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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

We propose a new Neural Galerkin Normalizing Flow framework to approximate the transition probability density function of a diffusion process by solving the corresponding Fokker-Planck equation with an atomic initial distribution,…

Machine Learning · Computer Science 2026-03-20 Riccardo Saporiti , Fabio Nobile

Diffusion models (DMs) create samples from a data distribution by starting from random noise and iteratively solving a reverse-time ordinary differential equation (ODE). Because each step in the iterative solution requires an expensive…

Machine Learning · Computer Science 2025-02-25 Eric Frankel , Sitan Chen , Jerry Li , Pang Wei Koh , Lillian J. Ratliff , Sewoong Oh

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

Score-based generative models (SGMs) have emerged as one of the most popular classes of generative models. A substantial body of work now exists on the analysis of SGMs, focusing either on discretization aspects or on their statistical…

Machine Learning · Statistics 2026-02-10 Benjamin Dupuis , Dario Shariatian , Maxime Haddouche , Alain Durmus , Umut Simsekli

Score-based diffusion models generate new samples by learning the score function associated with a diffusion process. While the effectiveness of these models can be theoretically explained using differential equations related to the…

Machine Learning · Computer Science 2026-01-21 Doheon Kim

Diffusion models achieve high-quality image generation but are limited by slow iterative sampling. Distillation methods alleviate this by enabling one- or few-step generation. Flow matching, originally introduced as a distinct framework,…

Computer Vision and Pattern Recognition · Computer Science 2025-12-04 Mingyuan Zhou , Yi Gu , Huangjie Zheng , Liangchen Song , Guande He , Yizhe Zhang , Wenze Hu , Yinfei Yang

Discrete-time diffusion-based generative models and score matching methods have shown promising results in modeling high-dimensional image data. Recently, Song et al. (2021) show that diffusion processes that transform data into noise can…

Machine Learning · Computer Science 2021-10-01 Chin-Wei Huang , Jae Hyun Lim , Aaron Courville

Despite the widespread adoption of deterministic samplers in diffusion models (DMs), their potential limitations remain largely unexplored. In this paper, we identify collapse errors, a previously unrecognized phenomenon in ODE-based…

Machine Learning · Computer Science 2025-08-25 Yi Zhang , Zhenyu Liao , Jingfeng Wu , Difan Zou

Simulating parameter-dependent stochastic differential equations (SDEs) presents significant computational challenges, as separate high-fidelity simulations are typically required for each parameter value of interest. Despite the success of…

Machine Learning · Statistics 2026-02-03 Minglei Yang , Sicheng He

Score-based diffusion models (SBDM) have recently emerged as state-of-the-art approaches for image generation. Existing SBDMs are typically formulated in a finite-dimensional setting, where images are considered as tensors of finite size.…

Machine Learning · Computer Science 2024-10-22 Paul Hagemann , Sophie Mildenberger , Lars Ruthotto , Gabriele Steidl , Nicole Tianjiao Yang

We present a novel generative modeling method called diffusion normalizing flow based on stochastic differential equations (SDEs). The algorithm consists of two neural SDEs: a forward SDE that gradually adds noise to the data to transform…

Machine Learning · Computer Science 2021-10-15 Qinsheng Zhang , Yongxin Chen

We study the regularity of the score function in score-based generative models and show that it naturally adapts to the smoothness of the data distribution. Under minimal assumptions, we establish Lipschitz estimates that directly support…

Statistics Theory · Mathematics 2025-06-25 Arthur Stéphanovitch

Sampling from Diffusion Models can alternatively be seen as solving differential equations, where there is a challenge in balancing speed and image visual quality. ODE-based samplers offer rapid sampling time but reach a performance limit,…

Machine Learning · Computer Science 2025-02-28 Qinpeng Cui , Xinyi Zhang , Qiqi Bao , Qingmin Liao

Diffusion-based generative processes, formulated as differential equation solving, frequently balance computational speed with sample quality. Our theoretical investigation of ODE- and SDE-based solvers reveals complementary weaknesses: ODE…

Computer Vision and Pattern Recognition · Computer Science 2025-11-03 Ruoyu Wang , Beier Zhu , Junzhi Li , Liangyu Yuan , Chi Zhang

Generative models can be categorized into two types: explicit generative models that define explicit density forms and allow exact likelihood inference, such as score-based diffusion models (SDMs) and normalizing flows; implicit generative…

Machine Learning · Statistics 2023-07-06 Jingwei Zhang , Han Shi , Jincheng Yu , Enze Xie , Zhenguo Li

This is a pedagogical review of the possible connection between the stochastic quantization in physics and the diffusion models in machine learning. For machine-learning applications, the denoising diffusion model has been established as a…

High Energy Physics - Lattice · Physics 2025-01-13 Kenji Fukushima , Syo Kamata

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

We provide full theoretical guarantees for the convergence behaviour of diffusion-based generative models under the assumption of strongly log-concave data distributions while our approximating class of functions used for score estimation…

Machine Learning · Computer Science 2025-02-18 Stefano Bruno , Ying Zhang , Dong-Young Lim , Ömer Deniz Akyildiz , Sotirios Sabanis

We study the statistical properties of the dynamic trajectory of stochastic gradient descent (SGD). We approximate the mini-batch SGD and the momentum SGD as stochastic differential equations (SDEs). We exploit the continuous formulation of…

Machine Learning · Computer Science 2021-12-03 Xiaowu Dai , Yuhua Zhu