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Recent advances in diffusion models have shown remarkable potential in the conditional generation of novel molecules. These models can be guided in two ways: (i) explicitly, through additional features representing the condition, or (ii)…

机器学习 · 计算机科学 2025-03-12 Yuchen Shen , Chenhao Zhang , Sijie Fu , Chenghui Zhou , Newell Washburn , Barnabás Póczos

Recent progress in image generation has sparked research into controlling these models through condition signals, with various methods addressing specific challenges in conditional generation. Instead of proposing another specialized…

计算机视觉与模式识别 · 计算机科学 2025-04-08 Xirui Li , Charles Herrmann , Kelvin C. K. Chan , Yinxiao Li , Deqing Sun , Chao Ma , Ming-Hsuan Yang

We show that diffusion models can achieve image sample quality superior to the current state-of-the-art generative models. We achieve this on unconditional image synthesis by finding a better architecture through a series of ablations. For…

机器学习 · 计算机科学 2021-06-02 Prafulla Dhariwal , Alex Nichol

Deep generative models with latent variables have been used lately to learn joint representations and generative processes from multi-modal data. These two learning mechanisms can, however, conflict with each other and representations can…

机器学习 · 计算机科学 2023-01-24 Rogelio A. Mancisidor , Michael Kampffmeyer , Kjersti Aas , Robert Jenssen

Generative models can be categorized into two types: explicit generative models that define explicit density forms and allow exact likelihood inference, such as score-based diffusion models (SDMs) and normalizing flows; implicit generative…

机器学习 · 统计学 2023-07-06 Jingwei Zhang , Han Shi , Jincheng Yu , Enze Xie , Zhenguo Li

Although deep learning has achieved appealing results on several machine learning tasks, most of the models are deterministic at inference, limiting their application to single-modal settings. We propose a novel general-purpose framework…

机器学习 · 计算机科学 2020-10-12 Sameera Ramasinghe , Kanchana Ranasinghe , Salman Khan , Nick Barnes , Stephen Gould

Despite the tremendous success of diffusion generative models in text-to-image generation, replicating this success in the domain of image compression has proven difficult. In this paper, we demonstrate that diffusion can significantly…

图像与视频处理 · 电气工程与系统科学 2024-03-11 Emiel Hoogeboom , Eirikur Agustsson , Fabian Mentzer , Luca Versari , George Toderici , Lucas Theis

Conditional diffusion models have shown remarkable performance in various generative tasks, but training them requires large-scale datasets that often contain noise in conditional inputs, a.k.a. noisy labels. This noise leads to condition…

机器学习 · 计算机科学 2024-02-28 Byeonghu Na , Yeongmin Kim , HeeSun Bae , Jung Hyun Lee , Se Jung Kwon , Wanmo Kang , Il-Chul Moon

Diffusion models have gained prominence as state-of-the-art techniques for synthesizing images and videos, particularly due to their ability to scale effectively with large datasets. Recent studies have uncovered that these extensive…

计算机视觉与模式识别 · 计算机科学 2025-08-28 Dat Nguyen Cong , Hieu Tran Bao , Hoang Thanh-Tung

Score-based generative models (SGMs) have recently emerged as a promising class of generative models. However, a fundamental limitation is that their inference is very slow due to a need for many (e.g., 2000) iterations of sequential…

计算机视觉与模式识别 · 计算机科学 2022-12-06 Hengyuan Ma , Li Zhang , Xiatian Zhu , Jianfeng Feng

Conditional diffusion models serve as the foundation of modern image synthesis and find extensive application in fields like computational biology and reinforcement learning. In these applications, conditional diffusion models incorporate…

机器学习 · 计算机科学 2024-03-19 Hengyu Fu , Zhuoran Yang , Mengdi Wang , Minshuo Chen

Fine-grained clustering is a practical yet challenging task, whose essence lies in capturing the subtle differences between instances of different classes. Such subtle differences can be easily disrupted by data augmentation or be…

计算机视觉与模式识别 · 计算机科学 2024-12-30 Ruohong Yang , Peng Hu , Xi Peng , Xiting Liu , Yunfan Li

Generative models have the potential to accelerate key steps in the discovery of novel molecular therapeutics and materials. Diffusion models have recently emerged as a powerful approach, excelling at unconditional sample generation and,…

生物大分子 · 定量生物学 2024-07-17 Leo Klarner , Tim G. J. Rudner , Garrett M. Morris , Charlotte M. Deane , Yee Whye Teh

Graph data structures are fundamental for studying connected entities. With an increase in the number of applications where data is represented as graphs, the problem of graph generation has recently become a hot topic. However, despite its…

How can we learn generative models to sample data with arbitrary logical compositions of statistically independent attributes? The prevailing solution is to sample from distributions expressed as a composition of attributes' conditional…

机器学习 · 计算机科学 2025-03-04 Sachit Gaudi , Gautam Sreekumar , Vishnu Boddeti

Deep generative models trained with large amounts of unlabelled data have proven to be powerful within the domain of unsupervised learning. Many real life data sets contain a small amount of labelled data points, that are typically…

机器学习 · 统计学 2017-04-04 Lars Maaløe , Marco Fraccaro , Ole Winther

We explore a data-driven approach for learning to optimize neural networks. We construct a dataset of neural network checkpoints and train a generative model on the parameters. In particular, our model is a conditional diffusion transformer…

机器学习 · 计算机科学 2022-09-27 William Peebles , Ilija Radosavovic , Tim Brooks , Alexei A. Efros , Jitendra Malik

Classifier-free guidance is a key component for enhancing the performance of conditional generative models across diverse tasks. While it has previously demonstrated remarkable improvements for the sample quality, it has only been…

机器学习 · 计算机科学 2023-12-11 Qinqing Zheng , Matt Le , Neta Shaul , Yaron Lipman , Aditya Grover , Ricky T. Q. Chen

Conditional diffusion models are powerful generative models that can leverage various types of conditional information, such as class labels, segmentation masks, or text captions. However, in many real-world scenarios, conditional…

计算机视觉与模式识别 · 计算机科学 2025-02-19 Nicolas Dufour , Victor Besnier , Vicky Kalogeiton , David Picard

The predominant success of diffusion models in generative modeling has spurred significant interest in understanding their theoretical foundations. In this work, we propose a feature learning framework aimed at analyzing and comparing the…

机器学习 · 统计学 2025-03-04 Andi Han , Wei Huang , Yuan Cao , Difan Zou