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  1. Article ; Online: Deep generative model embedding of single-cell RNA-Seq profiles on hyperspheres and hyperbolic spaces.

    Ding, Jiarui / Regev, Aviv

    Nature communications

    2021  Volume 12, Issue 1, Page(s) 2554

    Abstract: Single-cell RNA-Seq (scRNA-seq) is invaluable for studying biological systems. Dimensionality reduction is a crucial step in interpreting the relation between cells in scRNA-seq data. However, current dimensionality reduction methods are often confounded ...

    Abstract Single-cell RNA-Seq (scRNA-seq) is invaluable for studying biological systems. Dimensionality reduction is a crucial step in interpreting the relation between cells in scRNA-seq data. However, current dimensionality reduction methods are often confounded by multiple simultaneous technical and biological variability, result in "crowding" of cells in the center of the latent space, or inadequately capture temporal relationships. Here, we introduce scPhere, a scalable deep generative model to embed cells into low-dimensional hyperspherical or hyperbolic spaces to accurately represent scRNA-seq data. ScPhere addresses multi-level, complex batch factors, facilitates the interactive visualization of large datasets, resolves cell crowding, and uncovers temporal trajectories. We demonstrate scPhere on nine large datasets in complex tissue from human patients or animal development. Our results show how scPhere facilitates the interpretation of scRNA-seq data by generating batch-invariant embeddings to map data from new individuals, identifies cell types affected by biological variables, infers cells' spatial positions in pre-defined biological specimens, and highlights complex cellular relations.
    MeSH term(s) Animals ; Colon ; Computational Biology/methods ; Epithelial Cells ; Gene Expression Profiling/methods ; Humans ; Machine Learning ; RNA-Seq/methods ; Sequence Analysis, RNA/methods ; Single-Cell Analysis/methods
    Language English
    Publishing date 2021-05-05
    Publishing country England
    Document type Journal Article ; Research Support, N.I.H., Extramural ; Research Support, Non-U.S. Gov't
    ZDB-ID 2553671-0
    ISSN 2041-1723 ; 2041-1723
    ISSN (online) 2041-1723
    ISSN 2041-1723
    DOI 10.1038/s41467-021-22851-4
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  2. Book ; Online: Role of Structural and Conformational Diversity for Machine Learning Potentials

    Shenoy, Nikhil / Tossou, Prudencio / Noutahi, Emmanuel / Mary, Hadrien / Beaini, Dominique / Ding, Jiarui

    2023  

    Abstract: In the field of Machine Learning Interatomic Potentials (MLIPs), understanding the intricate relationship between data biases, specifically conformational and structural diversity, and model generalization is critical in improving the quality of Quantum ... ...

    Abstract In the field of Machine Learning Interatomic Potentials (MLIPs), understanding the intricate relationship between data biases, specifically conformational and structural diversity, and model generalization is critical in improving the quality of Quantum Mechanics (QM) data generation efforts. We investigate these dynamics through two distinct experiments: a fixed budget one, where the dataset size remains constant, and a fixed molecular set one, which focuses on fixed structural diversity while varying conformational diversity. Our results reveal nuanced patterns in generalization metrics. Notably, for optimal structural and conformational generalization, a careful balance between structural and conformational diversity is required, but existing QM datasets do not meet that trade-off. Additionally, our results highlight the limitation of the MLIP models at generalizing beyond their training distribution, emphasizing the importance of defining applicability domain during model deployment. These findings provide valuable insights and guidelines for QM data generation efforts.

    Comment: Accepted at NeurIPS 2023 AI4D3 and AI4S workshops
    Keywords Physics - Chemical Physics ; Computer Science - Machine Learning
    Subject code 006
    Publishing date 2023-10-30
    Publishing country us
    Document type Book ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  3. Article ; Online: Interpretable dimensionality reduction of single cell transcriptome data with deep generative models.

    Ding, Jiarui / Condon, Anne / Shah, Sohrab P

    Nature communications

    2018  Volume 9, Issue 1, Page(s) 2002

    Abstract: Single-cell RNA-sequencing has great potential to discover cell types, identify cell states, trace development lineages, and reconstruct the spatial organization of cells. However, dimension reduction to interpret structure in single-cell sequencing data ...

    Abstract Single-cell RNA-sequencing has great potential to discover cell types, identify cell states, trace development lineages, and reconstruct the spatial organization of cells. However, dimension reduction to interpret structure in single-cell sequencing data remains a challenge. Existing algorithms are either not able to uncover the clustering structures in the data or lose global information such as groups of clusters that are close to each other. We present a robust statistical model, scvis, to capture and visualize the low-dimensional structures in single-cell gene expression data. Simulation results demonstrate that low-dimensional representations learned by scvis preserve both the local and global neighbor structures in the data. In addition, scvis is robust to the number of data points and learns a probabilistic parametric mapping function to add new data points to an existing embedding. We then use scvis to analyze four single-cell RNA-sequencing datasets, exemplifying interpretable two-dimensional representations of the high-dimensional single-cell RNA-sequencing data.
    MeSH term(s) Algorithms ; Animals ; Cells/chemistry ; Cells/metabolism ; Databases, Nucleic Acid ; Humans ; Mice ; Models, Statistical ; RNA/chemistry ; RNA/genetics ; Sequence Analysis, RNA ; Single-Cell Analysis ; Software ; Transcriptome
    Chemical Substances RNA (63231-63-0)
    Language English
    Publishing date 2018-05-21
    Publishing country England
    Document type Journal Article ; Research Support, Non-U.S. Gov't
    ZDB-ID 2553671-0
    ISSN 2041-1723 ; 2041-1723
    ISSN (online) 2041-1723
    ISSN 2041-1723
    DOI 10.1038/s41467-018-04368-5
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  4. Article ; Online: An esophagus cell atlas reveals dynamic rewiring during active eosinophilic esophagitis and remission.

    Ding, Jiarui / Garber, John J / Uchida, Amiko / Lefkovith, Ariel / Carter, Grace T / Vimalathas, Praveen / Canha, Lauren / Dougan, Michael / Staller, Kyle / Yarze, Joseph / Delorey, Toni M / Rozenblatt-Rosen, Orit / Ashenberg, Orr / Graham, Daniel B / Deguine, Jacques / Regev, Aviv / Xavier, Ramnik J

    Nature communications

    2024  Volume 15, Issue 1, Page(s) 3344

    Abstract: Coordinated cell interactions within the esophagus maintain homeostasis, and disruption can lead to eosinophilic esophagitis (EoE), a chronic inflammatory disease with poorly understood pathogenesis. We profile 421,312 individual cells from the ... ...

    Abstract Coordinated cell interactions within the esophagus maintain homeostasis, and disruption can lead to eosinophilic esophagitis (EoE), a chronic inflammatory disease with poorly understood pathogenesis. We profile 421,312 individual cells from the esophageal mucosa of 7 healthy and 15 EoE participants, revealing 60 cell subsets and functional alterations in cell states, compositions, and interactions that highlight previously unclear features of EoE. Active disease displays enrichment of ALOX15
    MeSH term(s) Humans ; Eosinophilic Esophagitis/genetics ; Eosinophilic Esophagitis/pathology ; Endothelial Cells/metabolism ; Interleukin-13 ; Inflammation/genetics
    Chemical Substances Interleukin-13
    Language English
    Publishing date 2024-04-18
    Publishing country England
    Document type Journal Article
    ZDB-ID 2553671-0
    ISSN 2041-1723 ; 2041-1723
    ISSN (online) 2041-1723
    ISSN 2041-1723
    DOI 10.1038/s41467-024-47647-0
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  5. Article ; Online: Temporal single-cell atlas of non-neuronal retinal cells reveals dynamic, coordinated multicellular responses to central nervous system injury.

    Benhar, Inbal / Ding, Jiarui / Yan, Wenjun / Whitney, Irene E / Jacobi, Anne / Sud, Malika / Burgin, Grace / Shekhar, Karthik / Tran, Nicholas M / Wang, Chen / He, Zhigang / Sanes, Joshua R / Regev, Aviv

    Nature immunology

    2023  Volume 24, Issue 4, Page(s) 700–713

    Abstract: Non-neuronal cells are key to the complex cellular interplay that follows central nervous system insult. To understand this interplay, we generated a single-cell atlas of immune, glial and retinal pigment epithelial cells from adult mouse retina before ... ...

    Abstract Non-neuronal cells are key to the complex cellular interplay that follows central nervous system insult. To understand this interplay, we generated a single-cell atlas of immune, glial and retinal pigment epithelial cells from adult mouse retina before and at multiple time points after axonal transection. We identified rare subsets in naive retina, including interferon (IFN)-response glia and border-associated macrophages, and delineated injury-induced changes in cell composition, expression programs and interactions. Computational analysis charted a three-phase multicellular inflammatory cascade after injury. In the early phase, retinal macroglia and microglia were reactivated, providing chemotactic signals concurrent with infiltration of CCR2
    MeSH term(s) Animals ; Mice ; Retina/injuries ; Retina/metabolism ; Macrophages ; Microglia ; Central Nervous System ; Monocytes
    Language English
    Publishing date 2023-02-20
    Publishing country United States
    Document type Journal Article ; Research Support, Non-U.S. Gov't ; Research Support, N.I.H., Extramural
    ZDB-ID 2016987-5
    ISSN 1529-2916 ; 1529-2908
    ISSN (online) 1529-2916
    ISSN 1529-2908
    DOI 10.1038/s41590-023-01437-w
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  6. Article: A robust hidden semi-Markov model with application to aCGH data processing.

    Ding, Jiarui / Shah, Sohrab

    International journal of data mining and bioinformatics

    2013  Volume 8, Issue 4, Page(s) 427–442

    Abstract: Hidden semi-Markov models are effective at modelling sequences with succession of homogenous zones by choosing appropriate state duration distributions. To compensate for model mis-specification and provide protection against outliers, we design a robust ...

    Abstract Hidden semi-Markov models are effective at modelling sequences with succession of homogenous zones by choosing appropriate state duration distributions. To compensate for model mis-specification and provide protection against outliers, we design a robust hidden semi-Markov model with Student's t mixture models as the emission distributions. The proposed approach is used to model array based comparative genomic hybridization data. Experiments conducted on the benchmark data from the Coriell cell lines, and glioblastoma multiforme data illustrate the reliability of the technique.
    MeSH term(s) Cell Line, Tumor ; Chromosomes, Human ; Comparative Genomic Hybridization/methods ; Electronic Data Processing/methods ; Genomics/methods ; Humans ; Markov Chains
    Language English
    Publishing date 2013-12-31
    Publishing country Switzerland
    Document type Journal Article
    ISSN 1748-5673
    ISSN 1748-5673
    DOI 10.1504/ijdmb.2013.056616
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  7. Article ; Online: densityCut: an efficient and versatile topological approach for automatic clustering of biological data.

    Ding, Jiarui / Shah, Sohrab / Condon, Anne

    Bioinformatics (Oxford, England)

    2016  Volume 32, Issue 17, Page(s) 2567–2576

    Abstract: Motivation: Many biological data processing problems can be formalized as clustering problems to partition data points into sensible and biologically interpretable groups.: Results: This article introduces densityCut, a novel density-based clustering ...

    Abstract Motivation: Many biological data processing problems can be formalized as clustering problems to partition data points into sensible and biologically interpretable groups.
    Results: This article introduces densityCut, a novel density-based clustering algorithm, which is both time- and space-efficient and proceeds as follows: densityCut first roughly estimates the densities of data points from a K-nearest neighbour graph and then refines the densities via a random walk. A cluster consists of points falling into the basin of attraction of an estimated mode of the underlining density function. A post-processing step merges clusters and generates a hierarchical cluster tree. The number of clusters is selected from the most stable clustering in the hierarchical cluster tree. Experimental results on ten synthetic benchmark datasets and two microarray gene expression datasets demonstrate that densityCut performs better than state-of-the-art algorithms for clustering biological datasets. For applications, we focus on the recent cancer mutation clustering and single cell data analyses, namely to cluster variant allele frequencies of somatic mutations to reveal clonal architectures of individual tumours, to cluster single-cell gene expression data to uncover cell population compositions, and to cluster single-cell mass cytometry data to detect communities of cells of the same functional states or types. densityCut performs better than competing algorithms and is scalable to large datasets.
    Availability and implementation: Data and the densityCut R package is available from https://bitbucket.org/jerry00/densitycut_dev
    Contact: : condon@cs.ubc.ca or sshah@bccrc.ca or jiaruid@cs.ubc.ca
    Supplementary information: Supplementary data are available at Bioinformatics online.
    MeSH term(s) Algorithms ; Cluster Analysis ; Gene Expression ; Gene Expression Profiling ; Humans ; Oligonucleotide Array Sequence Analysis
    Language English
    Publishing date 2016-04-23
    Publishing country England
    Document type Journal Article
    ZDB-ID 1422668-6
    ISSN 1367-4811 ; 1367-4803
    ISSN (online) 1367-4811
    ISSN 1367-4803
    DOI 10.1093/bioinformatics/btw227
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  8. Article: densityCut: an efficient and versatile topological approach for automatic clustering of biological data

    Ding, Jiarui / Shah, Sohrab / Condon, Anne

    Bioinformatics. 2016 Sept. 01, v. 32, no. 17

    2016  

    Abstract: Motivation : Many biological data processing problems can be formalized as clustering problems to partition data points into sensible and biologically interpretable groups. Results : This article introduces densityCut, a novel density-based clustering ... ...

    Abstract Motivation : Many biological data processing problems can be formalized as clustering problems to partition data points into sensible and biologically interpretable groups. Results : This article introduces densityCut, a novel density-based clustering algorithm, which is both time- and space-efficient and proceeds as follows: densityCut first roughly estimates the densities of data points from a K -nearest neighbour graph and then refines the densities via a random walk. A cluster consists of points falling into the basin of attraction of an estimated mode of the underlining density function. A post-processing step merges clusters and generates a hierarchical cluster tree. The number of clusters is selected from the most stable clustering in the hierarchical cluster tree. Experimental results on ten synthetic benchmark datasets and two microarray gene expression datasets demonstrate that densityCut performs better than state-of-the-art algorithms for clustering biological datasets. For applications, we focus on the recent cancer mutation clustering and single cell data analyses, namely to cluster variant allele frequencies of somatic mutations to reveal clonal architectures of individual tumours, to cluster single-cell gene expression data to uncover cell population compositions, and to cluster single-cell mass cytometry data to detect communities of cells of the same functional states or types. densityCut performs better than competing algorithms and is scalable to large datasets. Availability and Implementation : Data and the densityCut R package is available from https://bitbucket.org/jerry00/densitycut_dev . Contact : condon@cs.ubc.ca or sshah@bccrc.ca or jiaruid@cs.ubc.ca Supplementary information: Supplementary data are available at Bioinformatics online.
    Keywords algorithms ; bioinformatics ; cluster analysis ; computer software ; data collection ; gene expression ; information processing ; microarray technology ; neoplasms ; somatic mutation ; topology
    Language English
    Dates of publication 2016-0901
    Size p. 2567-2576.
    Publishing place Oxford University Press
    Document type Article
    ZDB-ID 1468345-3
    ISSN 1460-2059 ; 1367-4811 ; 1367-4803
    ISSN (online) 1460-2059 ; 1367-4811
    ISSN 1367-4803
    DOI 10.1093/bioinformatics/btw227
    Database NAL-Catalogue (AGRICOLA)

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  9. Article: The improvement of agronomic performances in the cold weather conditions for perennial wheatgrass by crossing

    Liu, Yizhuo / Song, Weiwei / Song, Anning / Wu, Chunfei / Ding, Jiarui / Yu, Xiaoning / Song, Jia / Liu, Miaomiao / Yang, Xinyuan / Jiang, Changtong / Zhao, Haibin / Song, Weifu / Liu, Dongjun / Yang, Xuefeng / Song, Qingjie / Li, Xinling / Cui, Lei / Li, Hongjie / Zhang, Yanming

    Frontiers in plant science

    2023  Volume 14, Page(s) 1207078

    Abstract: Thinopyrum ... ...

    Abstract Thinopyrum intermedium
    Language English
    Publishing date 2023-10-17
    Publishing country Switzerland
    Document type Journal Article
    ZDB-ID 2613694-6
    ISSN 1664-462X
    ISSN 1664-462X
    DOI 10.3389/fpls.2023.1207078
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  10. Article: SVM-RFE based feature selection for tandem mass spectrum quality assessment.

    Ding, Jiarui / Shi, Jinhong / Wu, Fang-Xiang

    International journal of data mining and bioinformatics

    2011  Volume 5, Issue 1, Page(s) 73–88

    Abstract: In literature, hundreds of features have been proposed to assess the quality of tandem mass spectra. However, many of these features are irrelevant in describing the spectrum quality and they can degenerate the spectrum quality assessment performance. We ...

    Abstract In literature, hundreds of features have been proposed to assess the quality of tandem mass spectra. However, many of these features are irrelevant in describing the spectrum quality and they can degenerate the spectrum quality assessment performance. We propose a two-stage Recursive Feature Elimination based on Support Vector Machine (SVM-RFE) method to select the highly relevant features from those collected in literature. Classifiers are trained to verify the relevance of selected features. The results demonstrate that these selected features can better describe the quality of tandem mass spectra and hence improve the performance of tandem mass spectrum quality assessment.
    MeSH term(s) Algorithms ; Artificial Intelligence ; Databases, Factual ; Pattern Recognition, Automated ; Proteins/chemistry ; Tandem Mass Spectrometry/methods
    Chemical Substances Proteins
    Language English
    Publishing date 2011-04-11
    Publishing country Switzerland
    Document type Journal Article ; Research Support, Non-U.S. Gov't
    ISSN 1748-5673
    ISSN 1748-5673
    DOI 10.1504/ijdmb.2011.038578
    Database MEDical Literature Analysis and Retrieval System OnLINE

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