MLCV@LCLS

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Welcome to the Machine Learning and Computer Vision group (MLCV) in the Data Systems Division of the Linac Coherent Light Source (LCLS) at SLAC National Accelerator Laboratory!

We are a group of researchers and engineers working on developing and applying machine learning and computer vision techniques to the analysis of X-ray free-electron laser (XFEL) data. Our mission is to enable the next generation of XFEL experiments by providing cutting-edge data analysis tools and techniques. We bring innovative solutions from our partners in academia and industry to the forefront of XFEL science.

Do not hesitate to contact us if you are interested in joining our group or collaborating on a project!

news

Mar 26, 2025 We had a great time at the West Coast Structural Biology Workshop 2025! Co-organized by Mike Thompson (UC Merced), Alec Follmer (UC Davis)and Sandra Mous (LCLS), the workshop was a great success with more than 100 early-career participants.
from left to right: Doris, Fred, Kevin, Luis (Hekstra Lab, Harvard), Oliver and Alec.
We are looking forward to the next edition in 2027!
Mar 10, 2025 To wrap up the Winter quarter, we had a Journal Club on Statistical Crystallography, where Fred presented the paper “Statistical crystallography reveals an allosteric network in SARS-CoV-2 Mpro” by TJ Lane and colleagues. It was a great opportunity to learn about allostery and the nascent field of statistical crystallography and to discuss the implications for what we do at LCLS.
from left to right: Jay, Doris, James, Marc, Adi, Louis, Nikolaus, Kevin, TJ, Amine, Pierre-Louis, Nathan and Axel.
This was the last meeting of the quarter, following amazing talks by Axel on ADP-3D, Louis on BayFAI, Nathan on PyPCA, as well as Jay on X-RAI! We also learned a great deal from the students through the “Things I learned” segment introduced by Doris, where Doris told us about the Welford’s algorithm, Nathan about Transformers, Louis about edge detection and Pierre-Louis about ray tracing! Looking forward to the Spring quarter!
Jan 01, 2025 The MLCV website is now live!
Dec 15, 2024 Our first Users from Latin America go home with at least 3 structures
Dec 07, 2024 Building a General Inference Engine for Chemical Dynamics Workshop - videos are online!
Nov 21, 2024 Daisy, Jacob, and Martin present their work at ICME 2024
Nov 21, 2024 John presents ARAMS at SC24 and ICME20
Sep 27, 2024 Jay wins the Outstanding Poster Award at the 2024 SSRL/LCLS Annual User's Meeting!
Aug 06, 2024 Kevin gives the inaugural MLCV Seminar
Apr 01, 2024 David opens his lab at Cold Spring Harbor Laboratory!
Sep 27, 2023 Doris wins the Outstanding Poster Award at the 2023 SSRL/LCLS Annual User's Meeting!
Apr 06, 2023 Axel delivers his SLAC Public Lecture!
Nov 16, 2022 Fred presents at IPAM workshop on cryoEM

selected publications

  1. Data Reduction
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    Matrix Sketching for Online Analysis of LCLS Imaging Datasets
    John Winnicki, Frédéric Poitevin, Haoyuan Li, and 1 more author
    In SuperComputing, 2024
  2. Crystallography
    mai2024assessing.png
    Assessing the applicability of Bayesian inference for merging small molecule microED data
    Huanghao Mai, Ariana Peck, Kevin M Dalton, and 4 more authors
    ChemRxiv, 2024
  3. Interpretability
    klindt2024towards.jpg
    Towards interpretable Cryo-EM: disentangling latent spaces of molecular conformations
    David A Klindt, Aapo Hyvärinen, Axel Levy, and 2 more authors
    Frontiers in Molecular Biosciences, 2024
  4. Crystallography
    hekstra2024sensitive.jpg
    Sensitive Detection of Structural Differences using a Statistical Framework for Comparative Crystallography
    Doeke R. Hekstra, Harrison K. Wang, Margaret A. Klureza, and 2 more authors
    bioRxiv, Jul 2024
  5. CryoEM
    levy2024revealing.png
    Revealing biomolecular structure and motion with neural ab initio cryo-EM reconstruction
    Axel Levy, Michal Grzadkowski, Frederic Poitevin, and 4 more authors
    bioRxiv, Jul 2024
  6. SPI
    shenoy2023scalable.jpg
    Scalable 3D Reconstruction From Single Particle X-Ray Diffraction Images Based on Online Machine Learning
    Jay Shenoy, Axel Levy, Frédéric Poitevin, and 1 more author
    arXiv preprint, Jul 2023
  7. Diffuse Scattering
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    Modeling diffuse scattering with simple, physically interpretable models
    Ariana Peck, Thomas J Lane, and Frédéric Poitevin
    In Methods in enzymology, Jul 2023
  8. CryoEM
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    CryoAI: Amortized inference of poses for ab initio reconstruction of 3d molecular volumes from real cryo-em images
    Axel Levy, Frédéric Poitevin, Julien Martel, and 6 more authors
    In European Conference on Computer Vision, Jul 2022
  9. Crystallography
    dalton2022careless.png
    A unifying Bayesian framework for merging X-ray diffraction data
    Kevin M. Dalton, Jack B. Greisman, and Doeke R. Hekstra
    Jul 2022