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Iolo Jones

Publications and source records attributed to Iolo Jones.

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Riemannian Metric Matching for Scalable Geometric Modeling of Distributions

High-dimensional datasets often concentrate near low-dimensional structures, but estimating their geometry from samples typically relies on graphs and kernels that scale poorly with dataset size and dimension. We propose Riemannian metric matching: a denoising probabilistic framework for learning the Riemannian geometry of data using neural networks. Specifically, we learn the carr\'e du champ operator, which, using diffusion geometry, gives us access to the Riemannian geometry toolkit for downstream machine learning and statistical tasks. Our key observation is that the carr\'e du champ operator can be formulated as a conditional expectation over random perturbations of the data, which can be exploited for sample-wise training and constant cost, amortized inference without explicit kernel construction. Empirically, metric matching rivals or improves the accuracy of $k$-NN-based diffusion geometry estimators, while enabling amortized inference that is up to $400\times$ faster, and supports graph-free geometric analysis on high-dimensional images where nearest neighbors break down.

cs.LG

Why Are DMD Students Lazy? Understanding the Copying Behavior in Few-Step Distillation

Distribution Matching Distillation (DMD) compresses pretrained diffusion models into efficient few-step generators by aligning their noised distributions across all scales. In principle, such distribution-level supervision remains agnostic to specific noise-data pairings of the teacher; this provides the student the freedom to remap latent noise, a behavior consistently observed in low-dimensional settings. Surprisingly, we find that in high-dimensional settings, distilled students spontaneously reproduce the original noise-data pairings of the teacher, a phenomenon we term copying. We demonstrate that copying is neither a byproduct of adversarial objectives nor a result of teacher memorization. Instead, our evidence suggests that copying is an emergent property arising from the limited geometric freedom of the student model during high-dimensional distillation.

cs.LG

Computing Diffusion Geometry

Calculus and geometry are ubiquitous in the theoretical modelling of scientific phenomena, but have historically been very challenging to apply directly to real data as statistics. Diffusion geometry is a new theory that reformulates classical calculus and geometry in terms of a diffusion process, allowing these theories to generalise beyond manifolds and be computed from data. This work introduces a new computational framework for diffusion geometry that substantially broadens its practical scope and improves its precision, robustness to noise, and computational complexity. We present a range of new computational methods, including all the standard objects from vector calculus and Riemannian geometry, and apply them to solve spatial PDEs and vector field flows, find geodesic (intrinsic) distances, curvature, and several new topological tools like de Rham cohomology, circular coordinates, and Morse theory. These methods are data-driven, scalable, and can exploit highly optimised numerical tools for linear algebra.

math.DG

Carr\'e du champ flow matching: better quality-generalisation tradeoff in generative models

Deep generative models often face a fundamental tradeoff: high sample quality can come at the cost of memorisation, where the model reproduces training data rather than generalising across the underlying data geometry. We introduce Carr\'e du champ flow matching (CDC-FM), a generalisation of flow matching (FM), that improves the quality-generalisation tradeoff by regularising the probability path with a geometry-aware noise. Our method replaces the homogeneous, isotropic noise in FM with a spatially varying, anisotropic Gaussian noise whose covariance captures the local geometry of the latent data manifold. We prove that this geometric noise can be optimally estimated from the data and is scalable to large data. Further, we provide an extensive experimental evaluation on diverse datasets (synthetic manifolds, point clouds, single-cell genomics, animal motion capture, and images) as well as various neural network architectures (MLPs, CNNs, and transformers). We demonstrate that CDC-FM consistently offers a better quality-generalisation tradeoff. We observe significant improvements over standard FM in data-scarce regimes and in highly non-uniformly sampled datasets, which are often encountered in AI for science applications. Our work provides a mathematical framework for studying the interplay between data geometry, generalisation and memorisation in generative models, as well as a robust and scalable algorithm that can be readily integrated into existing flow matching pipelines.

cs.LG

Manifold Diffusion Geometry: Curvature, Tangent Spaces, and Dimension

We introduce novel estimators for computing the curvature, tangent spaces, and dimension of data from manifolds, using tools from diffusion geometry. Although classical Riemannian geometry is a rich source of inspiration for geometric data analysis and machine learning, it has historically been hard to implement these methods in a way that performs well statistically. Diffusion geometry lets us develop Riemannian geometry methods that are accurate and, crucially, also extremely robust to noise and low-density data. The methods we introduce here are comparable to the existing state-of-the-art on ideal dense, noise-free data, but significantly outperform them in the presence of noise or sparsity. In particular, our dimension estimate improves on the existing methods on a challenging benchmark test when even a small amount of noise is added. Our tangent space and scalar curvature estimates do not require parameter selection and substantially improve on existing techniques.

math.DG

Diffusion Geometry

We introduce diffusion geometry as a new framework for geometric and topological data analysis. Diffusion geometry uses the Bakry-Emery $\Gamma$-calculus of Markov diffusion operators to define objects from Riemannian geometry on a wide range of probability spaces. We construct statistical estimators for these objects from a sample of data, and so introduce a whole family of new methods for geometric data analysis and computational geometry. This includes vector fields and differential forms on the data, and many of the important operators in exterior calculus. Unlike existing methods like persistent homology and local principal component analysis, diffusion geometry is explicitly related to Riemannian geometry, and is significantly more robust to noise, significantly faster to compute, provides a richer topological description (like the cup product on cohomology), and is naturally vectorised for statistics and machine learning. We find that diffusion geometry outperforms multiparameter persistent homology as a biomarker for real and simulated tumour histology data and can robustly measure the manifold hypothesis by detecting singularities in manifold-like data.

math.MG

Algebraic Dynamical Systems in Machine Learning

We introduce an algebraic analogue of dynamical systems, based on term rewriting. We show that a recursive function applied to the output of an iterated rewriting system defines a formal class of models into which all the main architectures for dynamic machine learning models (including recurrent neural networks, graph neural networks, and diffusion models) can be embedded. Considered in category theory, we also show that these algebraic models are a natural language for describing the compositionality of dynamic models. Furthermore, we propose that these models provide a template for the generalisation of the above dynamic models to learning problems on structured or non-numerical data, including 'hybrid symbolic-numeric' models.

math.CT