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Diffusion Monte Carlo (DMC) is one of the most accurate techniques available for calculating the electronic properties of molecules and materials, yet it often remains a challenge to economically compute forces using this technique. As a…

Chemical Physics · Physics 2022-11-15 Cancan Huang , Brenda M. Rubenstein

Diffusion-based generative modeling has been achieving state-of-the-art results on various generation tasks. Most diffusion models, however, are limited to a single-generation modeling. Can we generalize diffusion models with the ability of…

Computer Vision and Pattern Recognition · Computer Science 2024-09-26 Changyou Chen , Han Ding , Bunyamin Sisman , Yi Xu , Ouye Xie , Benjamin Z. Yao , Son Dinh Tran , Belinda Zeng

Diffusion models have become a leading framework in generative modeling, yet their theoretical understanding -- especially for high-dimensional data concentrated on low-dimensional structures -- remains incomplete. This paper investigates…

Machine Learning · Computer Science 2026-04-29 Zixuan Zhang , Kaixuan Huang , Tuo Zhao , Mengdi Wang , Minshuo Chen

Diffusion models (DMs) have been adopted across diverse fields with its remarkable abilities in capturing intricate data distributions. In this paper, we propose a Fast Diffusion Model (FDM) to significantly speed up DMs from a stochastic…

Computer Vision and Pattern Recognition · Computer Science 2023-10-05 Zike Wu , Pan Zhou , Kenji Kawaguchi , Hanwang Zhang

Diffusion models have achieved remarkable success in image and video generation. In this work, we demonstrate that diffusion models can also \textit{generate high-performing neural network parameters}. Our approach is simple, utilizing an…

Machine Learning · Computer Science 2025-01-03 Kai Wang , Dongwen Tang , Boya Zeng , Yida Yin , Zhaopan Xu , Yukun Zhou , Zelin Zang , Trevor Darrell , Zhuang Liu , Yang You

Deep generative models learn the data distribution, which is concentrated on a low-dimensional manifold. The geometric analysis of distribution transformation provides a better understanding of data structure and enables a variety of…

Computer Vision and Pattern Recognition · Computer Science 2024-06-28 Junhao Chen , Manyi Li , Zherong Pan , Xifeng Gao , Changhe Tu

Proteins are complex biomolecules that perform a variety of crucial functions within living organisms. Designing and generating novel proteins can pave the way for many future synthetic biology applications, including drug discovery.…

The reaction-diffusion models have been extensively applied to explain the mechanism of pattern formations in early embryogenesis based on geometrically confined microtissues consisting of human pluripotent stem cells. Recently, mechanical…

Biological Physics · Physics 2022-11-22 Tiankai Zhao , Hongyan Yuan

The computational intensity of detector simulation and event reconstruction poses a significant difficulty for data analysis in collider experiments. This challenge inspires the continued development of machine learning techniques to serve…

High Energy Physics - Experiment · Physics 2024-11-22 Dmitrii Kobylianskii , Nathalie Soybelman , Nilotpal Kakati , Etienne Dreyer , Benjamin Nachman , Eilam Gross

Diffusion models have shown unprecedented success in the task of text-to-image generation. While these models are capable of generating high-quality and realistic images, the complexity of sequential denoising has raised societal concerns…

Computer Vision and Pattern Recognition · Computer Science 2024-12-24 Qinchan Li , Kenneth Chen , Changyue Su , Qi Sun

Diffusion models (DMs) are a powerful generative framework that have attracted significant attention in recent years. However, the high computational cost of training DMs limits their practical applications. In this paper, we start with a…

Machine Learning · Computer Science 2024-04-12 Tianshuo Xu , Peng Mi , Ruilin Wang , Yingcong Chen

Probabilistic denoising diffusion models (DDMs) have set a new standard for 2D image generation. Extending DDMs for 3D content creation is an active field of research. Here, we propose TetraDiffusion, a diffusion model that operates on a…

Computer Vision and Pattern Recognition · Computer Science 2024-08-12 Nikolai Kalischek , Torben Peters , Jan D. Wegner , Konrad Schindler

Density Functional Theory (DFT) allows for predicting all the chemical and physical properties of molecular systems from first principles by finding an approximate solution to the many-body Schr\"odinger equation. However, the cost of these…

Machine Learning · Computer Science 2025-06-03 Majdi Hassan , Cristian Gabellini , Hatem Helal , Dominique Beaini , Kirill Neklyudov

Diffusion models are generative models that have shown significant advantages compared to other generative models in terms of higher generation quality and more stable training. However, the computational need for training diffusion models…

Computer Vision and Pattern Recognition · Computer Science 2023-07-06 Gulcin Baykal , Halil Faruk Karagoz , Taha Binhuraib , Gozde Unal

Reaction-diffusion systems have been proposed as a model for pattern formation and morphogenesis. The Fickian diffusion typically employed in these constructions model the Brownian motion of particles. The biological and chemical elements…

Quantitative Methods · Quantitative Biology 2023-11-09 Siddhartha Srivastava , Krishna Garikipati

Diffusion models have demonstrated significant potential in achieving state-of-the-art performance across various text generation tasks. In this systematic study, we investigate their application to the table-to-text problem by adapting the…

Computation and Language · Computer Science 2024-09-24 Aleksei S. Krylov , Oleg D. Somov

We explain how to use diffusion models to learn inverse renormalization group flows of statistical and quantum field theories. Diffusion models are a class of machine learning models which have been used to generate samples from complex…

High Energy Physics - Theory · Physics 2023-09-07 Jordan Cotler , Semon Rezchikov

Diffusion models have revolutionized generative tasks through high-fidelity outputs, yet flow matching (FM) offers faster inference and empirical performance gains. However, current foundation FM models are computationally prohibitive for…

Computer Vision and Pattern Recognition · Computer Science 2025-06-04 Johannes Schusterbauer , Ming Gui , Frank Fundel , Björn Ommer

This Letter introduces an approach for precisely designing surface friction properties using a conditional generative machine learning model, specifically a diffusion denoising probabilistic model (DDPM). We created a dataset of synthetic…

Computational Physics · Physics 2024-01-11 Even Marius Nordhagen , Henrik Andersen Sveinsson , Anders Malthe-Sørenssen

We introduce Efficient Motion Diffusion Model (EMDM) for fast and high-quality human motion generation. Current state-of-the-art generative diffusion models have produced impressive results but struggle to achieve fast generation without…

Computer Vision and Pattern Recognition · Computer Science 2024-11-26 Wenyang Zhou , Zhiyang Dou , Zeyu Cao , Zhouyingcheng Liao , Jingbo Wang , Wenjia Wang , Yuan Liu , Taku Komura , Wenping Wang , Lingjie Liu