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Classifying structural variability in noisy projections of biological macromolecules is a central problem in Cryo-EM. In this work, we build on a previous method for estimating the covariance matrix of the three-dimensional structure…

Computer Vision and Pattern Recognition · Computer Science 2015-12-08 Joakim Andén , Eugene Katsevich , Amit Singer

The one-body reduced density matrix (1-RDM) of a many-body system at zero temperature gives direct access to many observables, such as the charge density, kinetic energy and occupation numbers. It would be desirable to express it as a…

Computational Physics · Physics 2021-01-27 Jack Wetherell , Andrea Costamagna , Matteo Gatti , Lucia Reining

We propose a framework to jointly determine the deformation parameters and reconstruct the unknown volume in electron cryotomography (CryoET). CryoET aims to reconstruct three-dimensional biological samples from two-dimensional projections.…

Image and Video Processing · Electrical Eng. & Systems 2023-10-17 Valentin Debarnot , Sidharth Gupta , Konik Kothari , Ivan Dokmanic

Scanning Transmission Electron Microscopy (STEM) coupled with Electron Energy Loss Spectroscopy (EELS) presents a powerful platform for detailed material characterization via rich imaging and spectroscopic data. Modern electron microscopes…

Instrumentation and Detectors · Physics 2024-06-18 Utkarsh Pratiush , Austin Houston , Sergei V Kalinin , Gerd Duscher

Macromolecules change their shape (conformation) in the process of carrying out their functions. The imaging by cryo-electron microscopy of rapidly-frozen, individual copies of macromolecules (single particles) is a powerful and general…

Biomolecules · Quantitative Biology 2022-11-22 Bogdan Toader , Fred J. Sigworth , Roy R. Lederman

We consider the problem of recovering the three-dimensional atomic structure of a flexible macromolecule from a heterogeneous cryo-EM dataset. The dataset contains noisy tomographic projections of the electrostatic potential of the…

Image and Video Processing · Electrical Eng. & Systems 2023-02-08 Carlos Esteve-Yagüe , Willem Diepeveen , Ozan Öktem , Carola-Bibiane Schönlieb

EM algorithm is a convenient tool for maximum likelihood model fitting when the data are incomplete or when there are latent variables or hidden states. In this review article we explain that EM algorithm is a natural computational scheme…

Methodology · Statistics 2011-04-13 Zhangzhang Si , Haifeng Gong , Song-Chun Zhu , Ying Nian Wu

Phase contrast transmission electron microscopy (TEM) is a powerful tool for imaging the local atomic structure of materials. TEM has been used heavily in studies of defect structures of 2D materials such as monolayer graphene due to its…

Materials Science · Physics 2021-09-01 Robbie Sadre , Colin Ophus , Anstasiia Butko , Gunther H Weber

This paper presents a deep relational metric learning (DRML) framework for image clustering and retrieval. Most existing deep metric learning methods learn an embedding space with a general objective of increasing interclass distances and…

Computer Vision and Pattern Recognition · Computer Science 2021-08-24 Wenzhao Zheng , Borui Zhang , Jiwen Lu , Jie Zhou

Long-term memory is essential for LLM agents that operate across multiple sessions, yet existing memory systems treat retrieval infrastructure as fixed: stored content evolves while scoring functions, fusion strategies, and…

Machine Learning · Computer Science 2026-05-15 Jiaqi Liu , Xinyu Ye , Peng Xia , Zeyu Zheng , Cihang Xie , Mingyu Ding , Huaxiu Yao

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

The goal of cryo-electron microscopy (EM) is to reconstruct the 3-dimensional structure of a molecule from a collection of its 2-dimensional projected images. In this article, we show that the basic premise of cryo-EM --- patching together…

Computer Vision and Pattern Recognition · Computer Science 2017-04-25 Ke Ye , Lek-Heng Lim

Electron cryotomography (CryoET) is currently the only method capable of visualizing cells in 3D at nanometer resolutions. While modern instruments produce massive amounts of tomography data containing extremely rich structural information,…

Quantitative Methods · Quantitative Biology 2021-07-01 Muyuan Chen , James M. Bell , Xiaodong Shi , Stella Y. Sun , Zhao Wang , Steven J. Ludtke

Cryo-electron microscopy (cryo-EM) studies using single particle reconstruction is extensively used to reveal structural information of macromolecular complexes. Aiming at the highest achievable resolution, state of the art electron…

Computer Vision and Pattern Recognition · Computer Science 2020-05-04 Ramin Norousi , Stephan Wickles , Thomas Becker , Roland Beckmann , Volker J. Schmid , Achim Tresch

A major challenge in single-particle cryo-electron microscopy (cryo-EM) is that the orientations adopted by the 3D particles prior to imaging are unknown; yet, this knowledge is essential for high-resolution reconstruction. We present a…

Machine Learning · Computer Science 2021-04-14 Jelena Banjac , Laurène Donati , Michaël Defferrard

Half of wavefunction information is undetected by conventional transmission electron microscopy (CTEM) as only the intensity, and not the phase, of an image is recorded. Following successful applications of deep learning to optical hologram…

Image and Video Processing · Electrical Eng. & Systems 2020-01-31 Jeffrey M. Ede , Jonathan J. P. Peters , Jeremy Sloan , Richard Beanland

We present a physics-informed deep learning framework to address common limitations in Confocal Laser Scanning Microscopy (CLSM), such as diffraction limited resolution, noise, and undersampling due to low laser power conditions. The…

Materials Science · Physics 2025-01-27 Zaheer Ahmad , Junaid Shabeer , Usman Saleem , Tahir Qadeer , Abdul Sami , Zahira El Khalidi , Saad Mehmood

Accurate grain orientation mapping is essential for understanding and optimizing the performance of polycrystalline materials, particularly in energy-related applications. Lithium nickel oxide (LiNiO$_{2}$) is a promising cathode material…

Disordered Systems and Neural Networks · Physics 2025-11-26 Sebastian Wissel , Jonas Scheunert , Aaron Dextre , Shamail Ahmed , Andreas Bayer , Kerstin Volz , Bai-Xiang Xu

Extreme Learning Machine (ELM) is an efficient and effective least-square-based learning algorithm for classification, regression problems based on single hidden layer feed-forward neural network (SLFN). It has been shown in the literature…

Machine Learning · Computer Science 2020-11-05 Ramesh Ragala , Bharadwaja kumar

Deep learning (DL) inverse techniques have increased the speed of artificial electromagnetic material (AEM) design and improved the quality of resulting devices. Many DL inverse techniques have succeeded on a number of AEM design tasks, but…

Machine Learning · Computer Science 2021-12-21 Simiao Ren , Ashwin Mahendra , Omar Khatib , Yang Deng , Willie J. Padilla , Jordan M. Malof