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In this report, we introduce UltraShape 1.0, a scalable 3D diffusion framework for high-fidelity 3D geometry generation. The proposed approach adopts a two-stage generation pipeline: a coarse global structure is first synthesized and then…

Computer Vision and Pattern Recognition · Computer Science 2025-12-29 Tanghui Jia , Dongyu Yan , Dehao Hao , Yang Li , Kaiyi Zhang , Xianyi He , Lanjiong Li , Yuhan Wang , Jinnan Chen , Lutao Jiang , Qishen Yin , Long Quan , Ying-Cong Chen , Li Yuan

Phase retrieval aims to recover a signal from intensity-only measurements, a fundamental problem in many fields such as imaging, holography, optical computing, crystallography, and microscopy. Although there are several well-known phase…

Image and Video Processing · Electrical Eng. & Systems 2026-01-21 Mehmet Onurcan Kaya , Figen S. Oktem

Recent work showed that large diffusion models can be reused as highly precise monocular depth estimators by casting depth estimation as an image-conditional image generation task. While the proposed model achieved state-of-the-art results,…

Computer Vision and Pattern Recognition · Computer Science 2026-01-23 Gonzalo Martin Garcia , Karim Knaebel , Christian Schmidt , Daan de Geus , Alexander Hermans , Bastian Leibe

Accurate molecular geometries are a prerequisite for reliable quantum-chemical predictions, yet density functional theory (DFT) optimization remains a major bottleneck for high-throughput molecular screening. Here we present GeoOpt-Net, a…

Chemical Physics · Physics 2026-02-02 Chengchun Liu , Wendi Cai , Boxuan Zhao , Fanyang Mo

Diffusion models have achieved remarkable progress in the field of image generation due to their outstanding capabilities. However, these models require substantial computing resources because of the multi-step denoising process during…

Computer Vision and Pattern Recognition · Computer Science 2024-10-23 Haowei Zhu , Dehua Tang , Ji Liu , Mingjie Lu , Jintu Zheng , Jinzhang Peng , Dong Li , Yu Wang , Fan Jiang , Lu Tian , Spandan Tiwari , Ashish Sirasao , Jun-Hai Yong , Bin Wang , Emad Barsoum

Cryo-Electron Tomography (cryo-ET) is a 3D imaging technology that enables the visualization of subcellular structures in situ at near-atomic resolution. Cellular cryo-ET images help in resolving the structures of macromolecules and…

Quantitative Methods · Quantitative Biology 2021-11-18 Hmrishav Bandyopadhyay , Zihao Deng , Leiting Ding , Sinuo Liu , Mostofa Rafid Uddin , Xiangrui Zeng , Sima Behpour , Min Xu

Cryo-electron microscopy (cryo-EM), the subject of the 2017 Nobel Prize in Chemistry, is a technology for determining the 3-D structure of macromolecules from many noisy 2-D projections of instances of these macromolecules, whose…

Computer Vision and Pattern Recognition · Computer Science 2020-04-22 Roy R. Lederman , Joakim Andén , Amit Singer

In recent years, Denoising Diffusion Models have demonstrated remarkable success in generating semantically valuable pixel-wise representations for image generative modeling. In this study, we propose a novel end-to-end framework, called…

Image and Video Processing · Electrical Eng. & Systems 2023-03-21 Zhaohu Xing , Liang Wan , Huazhu Fu , Guang Yang , Lei Zhu

Lensless imaging stands out as a promising alternative to conventional lens-based systems, particularly in scenarios demanding ultracompact form factors and cost-effective architectures. However, such systems are fundamentally governed by…

Image and Video Processing · Electrical Eng. & Systems 2025-05-06 Jiesong Bai , Yuhao Yin , Yihang Dong , Xiaofeng Zhang , Chi-Man Pun , Xuhang Chen

Cryo-electron microscopy (cryo-EM) is a powerful imaging technique for reconstructing three-dimensional molecular structures from noisy tomographic projection images of randomly oriented particles. We introduce a new data fusion framework,…

Computer Vision and Pattern Recognition · Computer Science 2025-12-15 Joe Kileel , Oscar Mickelin , Amit Singer , Sheng Xu

While diffusion models can learn complex distributions, sampling requires a computationally expensive iterative process. Existing distillation methods enable efficient sampling, but have notable limitations, such as performance degradation…

Machine Learning · Computer Science 2024-12-09 Sirui Xie , Zhisheng Xiao , Diederik P Kingma , Tingbo Hou , Ying Nian Wu , Kevin Patrick Murphy , Tim Salimans , Ben Poole , Ruiqi Gao

Serial crystallography is the field of science that studies the structure and properties of crystals via diffraction patterns. In this paper, we introduce a new serial crystallography dataset comprised of real and synthetic images; the…

Single-particle cryo-electron microscopy (cryo-EM) is an emerging imaging modality capable of visualizing proteins and macro-molecular complexes at near-atomic resolution. The low electron-doses used to prevent sample radiation damage,…

Image and Video Processing · Electrical Eng. & Systems 2020-11-24 Qinwen Huang , Ye Zhou , Xiaochen Du , Reed Chen , Jianyou Wang , Cynthia Rudin , Alberto Bartesaghi

Efficiently identifying accurate correspondences between point clouds is crucial for both rigid and non-rigid point cloud registration. Existing methods usually rely on geometric or semantic feature embeddings to establish correspondences…

Computer Vision and Pattern Recognition · Computer Science 2026-04-10 Haihua Shi , Qianliang Wu

Single-particle cryo-electron microscopy (cryo-EM) has become one of the mainstream structural biology techniques because of its ability to determine high-resolution structures of dynamic bio-molecules. However, cryo-EM data acquisition…

Machine Learning · Computer Science 2022-04-18 Quanfu Fan , Yilai Li , Yuguang Yao , John Cohn , Sijia Liu , Seychelle M. Vos , Michael A. Cianfrocco

Recently, very deep convolutional neural networks (CNNs) have shown outstanding performance in object recognition and have also been the first choice for dense classification problems such as semantic segmentation. However, repeated…

Computer Vision and Pattern Recognition · Computer Science 2016-11-28 Guosheng Lin , Anton Milan , Chunhua Shen , Ian Reid

Diffusion models have proven to be highly effective in generating high-quality images. However, adapting large pre-trained diffusion models to new domains remains an open challenge, which is critical for real-world applications. This paper…

Computer Vision and Pattern Recognition · Computer Science 2023-07-28 Enze Xie , Lewei Yao , Han Shi , Zhili Liu , Daquan Zhou , Zhaoqiang Liu , Jiawei Li , Zhenguo Li

Diffusion models have shown remarkable performance in generation problems over various domains including images, videos, text, and audio. A practical bottleneck of diffusion models is their sampling speed, due to the repeated evaluation of…

Computer Vision and Pattern Recognition · Computer Science 2024-08-13 Taehong Moon , Moonseok Choi , EungGu Yun , Jongmin Yoon , Gayoung Lee , Jaewoong Cho , Juho Lee

Cryogenic electron microscopy (Cryo-EM) has become an essential tool for capturing high-resolution biological structures. Despite its advantage in visualizations, the large storage size of Cryo-EM data file poses significant challenges for…

Machine Learning · Computer Science 2025-12-16 Chunyu Zou

Knowledge of a protein's atomic conformational ensemble is critical to determining its function, yet state-of-the-art ensemble prediction models are limited by lack of high-quality conformational data from simulation or experiment. Recent…

Machine Learning · Computer Science 2026-05-12 Jay Shenoy , Miro Astore , Axel Levy , Frédéric Poitevin , Sonya M. Hanson , Gordon Wetzstein