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Automated optimized parameters for T-distributed stochastic neighbor embedding improve visualization and analysis of large datasets

Author

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  • Anna C. Belkina

    (Department of Pathology and Laboratory Medicine, Boston University School of Medicine
    Boston University School of Medicine)

  • Christopher O. Ciccolella

    (Omiq, Inc)

  • Rina Anno

    (Kansas State University)

  • Richard Halpert

    (BD Life Sciences–FlowJo)

  • Josef Spidlen

    (BD Life Sciences–FlowJo)

  • Jennifer E. Snyder-Cappione

    (Boston University School of Medicine
    Boston University School of Medicine)

Abstract

Accurate and comprehensive extraction of information from high-dimensional single cell datasets necessitates faithful visualizations to assess biological populations. A state-of-the-art algorithm for non-linear dimension reduction, t-SNE, requires multiple heuristics and fails to produce clear representations of datasets when millions of cells are projected. We develop opt-SNE, an automated toolkit for t-SNE parameter selection that utilizes Kullback-Leibler divergence evaluation in real time to tailor the early exaggeration and overall number of gradient descent iterations in a dataset-specific manner. The precise calibration of early exaggeration together with opt-SNE adjustment of gradient descent learning rate dramatically improves computation time and enables high-quality visualization of large cytometry and transcriptomics datasets, overcoming limitations of analysis tools with hard-coded parameters that often produce poorly resolved or misleading maps of fluorescent and mass cytometry data. In summary, opt-SNE enables superior data resolution in t-SNE space and thereby more accurate data interpretation.

Suggested Citation

  • Anna C. Belkina & Christopher O. Ciccolella & Rina Anno & Richard Halpert & Josef Spidlen & Jennifer E. Snyder-Cappione, 2019. "Automated optimized parameters for T-distributed stochastic neighbor embedding improve visualization and analysis of large datasets," Nature Communications, Nature, vol. 10(1), pages 1-12, December.
  • Handle: RePEc:nat:natcom:v:10:y:2019:i:1:d:10.1038_s41467-019-13055-y
    DOI: 10.1038/s41467-019-13055-y
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    Cited by:

    1. Nils-Petter Rudqvist & Maud Charpentier & Claire Lhuillier & Erik Wennerberg & Sheila Spada & Caroline Sheridan & Xi Kathy Zhou & Tuo Zhang & Silvia C. Formenti & Jennifer S. Sims & Alicia Alonso & Sa, 2023. "Immunotherapy targeting different immune compartments in combination with radiation therapy induces regression of resistant tumors," Nature Communications, Nature, vol. 14(1), pages 1-23, December.
    2. Yanyan Diao & Dandan Liu & Huan Ge & Rongrong Zhang & Kexin Jiang & Runhui Bao & Xiaoqian Zhu & Hongjie Bi & Wenjie Liao & Ziqi Chen & Kai Zhang & Rui Wang & Lili Zhu & Zhenjiang Zhao & Qiaoyu Hu & Ho, 2023. "Macrocyclization of linear molecules by deep learning to facilitate macrocyclic drug candidates discovery," Nature Communications, Nature, vol. 14(1), pages 1-15, December.
    3. Adrià Fernández-Torras & Miquel Duran-Frigola & Martino Bertoni & Martina Locatelli & Patrick Aloy, 2022. "Integrating and formatting biomedical data as pre-calculated knowledge graph embeddings in the Bioteque," Nature Communications, Nature, vol. 13(1), pages 1-18, December.
    4. Lucy Xia & Christy Lee & Jingyi Jessica Li, 2024. "Statistical method scDEED for detecting dubious 2D single-cell embeddings and optimizing t-SNE and UMAP hyperparameters," Nature Communications, Nature, vol. 15(1), pages 1-21, December.
    5. Dina V. Hingorani & Michael M. Allevato & Maria F. Camargo & Jacqueline Lesperance & Maryam A. Quraishi & Joseph Aguilera & Ida Franiak-Pietryga & Daniel J. Scanderbeg & Zhiyong Wang & Alfredo A. Moli, 2022. "Monomethyl auristatin antibody and peptide drug conjugates for trimodal cancer chemo-radio-immunotherapy," Nature Communications, Nature, vol. 13(1), pages 1-16, December.
    6. Naziia Kurmasheva & Aida Said & Boaz Wong & Priscilla Kinderman & Xiaoying Han & Anna H. F. Rahimic & Alena Kress & Madalina E. Carter-Timofte & Emilia Holm & Demi Horst & Christoph F. Kollmann & Zhen, 2024. "Octyl itaconate enhances VSVΔ51 oncolytic virotherapy by multitarget inhibition of antiviral and inflammatory pathways," Nature Communications, Nature, vol. 15(1), pages 1-28, December.

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