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Generative models, especially diffusion models (DMs), have achieved promising results for generating feature-rich geometries and advancing foundational science problems such as molecule design. Inspired by the recent huge success of Stable…

Machine Learning · Computer Science 2023-05-03 Minkai Xu , Alexander Powers , Ron Dror , Stefano Ermon , Jure Leskovec

We introduce a diffusion-based generative model to describe the distribution of galaxies in our Universe directly as a collection of points in 3-D space (coordinates) optionally with associated attributes (e.g., velocities and masses),…

Cosmology and Nongalactic Astrophysics · Physics 2024-12-24 Carolina Cuesta-Lazaro , Siddharth Mishra-Sharma

Diffusion models are capable of impressive feats of image generation with uncommon juxtapositions such as astronauts riding horses on the moon with properly placed shadows. These outputs indicate the ability to perform compositional…

Machine Learning · Computer Science 2024-05-01 Qiyao Liang , Ziming Liu , Ila Fiete

Diffusion-based generative models employ stochastic differential equations (SDEs) and their equivalent probability flow ordinary differential equations (ODEs) to establish a smooth transformation between complex high-dimensional data…

Machine Learning · Computer Science 2025-12-12 Defang Chen , Zhenyu Zhou , Can Wang , Siwei Lyu

Diffusion-based policies have shown remarkable capability in executing complex robotic manipulation tasks but lack explicit characterization of geometry and semantics, which often limits their ability to generalize to unseen objects and…

Robotics · Computer Science 2024-10-24 Yixuan Wang , Guang Yin , Binghao Huang , Tarik Kelestemur , Jiuguang Wang , Yunzhu Li

Molecule generation, especially generating 3D molecular geometries from scratch (i.e., 3D \textit{de novo} generation), has become a fundamental task in drug designs. Existing diffusion-based 3D molecule generation methods could suffer from…

Machine Learning · Computer Science 2022-09-14 Lei Huang , Hengtong Zhang , Tingyang Xu , Ka-Chun Wong

The task of deducing three-dimensional molecular configurations from their two-dimensional graph representations holds paramount importance in the fields of computational chemistry and pharmaceutical development. The rapid advancement of…

Biomolecules · Quantitative Biology 2025-01-09 Bobin Yang , Jie Deng , Zhenghan Chen , Ruoxue Wu

In medical imaging, the diffusion models have shown great potential for synthetic image generation tasks. However, these approaches often lack the interpretable connections between the generated and real images and can create anatomically…

Image and Video Processing · Electrical Eng. & Systems 2026-02-12 Jian-Qing Zheng , Yuanhan Mo , Yang Sun , Jiahua Li , Fuping Wu , Ziyang Wang , Tonia Vincent , Bartłomiej W. Papież

3D object detection is an essential task for achieving autonomous driving. Existing anchor-based detection methods rely on empirical heuristics setting of anchors, which makes the algorithms lack elegance. In recent years, we have witnessed…

Computer Vision and Pattern Recognition · Computer Science 2023-09-06 Xin Zhou , Jinghua Hou , Tingting Yao , Dingkang Liang , Zhe Liu , Zhikang Zou , Xiaoqing Ye , Jianwei Cheng , Xiang Bai

Diffusion models offer stable training and state-of-the-art performance for deep generative modeling tasks. Here, we consider their use in the context of multivariate subsurface modeling and probabilistic inversion. We first demonstrate…

Computer Vision and Pattern Recognition · Computer Science 2026-01-28 Roberto Miele , Niklas Linde

Diffusion models have emerged as powerful generative tools with applications in computer vision and scientific machine learning (SciML), where they have been used to solve large-scale probabilistic inverse problems. Traditionally, these…

3D human pose estimation from 2D images is a challenging problem due to depth ambiguity and occlusion. Because of these challenges the task is underdetermined, where there exists multiple -- possibly infinite -- poses that are plausible…

Computer Vision and Pattern Recognition · Computer Science 2026-02-04 Francis Snelgar , Ming Xu , Stephen Gould , Liang Zheng , Akshay Asthana

Molecular conformation generation, a critical aspect of computational chemistry, involves producing the three-dimensional conformer geometry for a given molecule. Generating molecular conformation via diffusion requires learning to reverse…

Computational Physics · Physics 2023-10-10 Zihan Zhou , Ruiying Liu , Chaolong Ying , Ruimao Zhang , Tianshu Yu

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

Current Structure-from-Motion (SfM) methods typically follow a two-stage pipeline, combining learned or geometric pairwise reasoning with a subsequent global optimization step. In contrast, we propose a data-driven multi-view reasoning…

Computer Vision and Pattern Recognition · Computer Science 2025-05-09 Qitao Zhao , Amy Lin , Jeff Tan , Jason Y. Zhang , Deva Ramanan , Shubham Tulsiani

Riemannian diffusion models draw inspiration from standard Euclidean space diffusion models to learn distributions on general manifolds. Unfortunately, the additional geometric complexity renders the diffusion transition term inexpressible…

Machine Learning · Computer Science 2023-11-01 Aaron Lou , Minkai Xu , Stefano Ermon

In this paper, we introduce an SE(3) diffusion model-based point cloud registration framework for 6D object pose estimation in real-world scenarios. Our approach formulates the 3D registration task as a denoising diffusion process, which…

Computer Vision and Pattern Recognition · Computer Science 2023-10-27 Haobo Jiang , Mathieu Salzmann , Zheng Dang , Jin Xie , Jian Yang

In this paper, we design an algorithm to accelerate the diffusion process on the $SO(3)$ manifold. The inherently sequential nature of diffusion models necessitates substantial time for denoising perturbed data. To overcome this limitation,…

Machine Learning · Computer Science 2025-07-15 Yan-Ting Chen , Hao-Wei Chen , Tsu-Ching Hsiao , Chun-Yi Lee

Molecule generation is a very important practical problem, with uses in drug discovery and material design, and AI methods promise to provide useful solutions. However, existing methods for molecule generation focus either on 2D graph…

Machine Learning · Computer Science 2024-02-07 Chenqing Hua , Sitao Luan , Minkai Xu , Rex Ying , Jie Fu , Stefano Ermon , Doina Precup

Diffusion Probabilistic Models (DPMs) have recently shown remarkable performance in image generation tasks, which are capable of generating highly realistic images. When adopting DPMs for image restoration tasks, the crucial aspect lies in…

Computer Vision and Pattern Recognition · Computer Science 2023-06-01 Yi Zhang , Xiaoyu Shi , Dasong Li , Xiaogang Wang , Jian Wang , Hongsheng Li
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