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Learning the underlying distribution of molecular graphs and generating high-fidelity samples is a fundamental research problem in drug discovery and material science. However, accurately modeling distribution and rapidly generating novel…

Machine Learning · Computer Science 2023-05-24 Han Huang , Leilei Sun , Bowen Du , Weifeng Lv

Diffusion models have demonstrated remarkable progress in image generation quality, especially when guidance is used to control the generative process. However, guidance requires a large amount of image-annotation pairs for training and is…

Computer Vision and Pattern Recognition · Computer Science 2023-11-28 Vincent Tao Hu , David W Zhang , Yuki M. Asano , Gertjan J. Burghouts , Cees G. M. Snoek

Guidance provides a simple and effective framework for posterior sampling by steering the generation process towards the desired distribution. When modeling discrete data, existing approaches mostly focus on guidance with the first-order…

Machine Learning · Computer Science 2026-04-16 Zhengyan Wan , Yidong Ouyang , Liyan Xie , Fang Fang , Hongyuan Zha , Guang Cheng

Large-scale generative models, such as text-to-image diffusion models, have garnered widespread attention across diverse domains due to their creative and high-fidelity image generation. Nonetheless, existing large-scale diffusion models…

Computer Vision and Pattern Recognition · Computer Science 2024-08-28 Younghyun Kim , Geunmin Hwang , Junyu Zhang , Eunbyung Park

Recent advancements in diffusion models have revolutionized generative modeling. However, the impressive and vivid outputs they produce often come at the cost of significant model scaling and increased computational demands. Consequently,…

Machine Learning · Computer Science 2025-04-03 Jincheng Zhong , Xiangcheng Zhang , Jianmin Wang , Mingsheng Long

Diffusion models excel at capturing the natural design spaces of images, molecules, DNA, RNA, and protein sequences. However, rather than merely generating designs that are natural, we often aim to optimize downstream reward functions while…

Guidance in conditional diffusion generation is of great importance for sample quality and controllability. However, existing guidance schemes are to be desired. On one hand, mainstream methods such as classifier guidance and…

Machine Learning · Computer Science 2023-10-18 Jiajun Ma , Tianyang Hu , Wenjia Wang , Jiacheng Sun

Classifier-free guidance has become a staple for conditional generation with denoising diffusion models. However, a comprehensive understanding of classifier-free guidance is still missing. In this work, we carry out an empirical study to…

Computer Vision and Pattern Recognition · Computer Science 2025-11-25 Xiaoming Zhao , Alexander G. Schwing

Generation of graphs is a major challenge for real-world tasks that require understanding the complex nature of their non-Euclidean structures. Although diffusion models have achieved notable success in graph generation recently, they are…

Machine Learning · Computer Science 2024-06-04 Jaehyeong Jo , Dongki Kim , Sung Ju Hwang

Autoregressive models excel in efficiency and plug directly into the transformer ecosystem, delivering robust generalization, predictable scalability, and seamless workflows such as fine-tuning and parallelized training. However, they…

Machine Learning · Computer Science 2025-06-13 Samuel Belkadi , Steve Hong , Marian Chen , Miruna Cretu , Charles Harris , Pietro Lio

Creating large-scale datasets for training high-performance generative models is often prohibitively expensive, especially when associated attributes or annotations must be provided. As a result, merging existing datasets has become a…

Machine Learning · Statistics 2026-03-31 Yanfeng Yang , Kenji Fukumizu

Diffusion models have emerged as a promising alternative to autoregressive models in modeling discrete categorical data. However, diffusion models that directly work on discrete data space fail to fully exploit the power of iterative…

Machine Learning · Computer Science 2025-10-24 Jaehyeong Jo , Sung Ju Hwang

Training-free guidance enables controlled generation in diffusion and flow models, but most methods rely on gradients and assume differentiable objectives. This work focuses on training-free guidance addressing challenges from…

Machine Learning · Computer Science 2025-06-12 Yingqing Guo , Yukang Yang , Hui Yuan , Mengdi Wang

Diffusion models are the mainstream approach for time series generation tasks. However, existing diffusion models for time series generation require retraining the entire framework to introduce specific conditional guidance. There also…

Machine Learning · Computer Science 2025-09-25 Mingchun Sun , Rongqiang Zhao , Hengrui Hu , Songyu Ding , Jie Liu

In recent times, large datasets hinder efficient model training while also containing redundant concepts. Dataset distillation aims to synthesize compact datasets that preserve the knowledge of large-scale training sets while drastically…

Computer Vision and Pattern Recognition · Computer Science 2026-02-27 Ayush Roy , Wei-Yang Alex Lee , Rudrasis Chakraborty , Vishnu Suresh Lokhande

Can a text-to-image diffusion model be used as a training objective for adapting a GAN generator to another domain? In this paper, we show that the classifier-free guidance can be leveraged as a critic and enable generators to distill…

Computer Vision and Pattern Recognition · Computer Science 2022-12-12 Kunpeng Song , Ligong Han , Bingchen Liu , Dimitris Metaxas , Ahmed Elgammal

Guidance serves as a key concept in diffusion models, yet its effectiveness is often limited by the need for extra data annotation or classifier pretraining. That is why guidance was harnessed from self-supervised learning backbones, like…

Computer Vision and Pattern Recognition · Computer Science 2023-12-15 Vincent Tao Hu , Yunlu Chen , Mathilde Caron , Yuki M. Asano , Cees G. M. Snoek , Bjorn Ommer

Classifier guidance is a recently introduced method to trade off mode coverage and sample fidelity in conditional diffusion models post training, in the same spirit as low temperature sampling or truncation in other types of generative…

Machine Learning · Computer Science 2022-07-27 Jonathan Ho , Tim Salimans

Guided diffusion-model generation is a promising direction for customizing the generation process of a pre-trained diffusion model to address specific downstream tasks. Existing guided diffusion models either rely on training the guidance…

Machine Learning · Computer Science 2025-04-01 Kim Yong Tan , Yueming Lyu , Ivor Tsang , Yew-Soon Ong

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