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Cryo-electron tomography (cryo-ET) enables structural characterization of biomolecules under near-native conditions. Existing approaches for interpreting the resulting three-dimensional volumes are computationally expensive and have…

Quantitative Methods · Quantitative Biology 2025-10-28 Chengxuan Li , August George , Reece Neff , Doo Nam Kim , Trevor Moser , Kate Baldwin , Malio Nelson , Arsam Firoozfar , James E Evans , Margaret S Cheung

Single-particle electron cryomicroscopy (cryo-EM) is an increasingly popular technique for elucidating the three-dimensional structure of proteins and other biologically significant complexes at near-atomic resolution. It is an imaging…

Computational Physics · Physics 2020-04-01 Amit Singer , Fred J. Sigworth

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

Motivation: Cryo-Electron Tomography (cryo-ET) is a 3D bioimaging tool that visualizes the structural and spatial organization of macromolecules at a near-native state in single cells, which has broad applications in life science. However,…

Quantitative Methods · Quantitative Biology 2021-07-28 Xuefeng Du , Haohan Wang , Zhenxi Zhu , Xiangrui Zeng , Yi-Wei Chang , Jing Zhang , Min Xu

Cryo-Electron Microscopy (Cryo-EM) is a Nobel prize-winning technology for determining the 3D structure of particles at near-atomic resolution. A fundamental step in the recovering of the 3D single-particle structure is to align its 2D…

Image and Video Processing · Electrical Eng. & Systems 2021-01-12 Koby Bibas , Gili Weiss-Dicker , Dana Cohen , Noa Cahan , Hayit Greenspan

Particle picking is currently a critical step in the cryo-electron microscopy single particle reconstruction pipeline. Contaminations in the acquired micrographs severely degrade the performance of particle pickers, resulting is many…

Computer Vision and Pattern Recognition · Computer Science 2022-01-19 Amitay Eldar , Ido Amos , Yoel Shkolnisky

Cryo-electron microscopy (cryo-EM) has become a major experimental technique to determine the structures of large protein complexes and molecular assemblies, as evidenced by the 2017 Nobel Prize. Although cryo-EM has been drastically…

Biomolecules · Quantitative Biology 2021-06-01 Dong Si , Andrew Nakamura , Runbang Tang , Haowen Guan , Jie Hou , Ammaar Firozi , Renzhi Cao , Kyle Hippe , Minglei Zhao

Over the past decade, cryogenic electron microscopy (cryo-EM) has emerged as a primary method for determining near-native, near-atomic resolution 3D structures of biological macromolecules. In order to meet increasing demand for cryo-EM,…

Image and Video Processing · Electrical Eng. & Systems 2022-01-19 Paul T. Kim , Alex J. Noble , Anchi Cheng , Tristan Bepler

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

Cryogenic electron microscopy (cryo-EM) provides images from different copies of the same biomolecule in arbitrary orientations. Here, we present an end-to-end unsupervised approach that learns individual particle orientations from cryo-EM…

Image and Video Processing · Electrical Eng. & Systems 2021-07-08 Youssef S. G. Nashed , Frederic Poitevin , Harshit Gupta , Geoffrey Woollard , Michael Kagan , Chuck Yoon , Daniel Ratner

Structural dynamics of macromolecules is critical to their structural-function relationship. Cryogenic electron microscopy (CryoEM) provides snapshots of vitrified protein at different compositional and conformational states, and the…

Quantitative Methods · Quantitative Biology 2026-01-27 Muyuan Chen , Muchen Li , Renjie Liao

Single-particle cryo-Electron Microscopy (EM) has become a popular technique for determining the structure of challenging biomolecules that are inaccessible to other technologies. Recent advances in automation, both in data collection and…

Computer Vision and Pattern Recognition · Computer Science 2021-05-31 Ye Zhou , Amit Moscovich , Tamir Bendory , Alberto Bartesaghi

Determining the 3D structures of biological molecules is a key problem for both biology and medicine. Electron Cryomicroscopy (Cryo-EM) is a promising technique for structure estimation which relies heavily on computational methods to…

Machine Learning · Statistics 2015-01-29 Ali Punjani , Marcus A. Brubaker

The positive-unlabeled (PU) classification is a common scenario in real-world applications such as healthcare, text classification, and bioinformatics, in which we only observe a few samples labeled as "positive" together with a large…

Machine Learning · Computer Science 2018-03-20 Ke Ren , Haichuan Yang , Yu Zhao , Mingshan Xue , Hongyu Miao , Shuai Huang , Ji Liu

Cryo-electron microscopy (cryo-EM) has recently emerged as a powerful tool for obtaining three-dimensional (3D) structures of biological macromolecules in native states. A minimum cryo-EM image data set for deriving a meaningful…

Applications · Statistics 2014-04-28 Ting-Li Chen , Dai-Ni Hsieh , Hung Hung , I-Ping Tu , Pei-Shien Wu , Yi-Ming Wu , Wei-Hau Chang , Su-Yun Huang

Positive unlabeled (PU) learning is useful in various practical situations, where there is a need to learn a classifier for a class of interest from an unlabeled data set, which may contain anomalies as well as samples from unknown classes.…

Machine Learning · Computer Science 2018-08-17 Emanuele Sansone , Francesco G. B. De Natale , Zhi-Hua Zhou

The three-dimensional structure of proteins plays a crucial role in determining their function. Protein structure prediction methods, like AlphaFold, offer rapid access to a protein structure. However, large protein complexes cannot be…

Biomolecules · Quantitative Biology 2025-03-05 Gabriel Ducrocq , Lukas Grunewald , Sebastian Westenhoff , Fredrik Lindsten

Positive-Unlabeled (PU) learning aims to learn a model with rare positive samples and abundant unlabeled samples. Compared with classical binary classification, the task of PU learning is much more challenging due to the existence of many…

Computer Vision and Pattern Recognition · Computer Science 2022-12-01 Chengming Xu , Chen Liu , Siqian Yang , Yabiao Wang , Shijie Zhang , Lijie Jia , Yanwei Fu

Cryo-electron microscopy (cryo-EM) is a technique for reconstructing the 3-dimensional (3D) structure of biomolecules (especially large protein complexes and molecular assemblies). As the resolution increases to the near-atomic scale,…

Computer Vision and Pattern Recognition · Computer Science 2023-08-08 Weijie Chen , Xinyan Wang , Yuhang Wang

Non-destructive 3D imaging of large multi-particulate samples is essential for quantifying particle-level properties, such as size, shape, and spatial distribution, across applications in mining, materials science, and geology. However,…

Image and Video Processing · Electrical Eng. & Systems 2025-08-25 Philipp D. Lösel , Aleese Barron , Yulai Zhang , Matthias Fabian , Benjamin Young , Nicolas Francois , Andrew M. Kingston