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Diffusion models have successfully been applied to generative tasks in various continuous domains. However, applying diffusion to discrete categorical data remains a non-trivial task. Moreover, generation in continuous domains often…

Machine Learning · Computer Science 2023-08-21 Jaesung Tae

Recent advances in generative models have made exploring design spaces easier for de novo molecule generation. However, popular generative models like GANs and normalizing flows face challenges such as training instabilities due to…

Diffusion models have recently achieved remarkable success in generative modeling, yet they are commonly formulated as black-box stochastic systems with limited interpretability and few structural guarantees. In this paper, we establish a…

Mathematical Physics · Physics 2026-01-13 Majid Darehmiraki

Score-based diffusion models have emerged as one of the most promising frameworks for deep generative modelling. In this work we conduct a systematic comparison and theoretical analysis of different approaches to learning conditional…

Machine Learning · Computer Science 2021-11-29 Georgios Batzolis , Jan Stanczuk , Carola-Bibiane Schönlieb , Christian Etmann

Sampling based on score diffusions has led to striking empirical results, and has attracted considerable attention from various research communities. It depends on availability of (approximate) Stein score functions for various levels of…

Statistics Theory · Mathematics 2026-01-01 M. J. Wainwright

We propose a novel algorithm for the support estimation of partially known Gaussian graphical models that incorporates prior information about the underlying graph. In contrast to classical approaches that provide a point estimate based on…

Machine Learning · Statistics 2024-02-26 Martín Sevilla , Antonio García Marques , Santiago Segarra

Existing diffusion-based methods for inverse problems sample from the posterior using score functions and accept the generated random samples as solutions. In applications that posterior mean is preferred, we have to generate multiple…

Machine Learning · Computer Science 2024-10-10 Zhipeng Xue , Penghao Cai , Xiaojun Yuan , Xiqi Gao

Score matching is an approach to learning probability distributions parametrized up to a constant of proportionality (e.g. Energy-Based Models). The idea is to fit the score of the distribution, rather than the likelihood, thus avoiding the…

Machine Learning · Computer Science 2024-01-31 Yilong Qin , Andrej Risteski

Score-based diffusion models are a highly effective method for generating samples from a distribution of images. We consider scenarios where the training data comes from a noisy version of the target distribution, and present an efficiently…

Machine Learning · Statistics 2025-09-30 Dennis Elbrächter , Giovanni S. Alberti , Matteo Santacesaria

We study zero-shot conditional sampling with pretrained diffusion models for linear inverse problems, including inpainting and super-resolution. In these problems, the observation determines only part of the unknown signal. The remaining…

Machine Learning · Computer Science 2026-05-08 Ahmad Aghapour , Erhan Bayraktar , Asaf Cohen

Score-based diffusion models learn to reverse a stochastic differential equation that maps data to noise. However, for complex tasks, numerical error can compound and result in highly unnatural samples. Previous work mitigates this drift…

Machine Learning · Statistics 2023-06-12 Aaron Lou , Stefano Ermon

We present a position Langevin equation for overdamped particle motion on rough two-dimensional surfaces. A Brownian Dynamics algorithm is suggested to evolve this equation numerically, allowing for the prediction of effective (projected)…

Soft Condensed Matter · Physics 2009-11-13 Ali Naji , Frank L. H. Brown

Most existing graph diffusion models have significant bias problems. We observe that the forward diffusion's maximum perturbation distribution in most models deviates from the standard Gaussian distribution, while reverse sampling…

Computer Vision and Pattern Recognition · Computer Science 2026-04-03 Meng Yu , Kun Zhan

Bayesian methods of sampling from a posterior distribution are becoming increasingly popular due to their ability to precisely display the uncertainty of a model fit. Classical methods based on iterative random sampling and posterior…

Machine Learning · Statistics 2022-11-04 Jacopo Guidolin , Vyacheslav Kungurtsev , Ondřej Kuželka

This work explores the theoretical and practical foundations of denoising diffusion probabilistic models (DDPMs) and score-based generative models, which leverage stochastic processes and Brownian motion to model complex data distributions.…

Machine Learning · Computer Science 2024-12-30 Jathin Korrapati , Tanish Baranwal , Rahul Shah

Drawing from the theory of stochastic differential equations, we introduce a novel sampling method for known distributions and a new algorithm for diffusion generative models with unknown distributions. Our approach is inspired by the…

Statistics Theory · Mathematics 2024-07-12 Xicheng Zhang

Score-based diffusion models demonstrate superior performance in generative tasks but encounter fundamental bottlenecks in inverse problems due to the analytical intractability of the time-dependent likelihood score. To bridge this gap, we…

Optimization and Control · Mathematics 2026-05-28 Boyang Zhang , Zhiguo Wang , Ya-Feng Liu

We establish a sharp uniform-in-time error estimate for the Stochastic Gradient Langevin Dynamics (SGLD), which is a widely-used sampling algorithm. Under mild assumptions, we obtain a uniform-in-time $O(\eta^2)$ bound for the KL-divergence…

Probability · Mathematics 2025-03-20 Lei Li , Yuliang Wang

We propose score dynamics (SD), a general framework for learning accelerated evolution operators with large timesteps from molecular-dynamics simulations. SD is centered around scores, or derivatives of the transition log-probability with…

Computational Physics · Physics 2024-03-08 Tim Hsu , Babak Sadigh , Vasily Bulatov , Fei Zhou

Proposed in Hyv\"arinen (2005), score matching is a parameter estimation procedure that does not require computation of distributional normalizing constants. In this work we utilize the geometric median of means to develop a robust score…

Machine Learning · Statistics 2025-06-23 Richard Schwank , Andrew McCormack , Mathias Drton
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