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This book presents the core principles that have guided the development of diffusion models, tracing their origins and showing how diverse formulations arise from shared mathematical ideas. Diffusion modeling starts by defining a forward…

Machine Learning · Computer Science 2026-05-28 Chieh-Hsin Lai , Yang Song , Dongjun Kim , Yuki Mitsufuji , Stefano Ermon

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

We report a series of deep learning models to solve complex forward and inverse design problems in molecular modeling and design. Using both diffusion models inspired by nonequilibrium thermodynamics and attention-based transformer…

Materials Science · Physics 2023-06-21 Rachel K. Luu , Marcin Wysokowski , Markus J. Buehler

A recent mode coupling theory of higher-order correlation functions is tested on a simple hard-sphere fluid system at intermediate densities. Multi-point and multi-time correlation functions of the densities of conserved variables are…

Statistical Mechanics · Physics 2009-11-07 Ramses van Zon , Jeremy Schofield

Compositional generalization requires models to produce novel configurations from familiar parts. In diffusion models, prior compositional generation methods typically assume that the relevant concepts or conditioning signals are already…

Machine Learning · Computer Science 2026-05-11 Zekun Wang , Anant Gupta , Tianyi Zhu , Christopher J. MacLellan

Diffusion models have emerged as powerful generative frameworks with widespread applications across machine learning and artificial intelligence systems. While current research has predominantly focused on linear diffusions, these…

Machine Learning · Statistics 2025-10-06 Kulunu Dharmakeerthi , Yousef El-Laham , Henry H. Wong , Vamsi K. Potluru , Changhong He , Taosong He

Copulas are a fundamental tool for modelling multivariate dependencies in data, forming the method of choice in diverse fields and applications. However, the adoption of existing models for multimodal and high-dimensional dependencies is…

Machine Learning · Statistics 2026-05-20 David Huk , Theodoros Damoulas

Diffusion Transformer, the backbone of Sora for video generation, successfully scales the capacity of diffusion models, pioneering new avenues for high-fidelity sequential data generation. Unlike static data such as images, sequential data…

Machine Learning · Computer Science 2025-02-05 Hengyu Fu , Zehao Dou , Jiawei Guo , Mengdi Wang , Minshuo Chen

We analyse how the sampling dynamics of distributions evolve in score-based diffusion models using cross-fluctuations, a centered-moment statistic from statistical physics. Specifically, we show that starting from an unbiased isotropic…

Machine Learning · Computer Science 2026-05-04 Sai Niranjan Ramachandran , Manish Krishan Lal , Suvrit Sra

Many visual scenes can be described as compositions of latent factors. Effective recognition, reasoning, and editing often require not only forming such compositional representations, but also solving the decomposition problem. One popular…

Computer Vision and Pattern Recognition · Computer Science 2026-02-11 Calvin Yeung , Ali Zakeri , Zhuowen Zou , Mohsen Imani

In recent years, diffusion models have achieved remarkable success in various domains of artificial intelligence, such as image synthesis, super-resolution, and 3D molecule generation. However, the application of diffusion models in graph…

Machine Learning · Computer Science 2023-06-26 Run Yang , Yuling Yang , Fan Zhou , Qiang Sun

Diffusion models are loosely modelled based on non-equilibrium thermodynamics, where \textit{diffusion} refers to particles flowing from high-concentration regions towards low-concentration regions. In statistics, the meaning is quite…

Machine Learning · Computer Science 2023-12-19 Inga Strümke , Helge Langseth

Diffusion models have been recently studied as powerful generative inverse problem solvers, owing to their high quality reconstructions and the ease of combining existing iterative solvers. However, most works focus on solving simple linear…

Machine Learning · Statistics 2025-10-06 Hyungjin Chung , Jeongsol Kim , Michael T. Mccann , Marc L. Klasky , Jong Chul Ye

Diffusion models are commonly interpreted as learning the score function, i.e., the gradient of the log-density of noisy data. However, this assumption implies that the target of learning is a conservative vector field, which is not…

Machine Learning · Computer Science 2025-09-03 An B. Vuong , Michael T. McCann , Javier E. Santos , Yen Ting Lin

Diffusion models have emerged as state-of-the-art generative methods for image synthesis, yet their potential as general-purpose feature encoders remains underexplored. Trained for denoising and generation without labels, they can be…

Computer Vision and Pattern Recognition · Computer Science 2026-01-21 A. Nieto Juscafresa , Á. Mazcuñán Herreros , J. Sullivan

Diffusion models have recently attained significant interest within the community owing to their strong performance as generative models. Furthermore, its application to inverse problems have demonstrated state-of-the-art performance.…

Image and Video Processing · Electrical Eng. & Systems 2022-03-22 Hyungjin Chung , Byeongsu Sim , Jong Chul Ye

We propose closed-form conditional diffusion models for data assimilation. Diffusion models use data to learn the score function (defined as the gradient of the log-probability density of a data distribution), allowing them to generate new…

Machine Learning · Statistics 2026-04-02 Brianna Binder , Agnimitra Dasgupta , Assad Oberai

Reversing a diffusion process by learning its score forms the heart of diffusion-based generative modeling and for estimating properties of scientific systems. The diffusion processes that are tractable center on linear processes with a…

Machine Learning · Computer Science 2024-07-12 Raghav Singhal , Mark Goldstein , Rajesh Ranganath

We study the problem of learning mixtures of $k$ Gaussians in $d$ dimensions. We make no separation assumptions on the underlying mixture components: we only require that the covariance matrices have bounded condition number and that the…

Data Structures and Algorithms · Computer Science 2024-11-20 Sitan Chen , Vasilis Kontonis , Kulin Shah

Conventional diffusion models typically relies on a fixed forward process, which implicitly defines complex marginal distributions over latent variables. This can often complicate the reverse process' task in learning generative…

Machine Learning · Statistics 2025-06-10 Grigory Bartosh , Dmitry Vetrov , Christian A. Naesseth