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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

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

Diffusion models have emerged as a powerful new family of deep generative models with record-breaking performance in many applications, including image synthesis, video generation, and molecule design. In this survey, we provide an overview…

Machine Learning · Computer Science 2025-09-30 Ling Yang , Zhilong Zhang , Yang Song , Shenda Hong , Runsheng Xu , Yue Zhao , Wentao Zhang , Bin Cui , Ming-Hsuan Yang

Generative modeling has drawn much attention in creative and scientific data generation tasks. Score-based Diffusion Models, a type of generative model that iteratively learns to denoise data, have shown state-of-the-art results on tasks…

Robotics · Computer Science 2024-05-21 Tyler Presser , Agnimitra Dasgupta , Daniel Erwin , Assad Oberai

We propose a novel diffusion map particle system (DMPS) for generative modeling, based on diffusion maps and Laplacian-adjusted Wasserstein gradient descent (LAWGD). Diffusion maps are used to approximate the generator of the corresponding…

Machine Learning · Statistics 2024-12-19 Fengyi Li , Youssef Marzouk

Training deep learning methods on small time series datasets that also include corrupted samples is challenging. Diffusion models have shown to be effective to generate realistic and synthetic data, and correct corrupted samples through…

Machine Learning · Computer Science 2025-09-17 Julian Ripper , Ousama Esbel , Rafael Fietzek , Max Mühlhäuser , Thomas Kreutz

Diffusion Models (DMs) have disrupted the image Super-Resolution (SR) field and further closed the gap between image quality and human perceptual preferences. They are easy to train and can produce very high-quality samples that exceed the…

Computer Vision and Pattern Recognition · Computer Science 2024-11-06 Brian B. Moser , Arundhati S. Shanbhag , Federico Raue , Stanislav Frolov , Sebastian Palacio , Andreas Dengel

Generative tasks about molecules, including but not limited to molecule generation, are crucial for drug discovery and material design, and have consistently attracted significant attention. In recent years, diffusion models have emerged as…

Machine Learning · Computer Science 2025-02-14 Liang Wang , Chao Song , Zhiyuan Liu , Yu Rong , Qiang Liu , Shu Wu , Liang Wang

Diffusion models offer stable training and state-of-the-art performance for deep generative modeling tasks. Here, we consider their use in the context of multivariate subsurface modeling and probabilistic inversion. We first demonstrate…

Computer Vision and Pattern Recognition · Computer Science 2026-01-28 Roberto Miele , Niklas Linde

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

Text-to-image generation models have achieved remarkable capabilities in synthesizing images, but often struggle to provide fine-grained control over the output. Existing guidance approaches, such as segmentation maps and depth maps,…

Computer Vision and Pattern Recognition · Computer Science 2025-05-20 Sangmin Jung , Utkarsh Nath , Yezhou Yang , Giulia Pedrielli , Joydeep Biswas , Amy Zhang , Hassan Ghasemzadeh , Pavan Turaga

The unprecedented amount of data generated from experiments, field observations, and large-scale numerical simulations at a wide range of spatio-temporal scales have enabled the rapid advancement of data-driven and especially deep learning…

Computational Physics · Physics 2024-06-19 Suraj Pawar , Omer San , Aditya Nair , Adil Rasheed , Trond Kvamsdal

Diffusion models have shown promise in forecasting future data from multivariate time series. However, few existing methods account for recurring structures, or patterns, that appear within the data. We present Pattern-Guided Diffusion…

Machine Learning · Computer Science 2025-12-17 Vivian Lin , Kuk Jin Jang , Wenwen Si , Insup Lee

Generative diffusion processes are an emerging and effective tool for image and speech generation. In the existing methods, the underline noise distribution of the diffusion process is Gaussian noise. However, fitting distributions with…

Machine Learning · Computer Science 2021-06-17 Eliya Nachmani , Robin San Roman , Lior Wolf

Diffusion Models (DMs) are powerful generative models that add Gaussian noise to the data and learn to remove it. We wanted to determine which noise distribution (Gaussian or non-Gaussian) led to better generated data in DMs. Since DMs do…

Machine Learning · Computer Science 2023-04-13 Alexia Jolicoeur-Martineau , Kilian Fatras , Ke Li , Tal Kachman

By formulating data samples' formation as a Markov denoising process, diffusion models achieve state-of-the-art performances in a collection of tasks. Recently, many variants of diffusion models have been proposed to enable controlled…

Machine Learning · Computer Science 2023-04-17 Hengtong Zhang , Tingyang Xu

With the incredible results achieved from generative pre-trained transformers (GPT) and diffusion models, generative AI (GenAI) is envisioned to yield remarkable breakthroughs in various industrial and academic domains. In this paper, we…

Information Theory · Computer Science 2023-09-19 Mehdi Letafati , Samad Ali , Matti Latva-aho

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

Image completion techniques have made significant progress in filling missing regions (i.e., holes) in images. However, large-hole completion remains challenging due to limited structural information. In this paper, we address this problem…

Computer Vision and Pattern Recognition · Computer Science 2023-09-07 Daichi Horita , Jiaolong Yang , Dong Chen , Yuki Koyama , Kiyoharu Aizawa , Nicu Sebe

Being the most cutting-edge generative methods, diffusion methods have shown great advances in wide generation tasks. Among them, graph generation attracts significant research attention for its broad application in real life. In our…

Machine Learning · Computer Science 2024-07-17 Hongyang Chen , Can Xu , Lingyu Zheng , Qiang Zhang , Xuemin Lin
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