Fast principal component analysis for cryo-electron microscopy images

Principal component analysis (PCA) plays an important role in the analysis of cryo-electron microscopy (cryo-EM) images for various tasks such as classification, denoising, compression, and ab initio modeling. We introduce a fast method for estimating a compressed representation of the 2-D covarianc...

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Main Authors: Nicholas F. Marshall, Oscar Mickelin, Yunpeng Shi, Amit Singer
Format: Article
Language:English
Published: Cambridge University Press 2023-01-01
Series:Biological Imaging
Subjects:
Online Access:https://www.cambridge.org/core/product/identifier/S2633903X23000028/type/journal_article
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author Nicholas F. Marshall
Oscar Mickelin
Yunpeng Shi
Amit Singer
author_facet Nicholas F. Marshall
Oscar Mickelin
Yunpeng Shi
Amit Singer
author_sort Nicholas F. Marshall
collection DOAJ
description Principal component analysis (PCA) plays an important role in the analysis of cryo-electron microscopy (cryo-EM) images for various tasks such as classification, denoising, compression, and ab initio modeling. We introduce a fast method for estimating a compressed representation of the 2-D covariance matrix of noisy cryo-EM projection images affected by radial point spread functions that enables fast PCA computation. Our method is based on a new algorithm for expanding images in the Fourier–Bessel basis (the harmonics on the disk), which provides a convenient way to handle the effect of the contrast transfer functions. For $ N $ images of size $ L\times L $ , our method has time complexity $ O\left({NL}^3+{L}^4\right) $ and space complexity $ O\left({NL}^2+{L}^3\right) $ . In contrast to previous work, these complexities are independent of the number of different contrast transfer functions of the images. We demonstrate our approach on synthetic and experimental data and show acceleration by factors of up to two orders of magnitude.
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spelling doaj.art-09f0de9c54054f7986d452b7dfee879b2023-09-13T12:00:43ZengCambridge University PressBiological Imaging2633-903X2023-01-01310.1017/S2633903X23000028Fast principal component analysis for cryo-electron microscopy imagesNicholas F. Marshall0Oscar Mickelin1https://orcid.org/0000-0003-0167-1992Yunpeng Shi2https://orcid.org/0000-0003-2388-2766Amit Singer3Department of Mathematics, Oregon State University, Corvallis, Oregon 97331, USAProgram in Applied and Computational Mathematics, Princeton University, Princeton, New Jersey 08544, USAProgram in Applied and Computational Mathematics, Princeton University, Princeton, New Jersey 08544, USAProgram in Applied and Computational Mathematics, Princeton University, Princeton, New Jersey 08544, USA Department of Mathematics, Princeton University, Princeton, New Jersey 08544, USAPrincipal component analysis (PCA) plays an important role in the analysis of cryo-electron microscopy (cryo-EM) images for various tasks such as classification, denoising, compression, and ab initio modeling. We introduce a fast method for estimating a compressed representation of the 2-D covariance matrix of noisy cryo-EM projection images affected by radial point spread functions that enables fast PCA computation. Our method is based on a new algorithm for expanding images in the Fourier–Bessel basis (the harmonics on the disk), which provides a convenient way to handle the effect of the contrast transfer functions. For $ N $ images of size $ L\times L $ , our method has time complexity $ O\left({NL}^3+{L}^4\right) $ and space complexity $ O\left({NL}^2+{L}^3\right) $ . In contrast to previous work, these complexities are independent of the number of different contrast transfer functions of the images. We demonstrate our approach on synthetic and experimental data and show acceleration by factors of up to two orders of magnitude.https://www.cambridge.org/core/product/identifier/S2633903X23000028/type/journal_articleCovariance estimationcryo-EMdenoisingFourier–Besselprincipal component analysissingle particle reconstruction
spellingShingle Nicholas F. Marshall
Oscar Mickelin
Yunpeng Shi
Amit Singer
Fast principal component analysis for cryo-electron microscopy images
Biological Imaging
Covariance estimation
cryo-EM
denoising
Fourier–Bessel
principal component analysis
single particle reconstruction
title Fast principal component analysis for cryo-electron microscopy images
title_full Fast principal component analysis for cryo-electron microscopy images
title_fullStr Fast principal component analysis for cryo-electron microscopy images
title_full_unstemmed Fast principal component analysis for cryo-electron microscopy images
title_short Fast principal component analysis for cryo-electron microscopy images
title_sort fast principal component analysis for cryo electron microscopy images
topic Covariance estimation
cryo-EM
denoising
Fourier–Bessel
principal component analysis
single particle reconstruction
url https://www.cambridge.org/core/product/identifier/S2633903X23000028/type/journal_article
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