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Score-based generative models, which transform noise into data by learning to reverse a diffusion process, have become a cornerstone of modern generative AI. This paper contributes to establishing theoretical guarantees for the probability…

Machine Learning · Statistics 2025-02-03 Jiaqi Tang , Yuling Yan

Diffusion models, which convert noise into new data instances by learning to reverse a Markov diffusion process, have become a cornerstone in contemporary generative modeling. While their practical power has now been widely recognized, the…

Machine Learning · Statistics 2024-03-08 Gen Li , Yuting Wei , Yuxin Chen , Yuejie Chi

Diffusion models have demonstrated empirical successes in various applications and can be adapted to task-specific needs via guidance. This paper studies a form of gradient guidance for adapting a pre-trained diffusion model towards…

Machine Learning · Statistics 2024-10-17 Yingqing Guo , Hui Yuan , Yukang Yang , Minshuo Chen , Mengdi Wang

We present a supervised learning framework of training generative models for density estimation. Generative models, including generative adversarial networks, normalizing flows, variational auto-encoders, are usually considered as…

Machine Learning · Computer Science 2023-10-24 Yanfang Liu , Minglei Yang , Zezhong Zhang , Feng Bao , Yanzhao Cao , Guannan Zhang

Continuous diffusion models have demonstrated remarkable performance in data generation across various domains, yet their efficiency remains constrained by two critical limitations: (1) the local adjacency structure of the forward Markov…

Machine Learning · Statistics 2025-05-29 Xunpeng Huang , Yingyu Lin , Nikki Lijing Kuang , Hanze Dong , Difan Zou , Yian Ma , Tong Zhang

Traditionally, systems governed by linear Partial Differential Equations (PDEs) are spatially discretized to exploit their algebraic structure and reduce the computational effort for controlling them. Due to beneficial insights of the PDEs,…

Systems and Control · Computer Science 2016-04-05 Saber Jafarizadeh

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

Score-based diffusion models, which generate new data by learning to reverse a diffusion process that perturbs data from the target distribution into noise, have achieved remarkable success across various generative tasks. Despite their…

Machine Learning · Computer Science 2025-01-23 Gen Li , Yuling Yan

Diffusion models are state-of-the-art generative models, yet their samples often fail to satisfy application objectives such as safety constraints or domain-specific validity. Existing techniques for alignment require gradients, internal…

Modern generative AI models, such as diffusion and flow matching models, can sample from rich data distributions. However, many applications, especially in science and engineering, require more than drawing samples from the model…

The probabilistic diffusion model has become highly effective across various domains. Typically, sampling from a diffusion model involves using a denoising distribution characterized by a Gaussian with a learned mean and either fixed or…

Machine Learning · Computer Science 2025-02-20 Zijing Ou , Mingtian Zhang , Andi Zhang , Tim Z. Xiao , Yingzhen Li , David Barber

We study the problem of training diffusion and flow generative models to sample from target distributions defined by an exponential tilting of a base density; a formulation that subsumes both sampling from unnormalized densities and reward…

Machine Learning · Statistics 2026-05-04 Carles Domingo-Enrich , Yuanqi Du , Michael S. Albergo

Offline black-box optimization aims to discover novel designs with high property scores using only a static dataset, a task fundamentally challenged by the out-of-distribution (OOD) extrapolation problem. Existing approaches typically…

Machine Learning · Computer Science 2026-05-22 Yonghan Yang , Ye Yuan , Zipeng Sun , Linfeng Du , Bowei He , Haolun Wu , Can Chen , Xue Liu

Various bias-correction methods such as EXTRA, gradient tracking methods, and exact diffusion have been proposed recently to solve distributed {\em deterministic} optimization problems. These methods employ constant step-sizes and converge…

Machine Learning · Computer Science 2023-07-19 Kun Yuan , Sulaiman A. Alghunaim , Bicheng Ying , Ali H. Sayed

Diffusion models excel in generative tasks, but aligning them with specific objectives while maintaining their versatility remains challenging. Existing fine-tuning methods often suffer from reward over-optimization, while approximate…

Machine Learning · Computer Science 2025-04-18 Sunwoo Kim , Minkyu Kim , Dongmin Park

We present Diffusion-KTO, a novel approach for aligning text-to-image diffusion models by formulating the alignment objective as the maximization of expected human utility. Since this objective applies to each generation independently,…

Computer Vision and Pattern Recognition · Computer Science 2024-10-15 Shufan Li , Konstantinos Kallidromitis , Akash Gokul , Yusuke Kato , Kazuki Kozuka

Rich data and powerful machine learning models allow us to design drugs for a specific protein target \textit{in silico}. Recently, the inclusion of 3D structures during targeted drug design shows superior performance to other target-free…

Biomolecules · Quantitative Biology 2023-03-08 Jiaqi Guan , Wesley Wei Qian , Xingang Peng , Yufeng Su , Jian Peng , Jianzhu Ma

Score-based generative modeling, informally referred to as diffusion models, continue to grow in popularity across several important domains and tasks. While they provide high-quality and diverse samples from empirical distributions,…

Machine Learning · Statistics 2023-12-29 Jacopo Teneggi , Matthew Tivnan , J. Webster Stayman , Jeremias Sulam

In this paper, we explore provable acceleration of diffusion models without any additional retraining. Focusing on the task of approximating a target data distribution in $\mathbb{R}^d$ to within $\varepsilon$ total-variation distance, we…

Machine Learning · Computer Science 2025-08-14 Gen Li , Yuchen Zhou , Yuting Wei , Yuxin Chen

The emergence of diffusion models has significantly advanced generative AI, improving the quality, realism, and creativity of image and video generation. Among them, Stable Diffusion (StableDiff) stands out as a key model for text-to-image…

Hardware Architecture · Computer Science 2025-07-03 Zhican Wang , Guanghui He , Hongxiang Fan