MLSep 27, 2024
Convergence of Diffusion Models Under the Manifold Hypothesis in High-DimensionsIskander Azangulov, George Deligiannidis, Judith Rousseau · oxford
Denoising Diffusion Probabilistic Models (DDPM) are powerful state-of-the-art methods used to generate synthetic data from high-dimensional data distributions and are widely used for image, audio, and video generation as well as many more applications in science and beyond. The \textit{manifold hypothesis} states that high-dimensional data often lie on lower-dimensional manifolds within the ambient space, and is widely believed to hold in provided examples. While recent results have provided invaluable insight into how diffusion models adapt to the manifold hypothesis, they do not capture the great empirical success of these models, making this a very fruitful research direction. In this work, we study DDPMs under the manifold hypothesis and prove that they achieve rates independent of the ambient dimension in terms of score learning. In terms of sampling complexity, we obtain rates independent of the ambient dimension w.r.t. the Kullback-Leibler divergence, and $O(\sqrt{D})$ w.r.t. the Wasserstein distance. We do this by developing a new framework connecting diffusion models to the well-studied theory of extrema of Gaussian Processes.
MEAug 31, 2022
Stationary Kernels and Gaussian Processes on Lie Groups and their Homogeneous Spaces I: the compact caseIskander Azangulov, Andrei Smolensky, Alexander Terenin et al.
Gaussian processes are arguably the most important class of spatiotemporal models within machine learning. They encode prior information about the modeled function and can be used for exact or approximate Bayesian learning. In many applications, particularly in physical sciences and engineering, but also in areas such as geostatistics and neuroscience, invariance to symmetries is one of the most fundamental forms of prior information one can consider. The invariance of a Gaussian process' covariance to such symmetries gives rise to the most natural generalization of the concept of stationarity to such spaces. In this work, we develop constructive and practical techniques for building stationary Gaussian processes on a very large class of non-Euclidean spaces arising in the context of symmetries. Our techniques make it possible to (i) calculate covariance kernels and (ii) sample from prior and posterior Gaussian processes defined on such spaces, both in a practical manner. This work is split into two parts, each involving different technical considerations: part I studies compact spaces, while part II studies non-compact spaces possessing certain structure. Our contributions make the non-Euclidean Gaussian process models we study compatible with well-understood computational techniques available in standard Gaussian process software packages, thereby making them accessible to practitioners.
76.8LGMay 13Code
Sampling from Flow Language Models via Marginal-Conditioned BridgesIskander Azangulov, Leo Zhang
Flow Language Models (FLMs) are a recently introduced class of language models which adapt continuous flow matching for one-hot encoded token sequences. Their denoisers have a special structure absent from generic continuous diffusion models: each block of the denoising mean is a posterior marginal distribution over the clean token at that position. Standard DDPM-style samplers collapse these marginals to a single conditional-mean endpoint and bridge toward this simplex-valued point, which is generally not a valid one-hot sequence. We argue that the natural sampler for an FLM is instead posterior-predictive. At each reverse step, we sample a clean one-hot endpoint from the factorized posterior defined by the FLM token marginals, and then sample the next continuous state from the analytic Ornstein--Uhlenbeck bridge conditioned on that endpoint. The method is training-free, uses the same model evaluations as standard sampling, and gives a principled interface for token-level decoding controls such as temperature scaling and nucleus truncation. We show that, under exact posterior marginals, the endpoint approximation error is exactly the conditional multi-information among token positions. The induced one-step bridge kernel preserves all token-wise posterior-predictive marginals and loses only the residual cross-position dependence. Finally, we prove a Girsanov path-space comparison showing that the marginal-conditioned bridge has a no-larger denoising-error term than the frozen conditional-mean bridge, with strict improvement whenever intermediate coordinate-wise bridge observations reveal additional information about the clean token. Experiments with FLMs show that the sampler improves the quality--diversity tradeoff. Code is available at: github.com/imbirik/mcb.
MEJan 30, 2023
Stationary Kernels and Gaussian Processes on Lie Groups and their Homogeneous Spaces II: non-compact symmetric spacesIskander Azangulov, Andrei Smolensky, Alexander Terenin et al.
Gaussian processes are arguably the most important class of spatiotemporal models within machine learning. They encode prior information about the modeled function and can be used for exact or approximate Bayesian learning. In many applications, particularly in physical sciences and engineering, but also in areas such as geostatistics and neuroscience, invariance to symmetries is one of the most fundamental forms of prior information one can consider. The invariance of a Gaussian process' covariance to such symmetries gives rise to the most natural generalization of the concept of stationarity to such spaces. In this work, we develop constructive and practical techniques for building stationary Gaussian processes on a very large class of non-Euclidean spaces arising in the context of symmetries. Our techniques make it possible to (i) calculate covariance kernels and (ii) sample from prior and posterior Gaussian processes defined on such spaces, both in a practical manner. This work is split into two parts, each involving different technical considerations: part I studies compact spaces, while part II studies non-compact spaces possessing certain structure. Our contributions make the non-Euclidean Gaussian process models we study compatible with well-understood computational techniques available in standard Gaussian process software packages, thereby making them accessible to practitioners.
LGJul 10, 2024
The GeometricKernels Package: Heat and Matérn Kernels for Geometric Learning on Manifolds, Meshes, and GraphsPeter Mostowsky, Vincent Dutordoir, Iskander Azangulov et al.
Kernels are a fundamental technical primitive in machine learning. In recent years, kernel-based methods such as Gaussian processes are becoming increasingly important in applications where quantifying uncertainty is of key interest. In settings that involve structured data defined on graphs, meshes, manifolds, or other related spaces, defining kernels with good uncertainty-quantification behavior, and computing their value numerically, is less straightforward than in the Euclidean setting. To address this difficulty, we present GeometricKernels, a Python software package which implements the geometric analogs of classical Euclidean squared exponential - also known as heat - and Matérn kernels, which are widely-used in settings where uncertainty is of key interest. As a byproduct, we obtain the ability to compute Fourier-feature-type expansions, which are widely used in their own right, on a wide set of geometric spaces. Our implementation supports automatic differentiation in every major current framework simultaneously via a backend-agnostic design. In this companion paper to the package and its documentation, we outline the capabilities of the package and present an illustrated example of its interface. We also include a brief overview of the theory the package is built upon and provide some historic context in the appendix.
MLOct 11, 2024
Linear Convergence of Diffusion Models Under the Manifold HypothesisPeter Potaptchik, Iskander Azangulov, George Deligiannidis · oxford
Score-matching generative models have proven successful at sampling from complex high-dimensional data distributions. In many applications, this distribution is believed to concentrate on a much lower $d$-dimensional manifold embedded into $D$-dimensional space; this is known as the manifold hypothesis. The current best-known convergence guarantees are either linear in $D$ or polynomial (superlinear) in $d$. The latter exploits a novel integration scheme for the backward SDE. We take the best of both worlds and show that the number of steps diffusion models require in order to converge in Kullback-Leibler~(KL) divergence is linear (up to logarithmic terms) in the intrinsic dimension $d$. Moreover, we show that this linear dependency is sharp.
MLMay 25, 2025
Adaptive Diffusion Guidance via Stochastic Optimal ControlIskander Azangulov, Peter Potaptchik, Qinyu Li et al. · oxford
Guidance is a cornerstone of modern diffusion models, playing a pivotal role in conditional generation and enhancing the quality of unconditional samples. However, current approaches to guidance scheduling--determining the appropriate guidance weight--are largely heuristic and lack a solid theoretical foundation. This work addresses these limitations on two fronts. First, we provide a theoretical formalization that precisely characterizes the relationship between guidance strength and classifier confidence. Second, building on this insight, we introduce a stochastic optimal control framework that casts guidance scheduling as an adaptive optimization problem. In this formulation, guidance strength is not fixed but dynamically selected based on time, the current sample, and the conditioning class, either independently or in combination. By solving the resulting control problem, we establish a principled foundation for more effective guidance in diffusion models.
LGOct 24, 2025
Parallel Sampling from Masked Diffusion Models via Conditional Independence TestingIskander Azangulov, Teodora Pandeva, Niranjani Prasad et al.
Masked diffusion models (MDMs) offer a compelling alternative to autoregressive models (ARMs) for discrete text generation because they enable parallel token sampling, rather than sequential, left-to-right generation. This means potentially much faster inference. However, effective parallel sampling faces two competing requirements: (i) simultaneously updated tokens must be conditionally independent, and (ii) updates should prioritise high-confidence predictions. These goals conflict because high-confidence predictions often cluster and depend on each other, opportunities for parallel updates. We present PUNT, a model-agnostic sampler that reconciles this trade-off. Our method identifies token dependencies and removes lower-confidence tokens from conflicting groups. This produces sets of indices for unmasking that satisfy both independence and confidence criteria. Our approach ensures improved parallel unmasking through approximate conditional independence testing. Our experiments show that PUNT delivers a superior trade-off between accuracy and compute when compared to other strong training-free baselines, especially for generation of longer sequences. On the IFEval benchmark, it achieves up to 16\% higher accuracy over baseline methods, including sequential generation (one-by-one). These gains hold across different values of hyperparameters, mitigating the need for brittle hyperparameter tuning. Moreover, we observe that PUNT induces an emergent hierarchical generation strategy, where the model first establishes high-level paragraph structure before local refinement, suggesting a planning-like generation process that contributes to strong alignment performance.
MLOct 29, 2020
Matérn Gaussian Processes on GraphsViacheslav Borovitskiy, Iskander Azangulov, Alexander Terenin et al.
Gaussian processes are a versatile framework for learning unknown functions in a manner that permits one to utilize prior information about their properties. Although many different Gaussian process models are readily available when the input space is Euclidean, the choice is much more limited for Gaussian processes whose input space is an undirected graph. In this work, we leverage the stochastic partial differential equation characterization of Matérn Gaussian processes - a widely-used model class in the Euclidean setting - to study their analog for undirected graphs. We show that the resulting Gaussian processes inherit various attractive properties of their Euclidean and Riemannian analogs and provide techniques that allow them to be trained using standard methods, such as inducing points. This enables graph Matérn Gaussian processes to be employed in mini-batch and non-conjugate settings, thereby making them more accessible to practitioners and easier to deploy within larger learning frameworks.