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Molecular conformation generation, a critical aspect of computational chemistry, involves producing the three-dimensional conformer geometry for a given molecule. Generating molecular conformation via diffusion requires learning to reverse…

Computational Physics · Physics 2023-10-10 Zihan Zhou , Ruiying Liu , Chaolong Ying , Ruimao Zhang , Tianshu Yu

Diffusion models have recently attained significant interest within the community owing to their strong performance as generative models. Furthermore, its application to inverse problems have demonstrated state-of-the-art performance.…

Image and Video Processing · Electrical Eng. & Systems 2022-03-22 Hyungjin Chung , Byeongsu Sim , Jong Chul Ye

Diffusion-based generative models are machine learning models that use diffusion processes to learn the probability distribution of high-dimensional data. In recent years, they have become extremely successful in generating multimedia…

Disordered Systems and Neural Networks · Physics 2025-02-12 Stefano Bae , Enzo Marinari , Federico Ricci-Tersenghi

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

Many existing adversarial attacks generate $L_p$-norm perturbations on image RGB space. Despite some achievements in transferability and attack success rate, the crafted adversarial examples are easily perceived by human eyes. Towards…

Computer Vision and Pattern Recognition · Computer Science 2023-12-01 Jianqi Chen , Hao Chen , Keyan Chen , Yilan Zhang , Zhengxia Zou , Zhenwei Shi

We consider infinite-dimensional diffusions where the interaction between the coordinates has a finite extent both in space and time. In particular, it is not supposed to be smooth or Markov. The initial state of the system is Gibbs, given…

Mathematical Physics · Physics 2013-12-03 Sylvie Roelly , Wioletta Ruszel

Diffusion models, which convert noise into new data instances by learning to reverse a diffusion process, have become a cornerstone in contemporary generative modeling. In this work, we develop non-asymptotic convergence theory for a…

Machine Learning · Computer Science 2024-08-06 Gen Li , Yuting Wei , Yuejie Chi , Yuxin Chen

This article is concerned with the mathematical analysis of a family of adaptive importance sampling algorithms applied to diffusion processes. These methods, referred to as Adaptive Biasing Potential methods, are designed to efficiently…

Probability · Mathematics 2018-05-10 Michel Benaïm , Charles-Edouard Bréhier

We propose self-diffusion, a novel framework for solving inverse problems without relying on pretrained generative models. Traditional diffusion-based approaches require training a model on a clean dataset to learn to reverse the forward…

Machine Learning · Computer Science 2025-12-09 Guanxiong Luo , Shoujin Huang , Yanlong Yang

Score-based generative models (SGMs) have revolutionized the field of generative modeling, achieving unprecedented success in generating realistic and diverse content. Despite empirical advances, the theoretical basis for why optimizing the…

Machine Learning · Computer Science 2024-08-30 Gen Li , Yuling Yan

We propose Diffusion Inference-Time T-Optimization (DITTO), a general-purpose frame-work for controlling pre-trained text-to-music diffusion models at inference-time via optimizing initial noise latents. Our method can be used to optimize…

Sound · Computer Science 2024-06-04 Zachary Novack , Julian McAuley , Taylor Berg-Kirkpatrick , Nicholas J. Bryan

Diffusion models have recently achieved remarkable success in generative modeling, yet they are commonly formulated as black-box stochastic systems with limited interpretability and few structural guarantees. In this paper, we establish a…

Mathematical Physics · Physics 2026-01-13 Majid Darehmiraki

Diffusion has emerged as a powerful framework for generative modeling, achieving remarkable success in applications such as image and audio synthesis. Enlightened by this progress, we propose a novel diffusion-based approach for symbolic…

Machine Learning · Computer Science 2025-06-02 Zachary Bastiani , Robert M. Kirby , Jacob Hochhalter , Shandian Zhe

Score-based diffusion models are a highly effective method for generating samples from a distribution of images. We consider scenarios where the training data comes from a noisy version of the target distribution, and present an efficiently…

Machine Learning · Statistics 2025-09-30 Dennis Elbrächter , Giovanni S. Alberti , Matteo Santacesaria

Diffusion-based image generators can now produce high-quality and diverse samples, but their success has yet to fully translate to 3D generation: existing diffusion methods can either generate low-resolution but 3D consistent outputs, or…

Computer Vision and Pattern Recognition · Computer Science 2023-08-29 Animesh Karnewar , Niloy J. Mitra , Andrea Vedaldi , David Novotny

Score-based diffusion models are a class of generative models whose dynamics is described by stochastic differential equations that map noise into data. While recent works have started to lay down a theoretical foundation for these models,…

Diffusion model-based approaches have shown promise in data-driven planning, but there are no safety guarantees, thus making it hard to be applied for safety-critical applications. To address these challenges, we propose a new method,…

Machine Learning · Computer Science 2023-06-02 Wei Xiao , Tsun-Hsuan Wang , Chuang Gan , Daniela Rus

This paper introduces a novel approach to leverage the generalizability of Diffusion Models for Source-Free Domain Adaptation (DM-SFDA). Our proposed DMSFDA method involves fine-tuning a pre-trained text-to-image diffusion model to generate…

Computer Vision and Pattern Recognition · Computer Science 2024-06-28 Shivang Chopra , Suraj Kothawade , Houda Aynaou , Aman Chadha

Score-based diffusion models have demonstrated remarkable empirical success in learning high-dimensional distributions, particularly those exhibiting low-dimensional and multi-modal structures. However, theoretical understanding of their…

Machine Learning · Statistics 2026-05-29 Jingda Wu , Changxiao Cai

Diffusion models have emerged as a powerful framework for generative tasks in deep learning. They decompose generative modeling into two computational primitives: deterministic neural-network evaluation and stochastic sampling. Current…

Machine Learning · Computer Science 2026-03-31 Nihal Sanjay Singh , Mazdak Mohseni-Rajaee , Shaila Niazi , Kerem Y. Camsari