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Three-dimensional reconstruction of atomic structure, known as atomic electron tomography (AET), has found increasing applications in materials science. The AET has been limited to very small nanoparticles due to the challenges of obtaining…

Materials Science · Physics 2024-01-24 Liangze Mao , Jizhe Cui , Rong Yu

A common task in cryo-electron microscopy (cryo-EM) data processing is to compare three-dimensional density maps of macromolecules. In this paper, we propose an algorithm for aligning three-dimensional density maps that exploits common…

Image and Video Processing · Electrical Eng. & Systems 2023-02-27 Yael Harpaz , Yoel Shkolnisky

The growing role of data-driven approaches to scientific discovery has unveiled a large class of models that involve latent transformations with a rigid algebraic constraint. Three-dimensional molecule reconstruction in Cryo-Electron…

Information Theory · Computer Science 2019-06-04 Amelia Perry , Jonathan Weed , Afonso S. Bandeira , Philippe Rigollet , Amit Singer

Electron tomography offers important three-dimensional (3D) structural information which cannot be observed by two-dimensional imaging. By combining annular dark field scanning transmission electron microscopy (ADF-STEM) with aberration…

Materials Science · Physics 2023-06-29 Juhyeok Lee , Moosung Lee , YongKeun Park , Colin Ophus , Yongsoo Yang

The understanding of protein structure, folding, and interaction with other proteins remains one of the grand challenges of modern biology. Tremendous progress has been made thanks to X-ray- or electron-based techniques that have provided…

Electron Cryo-Tomography (ECT) allows 3D visualization of subcellular structures at the submolecular resolution in close to the native state. However, due to the high degree of structural complexity and imaging limits, the automatic…

Quantitative Methods · Quantitative Biology 2019-08-08 Bo Zhou , Qiang Guo , Xiangrui Zeng , Min Xu

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

Understanding protein flexibility and its dynamic interactions with other molecules is essential for studying protein function. Although cryogenic electron microscopy(cryo-EM) provides an opportunity to observe macromolecular dynamics…

Computer Vision and Pattern Recognition · Computer Science 2026-02-03 Bintao He , Yiran Cheng , Hongjia Li , Xiang Gao , Xin Gao , Fa Zhang , Renmin Han

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

Single-particle cryo-EM has transformed structural biology but still faces challenges in resolving conformational heterogeneity at atomic resolution. Existing cryo-EM heterogeneity analysis methods either lack atomic details or tend to…

Biomolecules · Quantitative Biology 2025-10-21 Chengwei Zhang , Shimian Li , Yihao Niu , Zhen Zhu , Sihao Yuan , Sirui Liu , Yi Qin Gao

Motivated by the task of 2-D classification in single particle reconstruction by cryo-electron microscopy (cryo-EM), we consider the problem of heterogeneous multireference alignment of images. In this problem, the goal is to estimate a…

Image and Video Processing · Electrical Eng. & Systems 2019-10-03 Chao Ma , Tamir Bendory , Nicolas Boumal , Fred Sigworth , Amit Singer

Cryo-electron microscopy (cryo-EM) is a widely used technique for recovering the 3-D structure of biological molecules from a large number of experimentally generated noisy 2-D tomographic projection images of the 3-D structure, taken from…

Numerical Analysis · Mathematics 2025-11-17 Jeremy Hoskins , Yuehaw Khoo , Oscar Mickelin , Amit Singer , Yuguan Wang

One of the difficulties in 3D reconstruction of molecules from images in single particle Cryo-Electron Microscopy (Cryo-EM), in addition to high levels of noise and unknown image orientations, is heterogeneity in samples: in many cases, the…

Computer Vision and Pattern Recognition · Computer Science 2016-07-13 Roy R. Lederman , Amit Singer

The field of cryo-electron microscopy has made astounding advancements in the past few years, mainly due to advancements in electron detectors' technology. Yet, one of the key open challenges of the field remains the processing of…

Computer Vision and Pattern Recognition · Computer Science 2019-10-04 Yariv Aizenbud , Yoel Shkolnisky

Simulation-based inference provides a powerful framework for cryo-electron microscopy, employing neural networks in methods like CryoSBI to infer biomolecular conformations via learned latent representations. This latent space represents a…

Quantitative Methods · Quantitative Biology 2025-09-05 Luke Evans , Octavian-Vlad Murad , Lars Dingeldein , Pilar Cossio , Roberto Covino , Marina Meila

Due to the extremely low signal-to-noise ratio (SNR) and unknown poses (projection angles and image shifts) in cryo-electron microscopy (cryo-EM) experiments, reconstructing 3D volumes from 2D images is very challenging. In addition to…

Image and Video Processing · Electrical Eng. & Systems 2024-04-24 Weijie Chen , Yuhang Wang , Lin Yao

Cryo-electron microscopy (EM) single particle reconstruction is an entirely general technique for 3D structure determination of macromolecular complexes. However, because the images are taken at low electron dose, it is extremely hard to…

Computer Vision and Pattern Recognition · Computer Science 2019-04-17 Yifeng Fan , Zhizhen Zhao

We introduce DiffFit, a differentiable algorithm for fitting protein atomistic structures into an experimental reconstructed Cryo-Electron Microscopy (cryo-EM) volume map. In structural biology, this process is necessary to…

Quantitative Methods · Quantitative Biology 2025-01-09 Deng Luo , Zainab Alsuwaykit , Dawar Khan , Ondřej Strnad , Tobias Isenberg , Ivan Viola

A practical method utilising three-dimensional image pattern matching is proposed which, in principle, is capable of unambiguous determination of the types and positions of atoms in small molecules from defocus series collected at only a…

Image and Video Processing · Electrical Eng. & Systems 2019-12-02 T. E. Gureyev , H. M. Quiney , A. Kozlov , L. J. Allen

We consider the problem in Electrical Impedance Tomography (EIT) of identifying one or multiple inclusions in a background-conducting body $\Omega\subset\mathbb{R}^2$, from the knowledge of a finite number of electrostatic measurements…

Numerical Analysis · Mathematics 2025-02-07 Romina Gaburro , Patrick Healy , Shraddha Naidu , Clifford Nolan