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A valuable step in the modeling of multiscale dynamical systems in fields such as computational chemistry, biology, materials science and more, is the representative sampling of the phase space over long timescales of interest; this task is…

Machine Learning · Computer Science 2023-12-29 Ellis R. Crabtree , Juan M. Bello-Rivas , Ioannis G. Kevrekidis

Score-based generative models (SGMs) are a powerful class of generative models that exhibit remarkable empirical performance. Score-based generative modelling (SGM) consists of a ``noising'' stage, whereby a diffusion is used to gradually…

Machine Learning · Computer Science 2022-11-23 Valentin De Bortoli , Emile Mathieu , Michael Hutchinson , James Thornton , Yee Whye Teh , Arnaud Doucet

Diffusion models have emerged as an expressive family of generative models rivaling GANs in sample quality and autoregressive models in likelihood scores. Standard diffusion models typically require hundreds of forward passes through the…

Machine Learning · Computer Science 2022-02-14 Daniel Watson , William Chan , Jonathan Ho , Mohammad Norouzi

Denoising diffusion probabilistic models (DDPM) are a class of generative models which have recently been shown to produce excellent samples. We show that with a few simple modifications, DDPMs can also achieve competitive log-likelihoods…

Machine Learning · Computer Science 2021-02-22 Alex Nichol , Prafulla Dhariwal

Diffusion-based models have shown great promise in molecular generation but often require a large number of sampling steps to generate valid samples. In this paper, we introduce a novel Straight-Line Diffusion Model (SLDM) to tackle this…

Machine Learning · Computer Science 2025-06-10 Yuyan Ni , Shikun Feng , Haohan Chi , Bowen Zheng , Huan-ang Gao , Wei-Ying Ma , Zhi-Ming Ma , Yanyan Lan

Diffusion probabilistic models (DPMs) are a new class of generative models that have achieved state-of-the-art generation quality in various domains. Despite the promise, one major drawback of DPMs is the slow generation speed due to the…

Machine Learning · Computer Science 2023-06-16 Enshu Liu , Xuefei Ning , Zinan Lin , Huazhong Yang , Yu Wang

Diffusion models are a new class of generative models that revolve around the estimation of the score function associated with a stochastic differential equation. Subsequent to its acquisition, the approximated score function is then…

Statistics Theory · Mathematics 2024-09-13 Giovanni Conforti , Alain Durmus , Marta Gentiloni Silveri

Diffusion models have quickly become some of the most popular and powerful generative models for high-dimensional data. The key insight that enabled their development was the realization that access to the score -- the gradient of the…

Machine Learning · Computer Science 2025-12-01 Zhenghan Fang , Mateo Díaz , Sam Buchanan , Jeremias Sulam

Score-based generative models can effectively learn the distribution of data by estimating the gradient of the distribution. Due to the multi-step denoising characteristic, researchers have recently considered combining score-based…

Machine Learning · Computer Science 2024-12-17 Changyuan Zhao , Hongyang Du , Guangyuan Liu , Dusit Niyato

The vast applications of deep generative models are anchored in three core capabilities -- generating new instances, reconstructing inputs, and learning compact representations -- across various data types, such as discrete text/protein…

Machine Learning · Computer Science 2024-06-06 Guangyi Liu , Yu Wang , Zeyu Feng , Qiyu Wu , Liping Tang , Yuan Gao , Zhen Li , Shuguang Cui , Julian McAuley , Zichao Yang , Eric P. Xing , Zhiting Hu

Can standard continuous-time generative models represent distributions whose support is an extremely sparse, globally constrained discrete set? We study this question using completed Sudoku grids as a controlled testbed, treating them as a…

Machine Learning · Computer Science 2026-01-29 Mariia Drozdova

Transformer-based diffusion models have demonstrated remarkable performance at generating high-quality samples. However, our theoretical understanding of the reasons for this success remains limited. For instance, existing models are…

Machine Learning · Computer Science 2026-04-14 Hongkang Li , Hancheng Min , Rene Vidal

Designing biological sequences is an important challenge that requires satisfying complex constraints and thus is a natural problem to address with deep generative modeling. Diffusion generative models have achieved considerable success in…

Machine Learning · Computer Science 2023-06-19 Pavel Avdeyev , Chenlai Shi , Yuhao Tan , Kseniia Dudnyk , Jian Zhou

Score-based generative modeling (SGM) is a highly successful approach for learning a probability distribution from data and generating further samples. We prove the first polynomial convergence guarantees for the core mechanic behind SGM:…

Machine Learning · Computer Science 2023-05-04 Holden Lee , Jianfeng Lu , Yixin Tan

Score-based modeling through stochastic differential equations (SDEs) has provided a new perspective on diffusion models, and demonstrated superior performance on continuous data. However, the gradient of the log-likelihood function, i.e.,…

Machine Learning · Computer Science 2023-03-07 Haoran Sun , Lijun Yu , Bo Dai , Dale Schuurmans , Hanjun Dai

Diffusion models generate samples by estimating the score function of the target distribution at various noise levels. The model is trained using samples drawn from the target distribution by progressively adding noise. Previous sample…

Machine Learning · Computer Science 2025-10-28 Syamantak Kumar , Dheeraj Nagaraj , Purnamrita Sarkar

Most existing theoretical investigations of the accuracy of diffusion models, albeit significant, assume the score function has been approximated to a certain accuracy, and then use this a priori bound to control the error of generation.…

Machine Learning · Computer Science 2024-10-29 Yuqing Wang , Ye He , Molei Tao

Diffusion models have emerged as powerful deep generative techniques, producing high-quality and diverse samples in applications in various domains including audio. While existing reviews provide overviews, there remains limited in-depth…

Sound · Computer Science 2026-01-16 Ge Zhu , Yutong Wen , Zhiyao Duan

We establish a connection between stochastic optimal control and generative models based on stochastic differential equations (SDEs), such as recently developed diffusion probabilistic models. In particular, we derive a…

Machine Learning · Computer Science 2024-03-27 Julius Berner , Lorenz Richter , Karen Ullrich

Diffusion-based generative models represent the current state-of-the-art for image generation. However, standard diffusion models are based on Euclidean geometry and do not translate directly to manifold-valued data. In this work, we…

Machine Learning · Computer Science 2023-12-20 Yesukhei Jagvaral , Francois Lanusse , Rachel Mandelbaum
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