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Translational diffusion coefficients are routinely estimated from molecular dynamics simulations. Linear fits to mean squared displacement (MSD) curves have become the de facto standard, from simple liquids to complex biomacromolecules.…

Computational Physics · Physics 2020-11-20 Jakob Tómas Bullerjahn , Sören von Bülow , Gerhard Hummer

In this article we consider likelihood-based estimation of static parameters for a class of partially observed McKean-Vlasov (POMV) diffusion process with discrete-time observations over a fixed time interval. In particular, using the…

Methodology · Statistics 2024-11-12 Ajay Jasra , Mohamed Maama , Raul Tempone

Given the importance of continuous-time stochastic volatility models to describe the dynamics of interest rates, we propose a goodness-of-fit test for the parametric form of the drift and diffusion functions, based on a marked empirical…

Despite the remarkable empirical success of score-based diffusion models, their statistical guarantees remain underdeveloped. Existing analyses often provide pessimistic convergence rates that do not reflect the intrinsic low-dimensional…

Machine Learning · Statistics 2026-04-24 Saptarshi Chakraborty , Quentin Berthet , Peter L. Bartlett

Discrete diffusion language models (dLLMs) provide a fast and flexible alternative to autoregressive models (ARMs) via iterative denoising with parallel updates. However, their evaluation is challenging: existing metrics conflate denoiser…

Machine Learning · Computer Science 2026-05-29 Luhan Tang , Longxuan Yu , Shaorong Zhang , Greg Ver Steeg

While efficient distribution learning is no doubt behind the groundbreaking success of diffusion modeling, its theoretical guarantees are quite limited. In this paper, we provide the first rigorous analysis on approximation and…

Machine Learning · Statistics 2023-03-06 Kazusato Oko , Shunta Akiyama , Taiji Suzuki

Wave propagation problems have many applications in physics and engineering, and the stochastic effects are important in accurately modeling them due to the uncertainty of the media. This paper considers and analyzes a fully discrete finite…

Numerical Analysis · Mathematics 2021-06-30 Yukun Li , Shuonan Wu , Yulong Xing

Recent years have witnessed significant progress in developing effective training and fast sampling techniques for diffusion models. A remarkable advancement is the use of stochastic differential equations (SDEs) and their…

Computer Vision and Pattern Recognition · Computer Science 2024-08-26 Defang Chen , Zhenyu Zhou , Jian-Ping Mei , Chunhua Shen , Chun Chen , Can Wang

The mean field limits of systems of interacting diffusions (also called stochastic interacting particle systems (SIPS)) have been intensively studied since McKean \cite{mckean1966class}. The interacting diffusions pave a way to…

Probability · Mathematics 2021-04-06 Lukasz Szpruch , Shuren Tan , Alvin Tse

Diffusion generative models synthesize samples by discretizing reverse-time dynamics driven by a learned score (or denoiser). Existing convergence analyses of diffusion models typically scale at least linearly with the ambient dimension,…

Machine Learning · Computer Science 2026-01-30 Ahmad Aghapour , Erhan Bayraktar , Ziqing Zhang

Diffusion models have become a standard approach for generative modeling in continuous domains, yet their application to discrete data remains challenging. We investigate why Gaussian diffusion models with the DDPM solver struggle to sample…

Computation and Language · Computer Science 2026-05-28 Alexander Shabalin , Simon Elistratov , Viacheslav Meshchaninov , Ildus Sadrtdinov , Dmitry Vetrov

Diffusions are a successful technique to sample from high-dimensional distributions. The target distribution can be either explicitly given or learnt from a collection of samples. They implement a diffusion process whose endpoint is a…

Machine Learning · Computer Science 2025-09-03 Andrea Montanari

Discrete diffusion models (DDMs) are a powerful class of generative models for categorical data, but they typically require many function evaluations for a single sample, making inference expensive. Existing acceleration methods either rely…

Machine Learning · Computer Science 2025-12-16 Yansong Gao , Yu Sun

Diffusion models have emerged as a promising approach for text generation, with recent works falling into two main categories: discrete and continuous diffusion models. Discrete diffusion models apply token corruption independently using…

Computation and Language · Computer Science 2025-05-29 Bocheng Li , Zhujin Gao , Linli Xu

Diffusion models (DMs) have revolutionized generative learning. They utilize a diffusion process to encode data into a simple Gaussian distribution. However, encoding a complex, potentially multimodal data distribution into a single…

Machine Learning · Computer Science 2024-07-04 Yilun Xu , Gabriele Corso , Tommi Jaakkola , Arash Vahdat , Karsten Kreis

Stochastic models of diffusion with excluded-volume effects are used to model many biological and physical systems at a discrete level. The average properties of the population may be described by a continuum model based on partial…

Chemical Physics · Physics 2012-12-20 Maria Bruna , S. Jonathan Chapman

The diffraction of stochastic point sets, both Bernoulli and Markov, and of random tilings with crystallographic symmetries is investigated in rigorous terms. In particular, we derive the diffraction spectrum of 1D random tilings, of…

Mathematical Physics · Physics 2015-06-26 Michael Baake , Moritz Hoeffe

This paper studies the theoretical underpinnings of machine learning of ergodic It\^o diffusions. The objective is to understand the convergence properties of the invariant statistics when the underlying system of stochastic differential…

Machine Learning · Computer Science 2021-10-04 He Zhang , John Harlim , Xiantao Li

Diffusion models have had a profound impact on many application areas, including those where data are intrinsically infinite-dimensional, such as images or time series. The standard approach is first to discretize and then to apply…

Machine Learning · Statistics 2025-06-09 Jakiw Pidstrigach , Youssef Marzouk , Sebastian Reich , Sven Wang

Discrete diffusion models achieve strong performance in text and image generation, but their inference remains slow and must inherently balance sampling efficiency and sample quality. In this work, we present a systematic study of how the…

Machine Learning · Computer Science 2026-05-27 William Yuan , Sungwon Jeong , Amirali Aghazadeh