the local stability of the regularized leading eigenspace, and characterize the stability of the critical-point landscape under sufficiently small regularization. To efficiently solve the resulting nonconvex optimization problem, we develop a Riemannian gradient projection algorithm with backtracking line search, together with a more efficient Cayley--Sherman--Morrison--Woodbury (Cayley--SMW) gradient method that avoids repeated eigendecompositions. Extensive experiments on both synthetic and real-world datasets demonstrate that RPMA substantially improves the recovery accuracy of projection matrices and consistently outperforms conventional spectral projection methods for community detection and clustering under noisy environments.
Zhuan Liang, Zheng Zhai
Jul 7, 2026cs.LG

EntroPath: Maximum Entropy Path Ensemble Embedding for Manifold Learning

We introduce EntroPath, a manifold learning method that recovers geodesic geometry from data graphs through ensembles of diffusion paths. Many existing graph-based embeddings rely either on locally normalised random walks or on shortest-path distances. The former can concentrate diffusion in densely sampled regions, while the latter are sensitive to spurious shortcut edges in the graph. EntroPath instead builds its dissimilarities from the maximum entropy random walk (MERW), which aggregates the full ensemble of k-step paths between points rather than relying on any single trajectory. We show that the resulting free-energy dissimilarity converges to squared geodesic distance in the short-time limit, via Varadhan's heat-kernel formula. The diffusion depth k interpolates smoothly between local neighbourhood structure and global manifold geometry, and the symmetrised kernel admits an exact Gram factorisation connecting EntroPath to kernel methods. We further provide scalable extensions via landmark projection and diffusion-potential pseudotime. Across synthetic manifolds and single-cell benchmarks, EntroPath consistently matches or outperforms diffusion- and shortest-path-based methods, while remaining competitive with neighbourhood-preserving embeddings (UMAP, t-SNE) on local-structure metrics. Its gains are most pronounced on manifolds with non-uniform sampling density and well-separated branching trajectories, where path-ensemble diffusion more faithfully preserves the underlying geodesic geometry.
Przemysław Rola
Jul 7, 2026stat.ML

On the convergence of graph Laplacians with a symmetric divergence

When analyzing a manifold learning algorithm for data lying on a smooth, compact, connected Riemannian submanifold (M,g)(\mathcal{M}, g) of Rd\mathbb{R}^d, a key estimate for the geodesic distance dgd_g is that there exists K>0K > 0 such that 0dg(p,q)2pq2Kdg(p,q)40 \leq d_g(p, q)^2 - \|p-q\|^2 \leq K d_g(p, q)^4 for all p,qMp, q \in \mathcal{M}. We observe that more generally, when M\mathcal{M} is equipped with a smooth symmetric divergence DD satisfying a non-degeneracy condition and gg is given by gp:=12Hessp(D(p,))g_p := \frac{1}{2}\mathrm{Hess}_p(D(p, \cdot)) for all pMp \in \mathcal{M}, there exists K>0K > 0 such that D(p,q)dg(p,q)2Kdg(p,q)4\left| D(p, q) - d_g(p, q)^2 \right| \leq K d_g(p, q)^4 for all p,qMp, q \in \mathcal{M}. We demonstrate that this is sufficient for the pointwise convergence of graph Laplacians constructed with DD and discuss examples where DD is given by the Sinkhorn divergence on a family of probability measures parametrized by a manifold.
Liane Xu
Jul 5, 2026cs.CV

RSLoRA: Training-free Rank Allocation for LoRA via Representational Sensitivity Probing

Low-Rank Adaptation (LoRA) has become a cornerstone of parameter-efficient fine-tuning (PEFT); however, the conventional practice of uniform rank assignment ignores the functional heterogeneity of neural layers. Existing rank allocation methods typically struggle with a trade-off between computational intensity and heuristic simplicity: training-based methods suffer from prohibitive overhead, while pre-allocation methods fail to capture the dynamic task-specific representation manifold. In this paper, we propose RSLoRA (Representational Sensitivity LoRA), a training-free and gradient-free rank allocator driven by activation-space geometry. We identify a "sensitivity regime shift" across layers, observing that static weight analysis and local gradients are insufficient to reflect how updates reshape a model's internal representations. To address this, RSLoRA introduces a virtual representational probing mechanism. By simulating adaptation through structured low-rank noise and measuring the resulting manifold displacement by using Effective Rank and Frechet Distance, we identify high-sensitivity modules that require higher rank capacity. Our framework effectively bridges the gap between expert-crafted heuristics and actual representational impact. Extensive evaluations demonstrate that RSLoRA consistently outperforms state-of-the-art allocators (e.g., AdaLoRA, GoRA) across mainstream benchmarks. By eliminating the need for iterative training-time adjustments and backward gradients, RSLoRA provides a highly efficient, robust, and representation-aware solution for large-scale model adaptation.
Jiaqi Liu, Haidong Kang, Qihui Zhao +1
Jun 16, 2026cs.LG

Expanding SPHERE-JEPA: A Family of Statistical Regularizers for the Hypersphere

In Self-Supervised Learning (SSL), preventing representation collapse by explicitly enforcing a uniform distribution on the unit hypersphere has proven to be effective. However, current frameworks typically rely on sliced statistical regularizers such as SIGReg (used in LeJEPA) and SUSReg (used in SPHERE-JEPA), which approximate this continuous objective via Monte Carlo sampling along random 1D directions. This stochasticity injects projection variance into the training gradients, destabilizing optimization, and hindering convergence. In this work, we first show that analytically integrating out these random projections natively yields a deterministic Maximum Mean Discrepancy (MMD), bypassing the variance of sliced methods. Motivated by this equivalence, we formulate full-dimensional objectives for MMD, Kernel Stein Discrepancy (KSD), and Kullback-Leibler (KL) divergence directly on the sphere to enforce a uniform distribution. To prevent spatial bias, we equip these tests with rotationally invariant kernels constructed via spectral theory, systematically evaluating two canonical families: smooth exponential decay (Heat) and strict frequency cutoff (Bandlimited) filters. Empirically, removing projection-induced noise results in more stable optimization, faster convergence, and consistent improvements over stochastic sliced regularizers on ImageNet and Galaxy10. Furthermore, we reveal that the choice of the statistical test shapes the geometry of the learned latent space: MMD and KSD favor locally clustered organization suitable for object-centric domains, whereas the continuous KDE-based KL divergence promotes fine-grained instance separation, yielding the strongest results on unclustered procedural texture retrieval.
Léo Nicollier, Enric Meinhardt-Llopis, Max Dunitz +3
Jun 3, 2026cs.LG

On Out-of-sample Embedding in UMAP

Neighbor embedding algorithms reveal correlations in high-dimensional data by constructing an equivalent graph representation in a lower-dimensional space. An increasingly popular algorithm is Uniform Manifold Learning and Projection (UMAP), which uses algebraic topology to map distances between the two spaces. While it works well on many types of data sets, UMAP has trouble adding out-of-sample points to a pre-existing mapping. In particular, UMAP often places new points on the periphery of the found clusters, rather than in their interiors with their correlated neighbors. Here, we overcome this ``repulsion effect'' by optimizing pairwise interactions within the original k-nearest-neighbor graph. Moreover, we show that parameterizing UMAP obtains better embeddings than non-parametric algorithms, particularly as the data gets more complex (e.g., medical images). We also show that the repulsion effect is naturally mitigated when a parameterized UMAP is employed to embed the data. We characterize different UMAP approaches using trustworthiness, nearest neighbor classifiers, and by analyzing attractive and repulsive forces in the embeddings.
Mohammad Tariqul Islam, Jason W. Fleischer
Jun 1, 2026cs.LG

A Nonmonotone Gradient-Based Algorithm for Symmetric Nonnegative Matrix Factorization and Graph Clustering

Symmetric nonnegative matrix factorization (Symmetric NMF) approximates a matrix as WWTWW^T with nonnegative rectangular factor WW. It has broad applications in graph clustering and machine learning. In contrast to the NMF, projected gradient methods for the symmetric problem had been associated with slow convergence. To address this, we introduce SNMPBB, the first adaptation of nonmonotone projected Barzilai-Borwein methods to Symmetric NMF, demonstrating that gradient algorithms are significantly more effective than previously understood. We further extend SNMPBB to graph clustering using the graph Laplacian regularization (Graph-SNMPBB) and to large problems with low-rank approximations (LAI-SNMPBB). For all variants we prove global convergence to first-order stationary points and also that Barzilai-Borwein curvature information is preserved with randomized approximations. On synthetic data, SNMPBB achieves 6 times speedup over the alternative SymANLS for similar residuals, with advantages growing at higher ranks. Across six real-world clustering benchmarks, Graph-SNMPBB matches or exceeds SymANLS accuracy. Lastly, LAI-SNMPBB outperforms state-of-the-art LAI-SymPGNCG on 34 SuiteSparse matrices in both runtime and residual quality.
Ryan Swart, Johannes Brust
Jun 1, 2026cs.LG

Flexible Online Representation Learning Based on Similarity Matching

Sparse high-dimensional representations are conducive to uncovering nontrivial structures in unsupervised exploration of data. Such a representation can deal with the dense connectivity in graphs relevant to community detection problems. However, sparse high-dimensional representations are capable of doing more, including manifold tiling and feature learning. Conventional algorithms optimize in the space of computationally intractable completely positive matrices or relax the problem to the space of doubly nonnegative matrices that scale with sample size in a way rendering them impractical for large data sets. Some of these methods also impose a row sum constraint, such as double stochasticity. Row sum constraints have the added advantage of being shift-invariant, in the context of manifold tiling. Constraints on the row sum of output similarity matrices require nontrivial online learning rules. Addressing these needs, we propose a versatile online biologically plausible learning algorithm capable of learning sparse shift-invariant representations, useful for clustering, manifold tiling, or sparse coding, depending on the data structure.
Shagesh Sridharan, Yanis Bahroun, Anirvan M. Sengupta
May 27, 2026cs.CV

Anomaly as Non-Conformity via Training-Free Graph Laplacian Energy Minimization

Detecting subtle visual anomalies in images remains challenging, particularly when only normal samples are available a priori. Such unsupervised anomaly detection is typically solved by measuring feature similarity of a query patch to a memory of normal patches. However, similarity alone does not reveal how strongly a query patch violates the structure of the normal feature manifold. We propose a training-free Laplacian graph energy optimization formulation, named ANoCo that scores Anomaly by the cost of Non-Conformity of a query patch to align with a fixed normal manifold. For each query patch, we construct a bipartite query to normal graph weighted by cosine affinity, explicitly removing query-query and normal-normal edges to prevent evidence dilution. We formulate anomaly scoring as a convex Laplacian energy with anchored normal nodes, and solve in closed form. In particular, we do not use the optimized features themselves-the anomaly score is the magnitude of the update required to satisfy normality constraints, reframing the graph Laplacian as a non-conformity operator rather than a smoothing prior. The proposed method introduces no learnable parameters, message passing, or sampling, and has complexity comparable to a single linear solve. Across standard benchmarks, it delivers strong image-level AUROC, stable localization maps, and improved robustness over prior methods, demonstrating the effectiveness of using optimization-induced feature drift as anomaly measure.
Jungwook Seo, Minjeong Kim, Younkwan Lee +2
May 26, 2026cs.LG

SPHERE-JEPA: Spherical Prediction with Homogeneous Embeddings

A fundamental open question in self-supervised learning (SSL) is the explicit characterization of the optimal geometry of the learned representations. Recently, LeJEPA identified isotropic Gaussian embeddings as optimal for minimizing downstream prediction risk in Euclidean spaces. However, the corresponding problem for distributions supported on lower-dimensional manifolds, such as the hypersphere, remains unexplored. In this work, we demonstrate that extending this minimax analysis to smooth distributions on Riemannian manifolds fundamentally changes the optimal solution. We show that, under a worst-case formulation, both k-nearest neighbors and kernel ridge regression induce hyperspherical uniformity. More precisely, we show that uniform distributions on manifolds are optimal for k-nearest neighbors, and that the uniform distribution on the sphere is optimal for kernel ridge regression with both the exponential dot-product kernel and the linear kernel. This theoretical insight reveals a fundamental limitation of Gaussian embeddings: their non-uniform density induces anisotropic k-NN neighborhoods, severely biasing the estimator. To correct this, we introduce SPHERE-JEPA, a theoretically grounded SSL framework. We adapt LeJEPA's Cram{é}r-Wold projection mechanism to enforce hyperspherical uniformity rather than a Gaussian prior. Empirically, SPHERE-JEPA yields significant improvements, boosting texture retrieval mAP by over 6%, while consistently matching or outperforming LeJEPA on standard benchmarks-including a +1.8% linear probing gain on ImageNet-1K (ViT-B/14).
Léo Nicollier, Max Dunitz, Marc Pic +3
May 24, 2026cs.LG

Planning Neural Dynamics with Lie Group Embedding through Supervised Projective Manifold Learning

We propose Lie group embedded dynamical neural networks (LieEDNN) and the corresponding learning algorithms based on gradient descent and metric projection on smooth manifold, where we treat Lie group as an intrinsic representation for continuous symmetry of manifold geometry. Thereby we achieve learnable and stable dynamics on the underlying manifold for general Lie group, and we are able to utilize the powerful representation capability of Lie group such as SO(3) and SE(3) to solve real world engineering problems in areas such as robotics, graphics, and control. Two core challenges are: (i) General Lie groups are incompatible with addition arithmetic, which is necessary for neural network interactions. (ii) The dynamics evolve in the nonlinear representation space of special algebra rather than the normal Euclidean space, which violates the paradigm of common neural ODEs. To address these two challenges, we firstly introduce adjoint Lie group action on the Lie algebra, which induces a linear mapping and transfer to the block-wise structure of weight matrices, such that addition could operate on the Lie algebra as a vector space. Then we parameterize the Lie algebra and the adjoint action as linear transformation so that the architecture is aligned with neural network perceptrons. Explicitly, this embedding appears as block-wise manifold constraints on weights, and we develop algorithms to learn the equilibrium with stability guarantees of the temporal neural network dynamics. Experiments are implemented on a specific Lie group SE(3), with the application scenario of telescopic manipulators.
Tianwei Wang, Bryan Chen, Qian Zuo +3
May 22, 2026cs.CV

Coloring the Noise: Adversarial Sobolev Alignment for Faithful Image Super Resolution

Generative priors in Image Super-Resolution (SR) often compromise faithful restoration, we attribute this limitation to a fundamental spectral misalignment between isotropic objectives and the intrinsic natural image manifold. While Direct Preference Optimization offers a path to alignment, its reliance on spectrally flat Gaussian noise fails to distinguish authentic high-frequency details from hallucinations. To bridge this geometric gap, we propose ASASR, a theoretically grounded framework that recasts the generative flow into a Sobolev-induced Riemannian geometry by explicitly coloring the noise transition kernel to mirror natural spectral decay. Driving this geometric alignment, we integrate a parametric adversary grounded in the Riesz Representation Theorem, which synthesizes targeted negative samples equivalent to worst-case Sobolev gradients to direct optimization along the tangent space of plausible structural failures. Extensive evaluations demonstrate that ASASR outperforms leading generative baselines, particularly in preserving spectral consistency and structural fidelity, offering a robust solution that effectively mitigates artifacts.
Hongbo Wang, Huaibo Huang, Pin Wang +3
May 21, 2026cs.LG

Minimum Description Length based Granular-Ball Tree Regularization for Spectral Clustering

Spectral clustering largely depends on the affinity graph, yet constructing a graph that preserves reliable local connectivity while adapting to heterogeneous data structures remains challenging. Existing granular-ball-based spectral clustering methods usually reduce graph complexity by using coarse-grained representatives. However, the learned local regions are often treated as graph nodes or anchors, and their structural information is not sufficiently used to regularize the original sample-level graph. To address this issue, this paper proposes a Minimum Description Length based Granular-Ball Tree-Regularized Spectral Clustering method, termed MDL-GBTRSC. The proposed method constructs a granular-ball tree through local MDL model selection, with reciprocal neighborhood continuity used to discourage splits that break reliable local connections. The stable leaf balls obtained from the tree provide coding-scale information for regularizing the sample-level affinity graph. In addition, a shared-neighbor bridge code is introduced to adjust weak local bridge relations without requiring an additional user-specified threshold. In this way, MDL-GBTRSC connects interpretable local representation learning with affinity graph construction in a unified spectral clustering framework. Experiments on real and synthetic datasets show that MDL-GBTRSC achieves the best average ARI and NMI under the adopted fixed-configuration protocol compared with classical spectral clustering baselines and representative granular-ball, micro-cluster, and anchor-based methods.
Zeqiang Xian, Caihui Liu, Yong Zhang +1
May 19, 2026cs.LG

Euclidean Embedding of Data Using Local Distances

We study the problem of recovering a globally consistent Euclidean embedding of data, given only a local distance graph and propose a method that optimally represents these distances. The method operates solely on a neighborhood graph weighted by pairwise distances, without requiring any prior vector representation of the data. The embedding is obtained by solving a variational problem that matches local, on-graph distances to the Euclidean metric, induced by the differentials of the embedding functions. The resulting Euler-Lagrange equations are derived in a coordinate-free form, enabling direct evaluation of all operators from the distance graph alone. Though non-linear and missing an explicit expression for their non-linearity, these equations are shown to be resolved as an iteratively updated sparse linear problem. The main contributions of the proposed approach are (a) the derivation of the functional equations governing the optimal Euclidean embedding in the continuum, (b) a representation-free formulation that requires only a neighborhood distance graph and no feature vectors and (c) an estimation procedure based exclusively on local graph operations. We experimentally evaluate the resulting non-parametric algorithm on synthetic manifolds and real datasets, demonstrating consistent preservation of local metric structure and neighboring relations, while approximating the global isometric embedding.
Dimitris Arabadjis
May 9, 2026cs.LG

SMIXAE: Towards Unsupervised Manifold Discovery in Language Models

Sparse autoencoders (SAEs) have been used widely to decompose and interpret neural network activations, especially those of transformer language models. One key issue with SAEs is their inability to directly model multidimensional features. Instead, SAEs may tile such features by a set of independent directions that must be grouped together after the SAE training phase, impeding discoverability and interpretation of learned feature representations. We begin to address this issue by introducing the Sparse MIXture of Autoencoders (SMIXAE) architecture. Empirically, we provide evidence that SMIXAE models have success both in directly learning previously identified manifold structures, as well as finding novel structures, within the open source Gemma 2 2B and 9B models. Finally, we discuss several limitations and point towards areas for future work.
Collin Francel
May 9, 2026cs.LG

Bilinear autoencoders find interpretable manifolds

Sparse autoencoders have become a standard tool for uncovering interpretable latent representations in neural networks. Yet salient concepts often span manifolds that current linear methods cannot capture without post hoc analysis. This paper uses quadratic latents to close this gap: we implement these with bilinear autoencoders, which decompose activations into low-rank quadratic forms, compose linearly in weight space, and admit input-independent geometric analysis. This qualitative difference in what concepts quadratic latents can detect challenges the standard linear representation hypothesis. Our experiments and visualisations show that multi-dimensional geometries are highly prevalent and that composite latents capture them well, systematically improving reconstruction error in language models. Furthermore, we show that autoencoders with varying geometric priors recover the same input subspace despite their dictionary entries being distinct. Practically, these models serve as an unsupervised tool for manifold discovery, which we demonstrate through an interactive online visualizer for Qwen 3.5. This is a step toward nonlinear but mathematically tractable latent representations whose composition is expressive and interpretable by design.
Thomas Dooms, Ward Gauderis, Geraint Wiggins +1
Apr 30, 2026cs.LG

Do Sparse Autoencoders Capture Concept Manifolds?

Sparse autoencoders (SAEs) are widely used to extract interpretable features from neural network representations, often under the implicit assumption that concepts correspond to independent linear directions. However, a growing body of evidence suggests that many concepts are instead organized along low-dimensional manifolds encoding continuous geometric relationships. This raises three basic questions: what does it mean for an SAE to capture a manifold, when do existing SAE architectures do so, and how? We develop a theoretical framework that answers these questions and show that SAEs can capture manifolds in two fundamentally different ways: globally, by allocating a compact group of atoms whose linear span contains the entire manifold, or locally, by distributing it across features that each selectively tile a restricted region of the underlying geometry. Empirically, we find that SAEs suboptimally recover continuous structures, mixing the global subspace and local tiling solutions in a fragmented regime we call dilution. This explains why manifold structure is rarely visible at the level of individual concepts and motivates post-hoc unsupervised discovery methods that search for coherent groups of atoms rather than isolated directions. More broadly, our results suggest that future representation learning methods should treat geometric objects, not just individual directions, as the basic units of interpretability.
Usha Bhalla, Thomas Fel, Can Rager +9
Apr 29, 2026cs.CV

Topology-Aware Representation Alignment for Semi-Supervised Vision-Language Learning

Vision-language models have shown strong performance, but they often generalize poorly to specialized domains. While semi-supervised vision-language learning mitigates this limitation by leveraging a small set of labeled image-text pairs together with abundant unlabeled images, existing methods remain fundamentally pairwise and fail to model the global structure of multimodal representation manifolds. Existing topology-based alignment methods rely on persistence diagram matching, which neither guarantees geometric alignment nor utilizes the image-text pairing information central to vision-language learning. We propose Topology-Aware Multimodal Representation Alignment (ToMA), a framework that uses persistent homology to identify topologically salient edges and aligns them across modalities through available cross-modal correspondences. ToMA leverages both H_0-death edges and lightweight H_1-birth edges, allowing it to capture both connectivity and cycle structure without constructing 2-simplices. Experiments show that ToMA yields stable gains, with clear improvements on remote sensing and modest but consistent benefits on fashion retrieval. Additional analysis shows that ToMA is more stable than alternative topology-based objectives and that lightweight H_1-birth edges provide useful higher-order structural signals.
Junwon You, Mihyun Jang, Sangwoo Mo +1
Apr 23, 2026cs.CV

Local Neighborhood Instability in Parametric Projections: Quantitative and Visual Analysis

Parametric projections let analysts embed new points in real time, but input variations from measurement noise or data drift can produce unpredictable shifts in the 2D layout. Whether and where a projection is locally stable remains largely unexamined. In this paper, we present a stability evaluation framework that probes parametric projections with Gaussian perturbations around selected anchor points and assesses how neighborhoods deform in the 2D embedding. Our approach combines quantitative measures of mean displacement, bias, and nearest-anchor assignment error with per-anchor visualizations of displacement vectors, local PCA ellipsoids, and Voronoi misassignment for detailed inspection. We demonstrate the framework's effectiveness on UMAP- and t-SNE-based neural projectors of varying network sizes and study the effect of Jacobian regularization as a gradient-based robustness strategy. We apply our framework to the MNIST and Fashion-MNIST datasets. The results show that our framework identifies unstable projection regions invisible to reconstruction error or neighborhood-preservation metrics.
Frederik L. Dennig, Daniel A. Keim
Apr 20, 2026cs.LG

Curvature-Aware PCA with Geodesic Tangent Space Aggregation for Semi-Supervised Learning

Principal Component Analysis (PCA) is a fundamental tool for representation learning, but its global linear formulation fails to capture the structure of data supported on curved manifolds. In contrast, manifold learning methods model nonlinearity but often sacrifice the spectral structure and stability of PCA. We propose \emph{Geodesic Tangent Space Aggregation PCA (GTSA-PCA)}, a geometric extension of PCA that integrates curvature awareness and geodesic consistency within a unified spectral framework. Our approach replaces the global covariance operator with curvature-weighted local covariance operators defined over a kk-nearest neighbor graph, yielding local tangent subspaces that adapt to the manifold while suppressing high-curvature distortions. We then introduce a geodesic alignment operator that combines intrinsic graph distances with subspace affinities to globally synchronize these local representations. The resulting operator admits a spectral decomposition whose leading components define a geometry-aware embedding. We further incorporate semi-supervised information to guide the alignment, improving discriminative structure with minimal supervision. Experiments on real datasets show consistent improvements over PCA, Kernel PCA, Supervised PCA and strong graph-based baselines such as UMAP, particularly in small sample size and high-curvature regimes. Our results position GTSA-PCA as a principled bridge between statistical and geometric approaches to dimensionality reduction.
Alexandre L. M. Levada
Apr 17, 2026cs.LG

Green-ELM: Efficient Analytic Learning via High-Dimensional Random Projections

We present Green-ELM, a non-iterative neural architecture that replaces gradient-based optimization of the output layer with a closed-form analytic solution over a fixed, high-dimensional random feature representation. By projecting input manifolds into a high-dimensional, random feature space (d784d \gg 784), our results show that complex class boundaries can be effectively untangled without the computational overhead of backpropagation. Utilizing the Moore-Penrose pseudoinverse, LU and Cholesky decomposition to solve for the output layer in a single analytic step, Green-ELM achieves a classification accuracy of 98.10% on MNIST (d=4000d=4000) and 86.63% on Fashion-MNIST. Furthermore, we experiment with a pre-trained ``frozen-backbone'' based on ResNet-18 to extract high-quality features and show that these one-shot solvers are effective beyond simple datasets. Notably, our baseline CPU configuration on MNIST (d=2000d=2000) achieves 97.15% accuracy in 1.5s, representing a 11.6×\times reduction in reported training time over an SGD baseline while maintaining comparable performance. We observe a near-logarithmic scaling behavior between dimensionality and accuracy, where the accuracy increases approximately logarithmically with hidden dimensionality over the tested range, suggesting that feature-space expansion contributes substantially to performance in these experiments. . This one-shot linear matrix solver approach offers a viable alternative for real-time Edge AI, where the traditional training phase is bypassed in favor of non-iterative manifold representation and readout. Finally, we propose an Empirical Scaling Hypothesis, a framework that models accuracy bounds as a function of high dimensionality and intrinsic dataset complexity.
Wladimir Silva