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Sökning: id:"swepub:oai:DiVA.org:uu-475200" > Unsupervised learni...

Unsupervised learning approaches to characterizing heterogeneous samples using X-ray single-particle imaging

Zhuang, Yulong (författare)
Max Planck Inst Struct & Dynam Matter, D-22761 Hamburg, Germany.;Ctr Free Electron Laser Sci, D-22761 Hamburg, Germany.
Awel, Salah (författare)
DESY, Ctr Free Electron Laser Sci CFEL, D-22607 Hamburg, Germany.
Barty, Anton (författare)
DESY, Ctr Free Electron Laser Sci CFEL, D-22607 Hamburg, Germany.
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Bean, Richard (författare)
European XFEL, D-22869 Schenefeld, Germany.
Bielecki, Johan (författare)
European XFEL, D-22869 Schenefeld, Germany.
Bergemann, Martin (författare)
European XFEL, D-22869 Schenefeld, Germany.
Daurer, Benedikt J. (författare)
Natl Univ Singapore, Ctr Bioimaging Sci, Singapore 117557, Singapore.
Ekeberg, Tomas, 1983- (författare)
Uppsala universitet,Molekylär biofysik
Estillore, Armando D. (författare)
DESY, Ctr Free Electron Laser Sci CFEL, D-22607 Hamburg, Germany.
Fangohr, Hans (författare)
Max Planck Inst Struct & Dynam Matter, D-22761 Hamburg, Germany.;Ctr Free Electron Laser Sci, D-22761 Hamburg, Germany.;European XFEL, D-22869 Schenefeld, Germany.;Univ Southampton, Southampton SO17 1BJ, Hants, England.
Giewekemeyer, Klaus (författare)
European XFEL, D-22869 Schenefeld, Germany.
Hunter, Mark S. (författare)
SLAC Natl Accelerator Lab, Linac Coherent Light Source, Menlo Pk, CA 94025 USA.
Karnevskiy, Mikhail (författare)
European XFEL, D-22869 Schenefeld, Germany.
Kirian, Richard A. (författare)
Arizona State Univ, Dept Phys, Tempe, AZ 85287 USA.
Kirkwood, Henry (författare)
European XFEL, D-22869 Schenefeld, Germany.
Kim, Yoonhee (författare)
European XFEL, D-22869 Schenefeld, Germany.
Koliyadu, Jayanath (författare)
European XFEL, D-22869 Schenefeld, Germany.
Lange, Holger (författare)
Univ Hamburg, Hamburg Ctr Ultrafast Imaging, D-22761 Hamburg, Germany.;Univ Hamburg, Inst Phys Chem, D-20146 Hamburg, Germany.
Letrun, Romain (författare)
European XFEL, D-22869 Schenefeld, Germany.
Luebke, Jannik (författare)
DESY, Ctr Free Electron Laser Sci CFEL, D-22607 Hamburg, Germany.;Univ Hamburg, Hamburg Ctr Ultrafast Imaging, D-22761 Hamburg, Germany.;Univ Hamburg, Dept Phys, D-22761 Hamburg, Germany.
Mall, Abhishek (författare)
Max Planck Inst Struct & Dynam Matter, D-22761 Hamburg, Germany.;Ctr Free Electron Laser Sci, D-22761 Hamburg, Germany.
Michelat, Thomas (författare)
European XFEL, D-22869 Schenefeld, Germany.
Morgan, Andrew J. (författare)
Univ Melbourne, Dept Phys, Melbourne, Vic 3010, Australia.
Roth, Nils (författare)
DESY, Ctr Free Electron Laser Sci CFEL, D-22607 Hamburg, Germany.;Univ Hamburg, Dept Phys, D-22761 Hamburg, Germany.
Samanta, Amit K. (författare)
DESY, Ctr Free Electron Laser Sci CFEL, D-22607 Hamburg, Germany.
Sato, Tokushi (författare)
European XFEL, D-22869 Schenefeld, Germany.
Shen, Zhou (författare)
Natl Univ Singapore, Ctr Bioimaging Sci, Singapore 117557, Singapore.
Sikorski, Marcin (författare)
DESY, Ctr Free Electron Laser Sci CFEL, D-22607 Hamburg, Germany.
Schulz, Florian (författare)
Univ Hamburg, Hamburg Ctr Ultrafast Imaging, D-22761 Hamburg, Germany.;Univ Hamburg, Inst Nanostruct & Solid State Phys, Luruper Chaussee 149, D-22761 Hamburg, Germany.
Spence, John C. H. (författare)
Arizona State Univ, Dept Phys, Tempe, AZ 85287 USA.
Vagovic, Patrik (författare)
DESY, Ctr Free Electron Laser Sci CFEL, D-22607 Hamburg, Germany.;European XFEL, D-22869 Schenefeld, Germany.
Wollweber, Tamme (författare)
Max Planck Inst Struct & Dynam Matter, D-22761 Hamburg, Germany.;Ctr Free Electron Laser Sci, D-22761 Hamburg, Germany.;Univ Hamburg, Hamburg Ctr Ultrafast Imaging, D-22761 Hamburg, Germany.
Worbs, Lena (författare)
DESY, Ctr Free Electron Laser Sci CFEL, D-22607 Hamburg, Germany.;Univ Hamburg, Dept Phys, D-22761 Hamburg, Germany.
Xavier, P. Lourdu (författare)
Max Planck Inst Struct & Dynam Matter, D-22761 Hamburg, Germany.;DESY, Ctr Free Electron Laser Sci CFEL, D-22607 Hamburg, Germany.;Univ Hamburg, Hamburg Ctr Ultrafast Imaging, D-22761 Hamburg, Germany.
Yefanov, Oleksandr (författare)
DESY, Ctr Free Electron Laser Sci CFEL, D-22607 Hamburg, Germany.
Maia, Filipe (författare)
Uppsala universitet,Molekylär biofysik,Lawrence Berkeley Natl Lab, NERSC, Berkeley, CA 94720 USA.
Horke, Daniel A. (författare)
DESY, Ctr Free Electron Laser Sci CFEL, D-22607 Hamburg, Germany.;Univ Hamburg, Hamburg Ctr Ultrafast Imaging, D-22761 Hamburg, Germany.;Radboud Univ Nijmegen, Inst Mol & Mat, NL-6525 AJ Nijmegen, Netherlands.
Küpper, Jochen (författare)
DESY, Ctr Free Electron Laser Sci CFEL, D-22607 Hamburg, Germany.;Univ Hamburg, Hamburg Ctr Ultrafast Imaging, D-22761 Hamburg, Germany.;Univ Hamburg, Dept Phys, D-22761 Hamburg, Germany.;Univ Hamburg, Dept Chem, D-20146 Hamburg, Germany.
Loh, N. Duane (författare)
Natl Univ Singapore, Ctr Bioimaging Sci, Singapore 117557, Singapore.;Natl Univ Singapore, Dept Phys, Singapore 117551, Singapore.
Mancuso, Adrian P. (författare)
European XFEL, D-22869 Schenefeld, Germany.;La Trobe Univ, La Trobe Inst Mol Sci, Dept Chem & Phys, Melbourne, Vic 3086, Australia.
Chapman, Henry N. (författare)
DESY, Ctr Free Electron Laser Sci CFEL, D-22607 Hamburg, Germany.;Univ Hamburg, Hamburg Ctr Ultrafast Imaging, D-22761 Hamburg, Germany.;Univ Hamburg, Dept Phys, D-22761 Hamburg, Germany.
Ayyer, Kartik (författare)
Max Planck Inst Struct & Dynam Matter, D-22761 Hamburg, Germany.;Ctr Free Electron Laser Sci, D-22761 Hamburg, Germany.;Univ Hamburg, Hamburg Ctr Ultrafast Imaging, D-22761 Hamburg, Germany.
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Max Planck Inst Struct & Dynam Matter, D-22761 Hamburg, Germany;Ctr Free Electron Laser Sci, D-22761 Hamburg, Germany. DESY, Ctr Free Electron Laser Sci CFEL, D-22607 Hamburg, Germany. (creator_code:org_t)
International Union of Crystallography (IUCr), 2022
2022
Engelska.
Ingår i: IUCrJ. - : International Union of Crystallography (IUCr). - 2052-2525. ; 9, s. 204-214
Relaterad länk:
https://doi.org/10.1...
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https://uu.diva-port... (primary) (Raw object)
https://urn.kb.se/re...
https://doi.org/10.1...
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  • Tidskriftsartikel (refereegranskat)
Abstract Ämnesord
Stäng  
  • One of the outstanding analytical problems in X-ray single-particle imaging (SPI) is the classification of structural heterogeneity, which is especially difficult given the low signal-to-noise ratios of individual patterns and the fact that even identical objects can yield patterns that vary greatly when orientation is taken into consideration. Proposed here are two methods which explicitly account for this orientation-induced variation and can robustly determine the structural landscape of a sample ensemble. The first, termed common-line principal component analysis (PCA), provides a rough classification which is essentially parameter free and can be run automatically on any SPI dataset. The second method, utilizing variation auto-encoders (VAEs), can generate 3D structures of the objects at any point in the structural landscape. Both these methods are implemented in combination with the noise-tolerant expand-maximizecompress (EMC) algorithm and its utility is demonstrated by applying it to an experimental dataset from gold nanoparticles with only a few thousand photons per pattern. Both discrete structural classes and continuous deformations are recovered. These developments diverge from previous approaches of extracting reproducible subsets of patterns from a dataset and open up the possibility of moving beyond the study of homogeneous sample sets to addressing open questions on topics such as nanocrystal growth and dynamics, as well as phase transitions which have not been externally triggered.

Ämnesord

NATURVETENSKAP  -- Fysik -- Atom- och molekylfysik och optik (hsv//swe)
NATURAL SCIENCES  -- Physical Sciences -- Atom and Molecular Physics and Optics (hsv//eng)

Nyckelord

coherent X-ray diffractive imaging (CXDI)
single particles
XFELs

Publikations- och innehållstyp

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art (ämneskategori)

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