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Generative modeling of crystalline materials using diffusion models presents a series of challenges: the data distribution is characterized by inherent symmetries and involves multiple modalities, with some defined on specific manifolds.…

We propose a Markov chain Monte Carlo (MCMC) algorithm based on third-order Langevin dynamics for sampling from distributions with log-concave and smooth densities. The higher-order dynamics allow for more flexible discretization schemes,…

Machine Learning · Statistics 2020-05-27 Wenlong Mou , Yi-An Ma , Martin J. Wainwright , Peter L. Bartlett , Michael I. Jordan

We provide theoretical convergence guarantees for score-based generative models (SGMs) such as denoising diffusion probabilistic models (DDPMs), which constitute the backbone of large-scale real-world generative models such as DALL$\cdot$E…

Machine Learning · Computer Science 2023-04-18 Sitan Chen , Sinho Chewi , Jerry Li , Yuanzhi Li , Adil Salim , Anru R. Zhang

Error bounds are derived for sampling and estimation using a discretization of an intrinsically defined Langevin diffusion with invariant measure $\text{d}\mu_\phi \propto e^{-\phi} \mathrm{dvol}_g $ on a compact Riemannian manifold. Two…

Statistics Theory · Mathematics 2025-12-10 Karthik Bharath , Alexander Lewis , Akash Sharma , Michael V Tretyakov

Sampling from a high-dimensional probability distribution is a fundamental algorithmic task arising in wide-ranging applications across multiple disciplines, including scientific computing, computational statistics and machine learning.…

Statistics Theory · Mathematics 2026-05-11 Bin Yang , Xiaojie Wang

Diffusion models are distinguished by their exceptional generative performance, particularly in producing high-quality samples through iterative denoising. While current theory suggests that the number of denoising steps required for…

Machine Learning · Computer Science 2025-04-08 Gen Li , Changxiao Cai , Yuting Wei

Sampling from distributions play a crucial role in aiding practitioners with statistical inference. However, in numerous situations, obtaining exact samples from complex distributions is infeasible. Consequently, researchers often turn to…

Computation · Statistics 2024-04-01 Riddhiman Bhattacharya , Tiefeng Jiang

An effective approach for sampling from unnormalized densities is based on the idea of gradually transporting samples from an easy prior to the complicated target distribution. Two popular methods are (1) Sequential Monte Carlo (SMC), where…

Machine Learning · Statistics 2025-09-09 Junhua Chen , Lorenz Richter , Julius Berner , Denis Blessing , Gerhard Neumann , Anima Anandkumar

We study the problem of approximate sampling from non-log-concave distributions, e.g., Gaussian mixtures, which is often challenging even in low dimensions due to their multimodality. We focus on performing this task via Markov chain Monte…

Machine Learning · Statistics 2024-05-30 Tim Tsz-Kit Lau , Han Liu , Thomas Pock

In this paper, we provide non-asymptotic upper bounds on the error of sampling from a target density using three schemes of discretized Langevin diffusions. The first scheme is the Langevin Monte Carlo (LMC) algorithm, the Euler…

Statistics Theory · Mathematics 2021-12-07 Arnak S. Dalalyan , Avetik Karagulyan , Lionel Riou-Durand

Markov chain Monte Carlo samplers based on discretizations of (overdamped) Langevin dynamics are commonly used in the Bayesian inference and computational statistical physics literature to estimate high-dimensional integrals. One can…

Numerical Analysis · Mathematics 2025-08-11 Tony Lelièvre , Régis Santet , Gabriel Stoltz

We present a novel generative approach based on Denoising Diffusion Models (DDMs), which produces high-quality image samples along with their losslessly compressed bit-stream representations. This is obtained by replacing the standard…

Image and Video Processing · Electrical Eng. & Systems 2025-07-29 Guy Ohayon , Hila Manor , Tomer Michaeli , Michael Elad

The diffusion model has recently emerged as a potent approach in computer vision, demonstrating remarkable performances in the field of generative artificial intelligence. Capable of producing high-quality synthetic images, diffusion models…

Image and Video Processing · Electrical Eng. & Systems 2025-05-14 Abdullah , Tao Huang , Ickjai Lee , Euijoon Ahn

Denoising diffusion probabilistic models (DDPMs) have achieved impressive performance on various image generation tasks, including image super-resolution. By learning to reverse the process of gradually diffusing the data distribution into…

Image and Video Processing · Electrical Eng. & Systems 2023-07-25 Kai Zhao , Alex Ling Yu Hung , Kaifeng Pang , Haoxin Zheng , Kyunghyun Sung

Deep distance metric learning (DDML), which is proposed to learn image similarity metrics in an end-to-end manner based on the convolution neural network, has achieved encouraging results in many computer vision tasks.$L2$-normalization in…

Computer Vision and Pattern Recognition · Computer Science 2018-03-29 Xuefei Zhe , Shifeng Chen , Hong Yan

Diffusion generative models (DMs) have achieved promising results in image and graph generation. However, real-world graphs, such as social networks, molecular graphs, and traffic graphs, generally share non-Euclidean topologies and hidden…

Machine Learning · Computer Science 2024-01-04 Lingfeng Wen , Xuan Tang , Mingjie Ouyang , Xiangxiang Shen , Jian Yang , Daxin Zhu , Mingsong Chen , Xian Wei

Diffusion models are a state-of-the-art generative modeling framework that transform noise to images via Langevin sampling, guided by the score, which is the gradient of the logarithm of the data distribution. Recent works have shown…

Machine Learning · Computer Science 2025-08-01 Aadithya Srikanth , Siddarth Asokan , Nishanth Shetty , Chandra Sekhar Seelamantula

Along with the recent advances in scalable Markov Chain Monte Carlo methods, sampling techniques that are based on Langevin diffusions have started receiving increasing attention. These so called Langevin Monte Carlo (LMC) methods are based…

Computation · Statistics 2017-06-14 Umut Şimşekli

The Langevin sampling method relies on an accurate score matching while the existing massive multiple-input multiple output (MIMO) Langevin detection involves an inevitable singular value decomposition (SVD) to calculate the posterior…

Signal Processing · Electrical Eng. & Systems 2024-04-23 Lanxin He , Zheng Wang , Yongming Huang

It is known that gradient-based MCMC samplers for continuous spaces, such as Langevin Monte Carlo (LMC), can be derived as particle versions of a gradient flow that minimizes KL divergence on a Wasserstein manifold. The superior efficiency…

Machine Learning · Computer Science 2023-02-24 Haoran Sun , Hanjun Dai , Bo Dai , Haomin Zhou , Dale Schuurmans