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We introduce the concept of compressed convolution, a technique to convolve a given data set with a large number of non-orthogonal kernels. In typical applications our technique drastically reduces the effective number of computations. The…

Instrumentation and Methods for Astrophysics · Physics 2014-01-08 F. Elsner , B. D. Wandelt

Mapping conformational heterogeneity of macromolecules presents a formidable challenge to X-ray crystallography and cryo-electron microscopy, which often presume its absence. This has severely limited our knowledge of the conformations…

Biological Physics · Physics 2015-05-14 P. Schwander , R. Fung , G. N. Phillips , A. Ourmazd

This paper introduces a novel numerical method for the inverse problem of electroencephalography(EEG). We pose the inverse EEG problem as an optimal control (OC) problem for Poisson's equation. The optimality conditions lead to a…

Numerical Analysis · Mathematics 2022-04-15 M. S. Malovichko , N. B. Yavich , A. M. Razorenova , N. A. Koshev

In single-particle cryo-electron microscopy (cryo-EM), K-means clustering algorithm is widely used in unsupervised 2D classification of projection images of biological macromolecules. 3D ab initio reconstruction requires accurate…

Quantitative Methods · Quantitative Biology 2017-01-03 Yaofang Xu , Jiayi Wu , Chang-Cheng Yin , Youdong Mao

Most decision and optimization problems encountered in practice fall into one of two categories with respect to any particular solving method or algorithm: either the problem is solved quickly (easy) or else demands an impractically long…

Disordered Systems and Neural Networks · Physics 2009-10-31 Simona Cocco , Remi Monasson

We consider inverse problems estimating distributed parameters from indirect noisy observations through discretization of continuum models described by partial differential or integral equations. It is well understood that the errors…

Numerical Analysis · Mathematics 2023-10-09 Albero Bocchinfuso , Daniela Calvetti , Erkki Somersalo

Electrical Impedance Tomography gives rise to the severely ill-posed Calder\'on problem of determining the electrical conductivity distribution in a bounded domain from knowledge of the associated Dirichlet-to-Neumann map for the governing…

Analysis of PDEs · Mathematics 2022-01-26 Kim Knudsen , Aksel K. Rasmussen

We study the set of image tuples arising from fixed cameras observing varying planar 3-dimensional point configurations. We derive a formula for the number of complex critical points of the triangulation problem, which seeks to reconstruct…

Algebraic Geometry · Mathematics 2026-05-01 Petr Hrubý , Elima Shehu

We consider the problem of reconstructing the paths of a set of points over time, where, at each of a finite set of moments in time the current positions of points in space are only accessible through some small number of their X-rays. This…

Data Structures and Algorithms · Computer Science 2018-11-08 Andreas Alpers , Peter Gritzmann

A common task in single particle electron cryomicroscopy (cryo-EM) is the rigid alignment of images and/or volumes. In the context of images, a rigid alignment involves estimating the inner-product between one image of $N\times N$ pixels…

Numerical Analysis · Mathematics 2022-12-07 Aaditya V. Rangan

Volumetric crystal structure indexing and orientation mapping are key data processing steps for virtually any quantitative study of spatial correlations between the local chemistry and the microstructure of a material. For electron and…

Computational Physics · Physics 2020-09-03 Markus Kühbach , Matthew Kasemer , Baptiste Gault , Andrew Breen

Nanoscientists have long conjectured that adjacent nanoparticles aggregate with one another in certain preferential directions during a chemical synthesis of nanoparticles, which is referred to the oriented attachment. For the study of the…

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

Precisely measuring the three-dimensional position and orientation of individual fluorophores is challenging due to the substantial photon shot noise in single-molecule experiments. Facing this limited photon budget, numerous techniques…

Optics · Physics 2021-02-02 Oumeng Zhang , Matthew D. Lew

We introduce a computational method to discover polymorphs in molecular crystals at finite temperature. The method is based on reproducing the crystallization process starting from the liquid and letting the system discover the relevant…

Chemical Physics · Physics 2020-04-10 Pablo M. Piaggi , Michele Parrinello

The complexity of a computational problem is traditionally quantified based on the hardness of its worst case. This approach has many advantages and has led to a deep and beautiful theory. However, from the practical perspective, this…

Computational Complexity · Computer Science 2012-05-23 Yonatan Bilu , Amit Daniely , Nati Linial , Michael Saks

We solve the orientation recovery of a tumbling protein in the gas phase from single-event measurements of the spatial positions of its ions after an X-ray laser induced explosion. We simulate diffracted X-ray signal and ion dynamics under…

Chemical Physics · Physics 2026-03-26 Tomas André , Alfredo Bellisario , Nicusor Timneanu , Carl Caleman

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

Destriping is a classical problem in remote sensing image processing. Although considerable effort has been made to remove stripes, few of the existing methods can eliminate stripe noise with arbitrary orientations. This situation makes the…

Computer Vision and Pattern Recognition · Computer Science 2018-09-07 Xinxin Liu , Xiliang Lu , Huanfeng Shen , Qiangqiang Yuan , Liangpei Zhang

Orbit recovery problems are a class of problems that often arise in practice and various forms. In these problems, we aim to estimate an unknown function after being distorted by a group action and observed via a known operator. Typically,…

Methodology · Statistics 2024-01-31 Yuehaw Khoo , Sounak Paul , Nir Sharon
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