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Phase-contrast and dark-field imaging are relatively new X-ray imaging modalities that provide additional information to conventional attenuation-based imaging. However, this new information comes at the price of a more complex acquisition…

Multi-energy CT has long demonstrated its ability to enhance image quality with material decomposition. Yet, it has largely been limited to applications that already have high contrast. More recently, x-ray phase-contrast (XPC) imaging has…

Medical Physics · Physics 2025-08-19 Giavanna Jadick , Patrick La Rivière

The number of noisy images required for molecular reconstruction in single-particle cryo-electron microscopy (cryo-EM) is governed by the autocorrelations of the observed, randomly-oriented, noisy projection images. In this work, we…

Numerical Analysis · Mathematics 2023-05-03 Tamir Bendory , Yuehaw Khoo , Joe Kileel , Oscar Mickelin , Amit Singer

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

Transmission electron microscopy (TEM) is a potent technique for the determination of three-dimensional atomic scale structure of samples in structural biology and materials science. In structural biology, three-dimensional structures of…

Electron cryomicroscopy (cryo-EM) is a technique in structural biology used to reconstruct accurate volumetric maps of molecules. One step of the cryo-EM pipeline involves solving an inverse-problem. This inverse-problem, referred to as…

Quantitative Methods · Quantitative Biology 2024-11-26 Aaditya V. Rangan , Wai-Shing Tang , Pilar Cossio , Kexin Zhang , Nikolaus Grigorieff

Background and Objective: The contrast of cryo-EM images varies from one to another, primarily due to the uneven thickness of the ice layer. This contrast variation can affect the quality of 2-D class averaging, 3-D ab-initio modeling, and…

Computer Vision and Pattern Recognition · Computer Science 2022-07-01 Yunpeng Shi , Amit Singer

Here, we evaluate multislice electron ptychography as a tool to carry out depth-resolved atomic resolution characterization of point defects, using silicon carbide as a case study. Through multislice electron scattering simulations and…

Materials Science · Physics 2025-05-15 Aaditya Bhat , Colin Gilgenbach , Junghwa Kim , Michael Xu , Menglin Zhu , James M. LeBeau

Electron tomography is becoming an increasingly important tool in materials science for studying the three-dimensional morphologies and chemical compositions of nanostructures. The image quality obtained by many current algorithms is…

Cryogenic electron microscopy (cryo-EM) has transformed structural biology by allowing to reconstruct 3D biomolecular structures up to near-atomic resolution. However, the 3D reconstruction process remains challenging, as the 3D structures…

Computer Vision and Pattern Recognition · Computer Science 2023-07-18 Bongjin Koo , Julien Martel , Ariana Peck , Axel Levy , Frédéric Poitevin , Nina Miolane

Cryo-electron microscopy (cryo-EM) has recently become a premier method for obtaining high-resolution structures of biological macromolecules. However, it is limited to biomolecular samples with low conformational heterogeneity, where all…

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

Cryo-electron microscopy (cryo-EM) has revolutionized experimental protein structure determination. Despite advances in high resolution reconstruction, a majority of cryo-EM experiments provide either a single state of the studied…

Cryo-electron microscopy (cryo-EM) has emerged as a powerful technique for resolving the three-dimensional structures of macromolecules. A key challenge in cryo-EM is characterizing continuous heterogeneity, where molecules adopt a…

Machine Learning · Statistics 2026-02-20 Roey Yadgar , Roy R. Lederman , Yoel Shkolnisky

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

Unsupervised machine learning methods are used to identify structural changes using the melting point transition in classical molecular dynamics simulations as an example application of the approach. Dimensionality reduction and clustering…

Computational Physics · Physics 2018-12-06 Nicholas Walker , Ka-Ming Tam , Brian Novak , M. Jarrell

An algorithm for determining crystal structures from diffraction data is described which does not rely on the usual Fourier-space formulations of atomicity. The new algorithm implements atomicity constraints in real-space, as well as…

Condensed Matter · Physics 2007-05-23 Veit Elser

The evolution of the atomic structures of the combinatorial library of Sm-substituted thin film BiFeO3 along the phase transition boundary from the ferroelectric rhombohedral phase to the non-ferroelectric orthorhombic phase is explored…

Data Analysis, Statistics and Probability · Physics 2021-03-03 Chris Nelson , Anna N. Morozovska , Maxim A. Ziatdinov , Eugene A. Eliseev , Xiaohang Zhang , Ichiro Takeuchi , Sergei V. Kalinin

Quantum imaging is an advanced method for microscopy or investigating the optical properties of materials or bio-medical inspections with high accuracy, low noise, and extremely low photo-damage. In previous work, we proposed a quantum…

Optics · Physics 2025-05-09 Mousume Samad , Maki Shimizu , Yasuto Hijikata

While Computerized Tomography (CT) images can help detect disease such as Covid-19, regular CT machines are large and expensive. Cheaper and more portable machines suffer from errors in geometry acquisition that downgrades CT image quality.…

Image and Video Processing · Electrical Eng. & Systems 2021-08-03 Peijian Ding