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By decomposing the image formation process into a sequential application of denoising autoencoders, diffusion models (DMs) achieve state-of-the-art synthesis results on image data and beyond. Additionally, their formulation allows for a…

Computer Vision and Pattern Recognition · Computer Science 2022-04-14 Robin Rombach , Andreas Blattmann , Dominik Lorenz , Patrick Esser , Björn Ommer

Denoising diffusion bridge models (DDBMs) are a powerful variant of diffusion models for interpolating between two arbitrary paired distributions given as endpoints. Despite their promising performance in tasks like image translation, DDBMs…

Machine Learning · Computer Science 2025-05-01 Kaiwen Zheng , Guande He , Jianfei Chen , Fan Bao , Jun Zhu

Diffusion models have emerged as preeminent contenders in the realm of generative models. Distinguished by their distinctive sequential generative processes, characterized by hundreds or even thousands of timesteps, diffusion models…

Computer Vision and Pattern Recognition · Computer Science 2024-04-16 Haojun Sun , Chen Tang , Zhi Wang , Yuan Meng , Jingyan jiang , Xinzhu Ma , Wenwu Zhu

Denoising diffusion models are a powerful type of generative models used to capture complex distributions of real-world signals. However, their applicability is limited to scenarios where training samples are readily available, which is not…

Computer Vision and Pattern Recognition · Computer Science 2023-11-20 Ayush Tewari , Tianwei Yin , George Cazenavette , Semon Rezchikov , Joshua B. Tenenbaum , Frédo Durand , William T. Freeman , Vincent Sitzmann

Diffusion models have recently received a surge of interest due to their impressive performance for image restoration, especially in terms of noise robustness. However, existing diffusion-based methods are trained on a large amount of…

Computer Vision and Pattern Recognition · Computer Science 2023-03-21 Yuchun Miao , Lefei Zhang , Liangpei Zhang , Dacheng Tao

Diffusion probabilistic models (DPMs) are a key component in modern generative models. DPM-solvers have achieved reduced latency and enhanced quality significantly, but have posed challenges to find the exact inverse (i.e., finding the…

Computer Vision and Pattern Recognition · Computer Science 2023-12-01 Seongmin Hong , Kyeonghyun Lee , Suh Yoon Jeon , Hyewon Bae , Se Young Chun

Due to the high complexity and technical requirements of industrial production processes, surface defects will inevitably appear, which seriously affects the quality of products. Although existing lightweight detection networks are highly…

Computer Vision and Pattern Recognition · Computer Science 2024-08-27 Xuyi Yu

Diffusion models (DMs) represent state-of-the-art generative models for continuous inputs. DMs work by constructing a Stochastic Differential Equation (SDE) in the input space (ie, position space), and using a neural network to reverse it.…

Machine Learning · Computer Science 2024-05-14 Tianrong Chen , Jiatao Gu , Laurent Dinh , Evangelos A. Theodorou , Joshua Susskind , Shuangfei Zhai

Denoising diffusion probabilistic models (DDPMs) have achieved high quality image generation without adversarial training, yet they require simulating a Markov chain for many steps to produce a sample. To accelerate sampling, we present…

Machine Learning · Computer Science 2022-10-07 Jiaming Song , Chenlin Meng , Stefano Ermon

Generative models capture the true distribution of data, yielding semantically rich representations. Denoising diffusion models (DDMs) exhibit superior generative capabilities, though efficient representation learning for them are lacking.…

Machine Learning · Computer Science 2025-05-12 Limai Jiang , Yunpeng Cai

Designing de novo 3D molecules with desirable properties remains a fundamental challenge in drug discovery and molecular engineering. While diffusion models have demonstrated remarkable capabilities in generating high-quality 3D molecular…

Machine Learning · Computer Science 2026-01-15 Lianghong Chen , Dongkyu Eugene Kim , Mike Domaratzki , Pingzhao Hu

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

Molecular dynamics (MD) has long been the de facto choice for simulating complex atomistic systems from first principles. Recently deep learning models become a popular way to accelerate MD. Notwithstanding, existing models depend on…

Computational Engineering, Finance, and Science · Computer Science 2023-01-10 Fang Wu , Stan Z. Li

Acquiring reliable microstructure datasets is a pivotal step toward the systematic design of materials with the aid of integrated computational materials engineering (ICME) approaches. However, obtaining three-dimensional (3D)…

Materials Science · Physics 2023-09-26 Kang-Hyun Lee , Gun Jin Yun

Denoising diffusion models have emerged as a dominant paradigm in image generation. Discretizing image data into tokens is a critical step for effectively integrating images with Transformer and other architectures. Although the Denoising…

Computer Vision and Pattern Recognition · Computer Science 2025-12-15 Fei Kong

Diffusion models have shown remarkable performance on many generative tasks. Despite recent success, most diffusion models are restricted in that they only allow linear transformation of the data distribution. In contrast, broader family of…

Machine Learning · Computer Science 2024-06-04 Grigory Bartosh , Dmitry Vetrov , Christian A. Naesseth

Methods for out-of-distribution (OOD) detection that scale to 3D data are crucial components of any real-world clinical deep learning system. Classic denoising diffusion probabilistic models (DDPMs) have been recently proposed as a robust…

Continuous diffusion is a natural framework for non-autoregressive generation but has generally lagged behind masked discrete diffusion models (MDMs) on discrete sequence generation. We argue that the bottleneck is not continuity itself,…

Machine Learning · Computer Science 2026-05-22 Yunshu Wu , Jiayi Cheng , Longxuan Yu , Partha Thakuria , Rob Brekelmans , Evangelos E. Papalexakis , Greg Ver Steeg

Continuous diffusion is a natural framework for non-autoregressive generation but has generally lagged behind masked discrete diffusion models (MDMs) on discrete sequence generation. We argue that the bottleneck is not continuity itself,…

Machine Learning · Computer Science 2026-05-22 Yunshu Wu , Jiayi Cheng , Longxuan Yu , Partha Thakuria , Rob Brekelmans , Evangelos E. Papalexakis , Greg Ver Steeg

Diffusion-based generative models (DBGMs) perturb data to a target noise distribution and reverse this process to generate samples. The choice of noising process, or inference diffusion process, affects both likelihoods and sample quality.…

Machine Learning · Computer Science 2023-03-06 Raghav Singhal , Mark Goldstein , Rajesh Ranganath