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3D scene generation is a core technology for gaming, film/VFX, and VR/AR. Growing demand for rapid iteration, high-fidelity detail, and accessible content creation has further increased interest in this area. Existing methods broadly follow…

Computer Vision and Pattern Recognition · Computer Science 2026-01-29 Haozhi Zhu , Miaomiao Zhao , Dingyao Liu , Runze Tian , Yan Zhang , Jie Guo , Fenggen Yu

Generating physically realistic 3D molecular structures remains a core challenge in molecular generative modeling. While diffusion models equipped with equivariant neural networks have made progress in capturing molecular geometries, they…

Machine Learning · Computer Science 2025-08-25 Zhijian Zhou , Junyi An , Zongkai Liu , Yunfei Shi , Xuan Zhang , Fenglei Cao , Chao Qu , Yuan Qi

Equivariant diffusion models have achieved impressive performance in 3D molecule generation. These models incorporate Euclidean symmetries of 3D molecules by utilizing an SE(3)-equivariant denoising network. However, specialized equivariant…

Machine Learning · Computer Science 2025-07-01 Yuhui Ding , Thomas Hofmann

Denoising diffusion models (DDMs) have recently attracted increasing attention by showing impressive synthesis quality. DDMs are built on a diffusion process that pushes data to the noise distribution and the models learn to denoise. In…

Machine Learning · Computer Science 2023-05-16 Jaemoo Choi , Yesom Park , Myungjoo Kang

Denoising Diffusion Probabilistic Models (DDPMs) have garnered popularity for data generation across various domains. However, a significant bottleneck is the necessity for whole-network computation during every step of the generative…

Computer Vision and Pattern Recognition · Computer Science 2024-05-27 Shuai Yang , Yukang Chen , Luozhou Wang , Shu Liu , Yingcong Chen

Hypergraph data, which capture multi-way interactions among entities, are increasingly prevalent in the big data era. Generating new hyperlinks from an observed, usually high-dimensional hypergraph is an important yet challenging task with…

Methodology · Statistics 2026-05-14 Shihao Wu , Junyi Yang , Gongjun Xu , Ji Zhu

Generating molecular graphs is a challenging task due to their discrete nature and the competitive objectives involved. Diffusion models have emerged as SOTA approaches in data generation across various modalities. For molecular graphs,…

Machine Learning · Computer Science 2025-01-08 Prashanth Pombala , Gerrit Grossmann , Verena Wolf

In this work, we address the challenge of multi-task image generation with limited data for denoising diffusion probabilistic models (DDPM), a class of generative models that produce high-quality images by reversing a noisy diffusion…

Machine Learning · Computer Science 2023-11-29 Delaram Pirhayatifard , Mohammad Taha Toghani , Guha Balakrishnan , César A. Uribe

Diffusion models have attracted significant attention due to the remarkable ability to create content and generate data for tasks like image classification. However, the usage of diffusion models to generate the high-quality object…

Computer Vision and Pattern Recognition · Computer Science 2024-02-20 Kai Chen , Enze Xie , Zhe Chen , Yibo Wang , Lanqing Hong , Zhenguo Li , Dit-Yan Yeung

Diffusion-based voxel prior modelling is challenging for the reconstruction of large-scale 3D porous microstructures. Due to the demanding requirements for simultaneously modelling both the continuous pore morphology and the discrete…

Computer Vision and Pattern Recognition · Computer Science 2026-05-06 Yue Shi , Peng Wang , Mingzhe Yu , Yunlong Zhao , Li Liu , Gareth D Hatton , Yan Lyu , Liangxiu Han

Beyond high-fidelity image synthesis, diffusion models have recently exhibited promising results in dense visual perception tasks. However, most existing work treats diffusion models as a standalone component for perception tasks, employing…

Computer Vision and Pattern Recognition · Computer Science 2025-12-18 Shuhong Zheng , Zhipeng Bao , Ruoyu Zhao , Martial Hebert , Yu-Xiong Wang

De novo molecular generation from tandem mass spectra is a challenging inverse problem whose core difficulty lies in the circular dependency between atom-level and bond-level reasoning: determining a bond's type requires knowing its…

Machine Learning · Computer Science 2026-05-11 Xujun Che , Xiuxia Du , Depeng Xu

Deep generative models that produce novel molecular structures have the potential to facilitate chemical discovery. Diffusion models currently achieve state of the art performance for 3D molecule generation. In this work, we explore the use…

Biomolecules · Quantitative Biology 2024-05-01 Ian Dunn , David Ryan Koes

Denoising diffusion probabilistic models (DDPMs) have emerged as competitive generative models yet brought challenges to efficient sampling. In this paper, we propose novel bilateral denoising diffusion models (BDDMs), which take…

Machine Learning · Computer Science 2021-09-15 Max W. Y. Lam , Jun Wang , Rongjie Huang , Dan Su , Dong Yu

The paradigm shift toward structure-driven molecule generation has been propelled by advances in deep generative models, such as variational auto-encoders and diffusion models. However, these generative models for molecular design remain…

Machine Learning · Computer Science 2026-04-17 Peidong Liu , Wenbo Zhang , Wei Ju , Jiancheng Lv , Xianggen Liu

Diffusion-based generative models have reformed generative AI, and also enabled new capabilities in the science domain, e.g., fast generation of 3D structures of molecules. In such tasks, there is often a symmetry in the system, identifying…

Machine Learning · Computer Science 2026-05-15 Yixian Xu , Yusong Wang , Shengjie Luo , Kaiyuan Gao , Tianyu He , Di He , Chang Liu

Multi-view image generation holds significant application value in computer vision, particularly in domains like 3D reconstruction, virtual reality, and augmented reality. Most existing methods, which rely on extending single images, face…

Computer Vision and Pattern Recognition · Computer Science 2025-11-20 Jiaqi Wu , Yaosen Chen , Shuyuan Zhu

Diffusion models have garnered considerable interest in computer vision, owing both to their capacity to synthesize photorealistic images and to their proven effectiveness in image reconstruction tasks. However, existing approaches fail to…

Computer Vision and Pattern Recognition · Computer Science 2025-03-20 Jonas Dornbusch , Emanuel Pfarr , Florin-Alexandru Vasluianu , Frank Werner , Radu Timofte

Diffusion models are distinguished by their exceptional generative performance, particularly in producing high-quality samples through iterative denoising. While current theory suggests that the number of denoising steps required for…

Machine Learning · Computer Science 2025-04-08 Gen Li , Changxiao Cai , Yuting Wei

Talking head generation is a significant research topic that still faces numerous challenges. Previous works often adopt generative adversarial networks or regression models, which are plagued by generation quality and average facial shape…

Computer Vision and Pattern Recognition · Computer Science 2024-08-20 Ziyu Yao , Xuxin Cheng , Zhiqi Huang