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The astonishing growth of generative tools in recent years has empowered many exciting applications in text-to-image generation and text-to-video generation. The underlying principle behind these generative tools is the concept of…

Machine Learning · Computer Science 2025-01-09 Stanley H. Chan

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

As one of the most successful generative models, diffusion models have demonstrated remarkable efficacy in synthesizing high-quality images. These models learn the underlying high-dimensional data distribution in an unsupervised manner.…

Computer Vision and Pattern Recognition · Computer Science 2024-12-12 Min Hou , Yueying Wu , Chang Xu , Yu-Hao Huang , Chenxi Bai , Le Wu , Jiang Bian

Diffusion Models represent a significant advancement in generative modeling, employing a dual-phase process that first degrades domain-specific information via Gaussian noise and restores it through a trainable model. This framework enables…

Neural and Evolutionary Computing · Computer Science 2024-11-21 Benedikt Hartl , Yanbo Zhang , Hananel Hazan , Michael Levin

As Diffusion Models have shown promising performance, a lot of efforts have been made to improve the controllability of Diffusion Models. However, how to train Diffusion Models to have the disentangled latent spaces and how to naturally…

Computer Vision and Pattern Recognition · Computer Science 2025-07-02 Wonwoong Cho , Hareesh Ravi , Midhun Harikumar , Vinh Khuc , Krishna Kumar Singh , Jingwan Lu , David I. Inouye , Ajinkya Kale

Predicting the binding structure of a small molecule ligand to a protein -- a task known as molecular docking -- is critical to drug design. Recent deep learning methods that treat docking as a regression problem have decreased runtime…

Biomolecules · Quantitative Biology 2023-02-14 Gabriele Corso , Hannes Stärk , Bowen Jing , Regina Barzilay , Tommi Jaakkola

Conditional generative models typically demand large annotated training sets to achieve high-quality synthesis. As a result, there has been significant interest in designing models that perform plug-and-play generation, i.e., to use a…

Computer Vision and Pattern Recognition · Computer Science 2023-10-03 Nithin Gopalakrishnan Nair , Anoop Cherian , Suhas Lohit , Ye Wang , Toshiaki Koike-Akino , Vishal M. Patel , Tim K. Marks

Diffusion models and flow-matching models have enabled generating diverse and realistic images by learning to transfer noise to data. However, sampling from these models involves iterative denoising over many neural network passes, making…

Machine Learning · Computer Science 2025-06-24 Kevin Frans , Danijar Hafner , Sergey Levine , Pieter Abbeel

Diffusion models are a new class of generative models, and have dramatically promoted image generation with unprecedented quality and diversity. Existing diffusion models mainly try to reconstruct input image from a corrupted one with a…

Computer Vision and Pattern Recognition · Computer Science 2024-06-05 Ling Yang , Jingwei Liu , Shenda Hong , Zhilong Zhang , Zhilin Huang , Zheming Cai , Wentao Zhang , Bin Cui

Goal-directed molecular generation requires satisfying heterogeneous constraints such as protein--ligand compatibility and multi-objective drug-like properties, yet existing methods often optimize these constraints in isolation, failing to…

Machine Learning · Computer Science 2026-04-14 Yanting Li , Zhuoyang Jiang , Enyan Dai , Lei Wang , Wen-Cai Ye , Li Liu

An inherent fragility of quadrotor systems stems from model inaccuracies and external disturbances. These factors hinder performance and compromise the stability of the system, making precise control challenging. Existing model-based…

Robotics · Computer Science 2025-06-25 Avirup Das , Rishabh Dev Yadav , Sihao Sun , Mingfei Sun , Samuel Kaski , Wei Pan

Deep generative models for graphs have exhibited promising performance in ever-increasing domains such as design of molecules (i.e, graph of atoms) and structure prediction of proteins (i.e., graph of amino acids). Existing work typically…

Machine Learning · Computer Science 2021-01-21 Wenbin Zhang , Liming Zhang , Dieter Pfoser , Liang Zhao

Diffusion models are a class of flexible generative models trained with an approximation to the log-likelihood objective. However, most use cases of diffusion models are not concerned with likelihoods, but instead with downstream objectives…

Machine Learning · Computer Science 2024-01-08 Kevin Black , Michael Janner , Yilun Du , Ilya Kostrikov , Sergey Levine

Diffusion models arise as a powerful generative tool recently. Despite the great progress, existing diffusion models mainly focus on uni-modal control, i.e., the diffusion process is driven by only one modality of condition. To further…

Computer Vision and Pattern Recognition · Computer Science 2023-04-21 Ziqi Huang , Kelvin C. K. Chan , Yuming Jiang , Ziwei Liu

Diffusion models, as a novel generative paradigm, have achieved remarkable success in various image generation tasks such as image inpainting, image-to-text translation, and video generation. Graph generation is a crucial computational task…

Machine Learning · Computer Science 2023-08-29 Chengyi Liu , Wenqi Fan , Yunqing Liu , Jiatong Li , Hang Li , Hui Liu , Jiliang Tang , Qing Li

Generative models have attracted significant interest due to their ability to handle uncertainty by learning the inherent data distributions. However, two prominent generative models, namely Generative Adversarial Networks (GANs) and…

Machine Learning · Computer Science 2023-04-25 Yu Wang , Zhiwei Liu , Liangwei Yang , Philip S. Yu

Diffusion models have recently gained significant attention in robotics due to their ability to generate multi-modal distributions of system states and behaviors. However, a key challenge remains: ensuring precise control over the generated…

Robotics · Computer Science 2025-10-01 Luobin Wang , Hongzhan Yu , Chenning Yu , Sicun Gao , Henrik Christensen

Computationally generating novel synthetically accessible compounds with high affinity and low toxicity is a great challenge in drug design. Machine-learning models beyond conventional pharmacophoric methods have shown promise in generating…

Biomolecules · Quantitative Biology 2023-10-30 Nicholas T. Runcie , Antonia S. J. S. Mey

Graph generative models are essential across diverse scientific domains by capturing complex distributions over relational data. Among them, graph diffusion models achieve superior performance but face inefficient sampling and limited…

Machine Learning · Computer Science 2025-06-17 Yiming Qin , Manuel Madeira , Dorina Thanou , Pascal Frossard

Layout generation aims to synthesize realistic graphic scenes consisting of elements with different attributes including category, size, position, and between-element relation. It is a crucial task for reducing the burden on heavy-duty…

Computer Vision and Pattern Recognition · Computer Science 2023-03-10 Mude Hui , Zhizheng Zhang , Xiaoyi Zhang , Wenxuan Xie , Yuwang Wang , Yan Lu
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