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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

Diffusion models are gaining widespread use in cutting-edge image, video, and audio generation. Score-based diffusion models stand out among these methods, necessitating the estimation of score function of the input data distribution. In…

Machine Learning · Computer Science 2024-05-24 Fangzhao Zhang , Mert Pilanci

Denoising Diffusion Probabilistic Models (DDPM) are powerful state-of-the-art methods used to generate synthetic data from high-dimensional data distributions and are widely used for image, audio, and video generation as well as many more…

Machine Learning · Statistics 2025-04-25 Iskander Azangulov , George Deligiannidis , Judith Rousseau

Deep generative models (DGMs) are effective on learning multilayered representations of complex data and performing inference of input data by exploring the generative ability. However, it is relatively insufficient to empower the…

Computer Vision and Pattern Recognition · Computer Science 2016-11-23 Chongxuan Li , Jun Zhu , Bo Zhang

This paper investigates score-based diffusion models when the underlying target distribution is concentrated on or near low-dimensional manifolds within the higher-dimensional space in which they formally reside, a common characteristic of…

Machine Learning · Computer Science 2025-01-03 Gen Li , Yuling Yan

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

Diffusion models have demonstrated remarkable efficacy in generating high-quality samples. Existing diffusion-based image restoration algorithms exploit pre-trained diffusion models to leverage data priors, yet they still preserve elements…

Image and Video Processing · Electrical Eng. & Systems 2024-08-07 Hongjie Wu , Linchao He , Mingqin Zhang , Dongdong Chen , Kunming Luo , Mengting Luo , Ji-Zhe Zhou , Hu Chen , Jiancheng Lv

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

Pre-trained diffusion models have emerged as powerful generative priors for both unconditional and conditional sample generation, yet their outputs often deviate from the characteristics of user-specific target data. Such mismatches are…

Machine Learning · Computer Science 2026-01-14 Matina Mahdizadeh Sani , Nima Jamali , Mohammad Jalali , Farzan Farnia

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

Generative models such as Generative Adversarial Networks (GANs) and Variational Auto-Encoders (VAEs) are widely utilized to model the generative process of user interactions. However, these generative models suffer from intrinsic…

Information Retrieval · Computer Science 2025-06-26 Wenjie Wang , Yiyan Xu , Fuli Feng , Xinyu Lin , Xiangnan He , Tat-Seng Chua

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

In modern radar systems, target detection and parameter estimation face significant challenges when confronted with mainlobe jamming. This paper presents a Diffusion-based Model and Data Dual-driven (DMDD) approach to estimate and detect…

Signal Processing · Electrical Eng. & Systems 2025-12-01 Ruohai Guo , Jiang Zhu , Chengjie Yu , Zhigang Wang , Ning Zhang , Fengzhong Qu , Min Gong

Diffusion Models are probabilistic models that create realistic samples by simulating the diffusion process, gradually adding and removing noise from data. These models have gained popularity in domains such as image processing, speech…

Computer Vision and Pattern Recognition · Computer Science 2024-08-21 Md Manjurul Ahsan , Shivakumar Raman , Yingtao Liu , Zahed Siddique

Employing a forward diffusion chain to gradually map the data to a noise distribution, diffusion-based generative models learn how to generate the data by inferring a reverse diffusion chain. However, this approach is slow and costly…

Machine Learning · Statistics 2023-09-08 Huangjie Zheng , Pengcheng He , Weizhu Chen , Mingyuan Zhou

Diffusion-based generative models are extremely effective in generating high-quality images, with generated samples often surpassing the quality of those produced by other models under several metrics. One distinguishing feature of these…

Machine Learning · Computer Science 2022-10-25 Ashwini Pokle , Zhengyang Geng , Zico Kolter

Deep generative models (DGM) are neural networks with many hidden layers trained to approximate complicated, high-dimensional probability distributions using a large number of samples. When trained successfully, we can use the DGMs to…

Machine Learning · Computer Science 2021-04-13 Lars Ruthotto , Eldad Haber

Diffusion models have emerged from various theoretical and methodological perspectives, each offering unique insights into their underlying principles. In this work, we provide an overview of the most prominent approaches, drawing attention…

Machine Learning · Computer Science 2024-09-04 Solveig Klepper

Recent advances in diffusion models have demonstrated their strong capabilities in generating high-fidelity samples from complex distributions through an iterative refinement process. Despite the empirical success of diffusion models in…

Robotics · Computer Science 2024-07-03 Chaoyi Pan , Zeji Yi , Guanya Shi , Guannan Qu

We propose a novel diffusion-based image generation method called the observation-guided diffusion probabilistic model (OGDM), which effectively addresses the tradeoff between quality control and fast sampling. Our approach reestablishes…

Machine Learning · Computer Science 2024-04-02 Junoh Kang , Jinyoung Choi , Sungik Choi , Bohyung Han
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