Willem Diepeveen

Willem Diepeveen, Deanna Needell

Classical archetypal analysis is appealing for its interpretability, but its linear geometry can limit performance on data with strongly non-linear structure; at the same time, existing neural extensions improve flexibility while often weakening the geometric meaning of archetypes and interpolations. In this work, we develop a Riemannian version of archetypal analysis based on data-driven pullback geometry for real-valued data, with the goal of combining the interpretability of classical archetypal analysis with the expressive power of modern non-linear models. We introduce a class of deformed star distributions together with associated pullback Riemannian geometry to provide a statistical interpretation of the resulting manifold mappings, define the Riemannian archetypal mapping (RAM) as a projection onto the manifold of geodesically convex combinations of archetypes, and propose a practical optimization scheme based on convex relaxation followed by non-convex refinement. We further propose a learning scheme that yields reasonable, albeit generally suboptimal, deformed star distributions from data. Experiments on synthetic examples and MNIST show that the resulting framework produces meaningful geodesics, useful denoising projections, and geometry-aware classifications, while also clarifying where current optimization limitations remain.

Willem Diepeveen, Oscar Leong

Modern generative modeling methods have demonstrated strong performance in learning complex data distributions from clean samples. In many scientific and imaging applications, however, clean samples are unavailable, and only noisy or linearly corrupted measurements can be observed. Moreover, latent structures, such as manifold geometries, present in the data are important to extract for further downstream scientific analysis. In this work, we introduce Riemannian AmbientFlow, a framework for simultaneously learning a probabilistic generative model and the underlying, nonlinear data manifold directly from corrupted observations. Building on the variational inference framework of AmbientFlow, our approach incorporates data-driven Riemannian geometry induced by normalizing flows, enabling the extraction of manifold structure through pullback metrics and Riemannian Autoencoders. We establish theoretical guarantees showing that, under appropriate geometric regularization and measurement conditions, the learned model recovers the underlying data distribution up to a controllable error and yields a smooth, bi-Lipschitz manifold parametrization. We further show that the resulting smooth decoder can serve as a principled generative prior for inverse problems with recovery guarantees. We empirically validate our approach on low-dimensional synthetic manifolds and on MNIST.

Willem Diepeveen

Data sets tend to live in low-dimensional non-linear subspaces. Ideal data analysis tools for such data sets should therefore account for such non-linear geometry. The symmetric Riemannian geometry setting can be suitable for a variety of reasons. First, it comes with a rich mathematical structure to account for a wide range of non-linear geometries that has been shown to be able to capture the data geometry through empirical evidence from classical non-linear embedding. Second, many standard data analysis tools initially developed for data in Euclidean space can also be generalised efficiently to data on a symmetric Riemannian manifold. A conceptual challenge comes from the lack of guidelines for constructing a symmetric Riemannian structure on the data space itself and the lack of guidelines for modifying successful algorithms on symmetric Riemannian manifolds for data analysis to this setting. This work considers these challenges in the setting of pullback Riemannian geometry through a diffeomorphism. The first part of the paper characterises diffeomorphisms that result in proper, stable and efficient data analysis. The second part then uses these best practices to guide construction of such diffeomorphisms through deep learning. As a proof of concept, different types of pullback geometries -- among which the proposed construction -- are tested on several data analysis tasks and on several toy data sets. The numerical experiments confirm the predictions from theory, i.e., that the diffeomorphisms generating the pullback geometry need to map the data manifold into a geodesic subspace of the pulled back Riemannian manifold while preserving local isometry around the data manifold for proper, stable and efficient data analysis, and that pulling back positive curvature can be problematic in terms of stability.

Willem Diepeveen, Deanna Needell

Modern machine learning increasingly leverages the insight that high-dimensional data often lie near low-dimensional, non-linear manifolds, an idea known as the manifold hypothesis. By explicitly modeling the geometric structure of data through learning Riemannian geometry algorithms can achieve improved performance and interpretability in tasks like clustering, dimensionality reduction, and interpolation. In particular, learned pullback geometry has recently undergone transformative developments that now make it scalable to learn and scalable to evaluate, which further opens the door for principled non-linear data analysis and interpretable machine learning. However, there are still steps to be taken when considering real-world multi-modal data. This work focuses on addressing distortions and modeling errors that can arise in the multi-modal setting and proposes to alleviate both challenges through isometrizing the learned Riemannian structure and balancing regularity and expressivity of the diffeomorphism parametrization. We showcase the effectiveness of the synergy of the proposed approaches in several numerical experiments with both synthetic and real data.

Joyce Chew, Willem Diepeveen, Deanna Needell

Data with underlying nonlinear structure are collected across numerous application domains, necessitating new data processing and analysis methods adapted to nonlinear domain structure. Riemannanian manifolds present a rich environment in which to develop such tools, as manifold-valued data arise in a variety of scientific settings, and Riemannian geometry provides a solid theoretical grounding for geometric data analysis. Low-rank approximations, such as nonnegative matrix factorization (NMF), are the foundation of many Euclidean data analysis methods, so adaptations of these factorizations for manifold-valued data are important building blocks for further development of manifold data analysis. In this work, we propose curvature corrected nonnegative manifold data factorization (CC-NMDF) as a geometry-aware method for extracting interpretable factors from manifold-valued data, analogous to nonnegative matrix factorization. We develop an efficient iterative algorithm for computing CC-NMDF and demonstrate our method on real-world diffusion tensor magnetic resonance imaging data.

Willem Diepeveen, Melanie Weber

High-dimensional data that exhibit an intrinsic low-dimensional structure are ubiquitous in machine learning and data science. While various approaches allow for learning the corresponding data manifold from finite samples, performing downstream tasks such as optimization directly on these learned manifolds presents a significant challenge. This work introduces a principled framework for optimization on learned data manifolds using iso-Riemannian geometry. Our approach addresses key limitations of classical Riemannian optimization in this setting, specifically, that the Levi-Civita connection fails to yield constant-speed geodesics, and that geodesic convexity assumptions break down under the learned pullback constructions commonly used in practice. To overcome these challenges, we propose new notions of monotonicity and Lipschitz continuity tailored to the iso-Riemannian setting and propose iso-Riemannian descent algorithms for which we provide a detailed convergence analysis. We demonstrate the practical effectiveness of those algorithms on both synthetic and real datasets, including MNIST under a learned pullback structure. Our approach yields interpretable barycentres, improved clustering, and provably efficient solutions to inverse problems, even in high-dimensional settings. These results establish that optimization under iso-Riemannian geometry can overcome distortions inherent to learned manifold mappings.

Willem Diepeveen, Jon Schwenk, Andrea Bertozzi

We present Latent Diffeomorphic Dynamic Mode Decomposition (LDDMD), a new data reduction approach for the analysis of non-linear systems that combines the interpretability of Dynamic Mode Decomposition (DMD) with the predictive power of Recurrent Neural Networks (RNNs). Notably, LDDMD maintains simplicity, which enhances interpretability, while effectively modeling and learning complex non-linear systems with memory, enabling accurate predictions. This is exemplified by its successful application in streamflow prediction.