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33rd IEEE International Workshop on Machine Learning for Signal Processing, MLSP 2023

作者： MacDonald, Kincaid Bhaskar, Dhananjay Thampakkul, Guy Nguyen, Nhi Zhang, Joia Perlmutter, Michael Adelstein, Ian Krishnaswamy, Smita Yale University Department of Mathematics United States Pomona College Department of Mathematics United States University of Washington Department of Statistics United States Boise State University Department of Mathematics United States Yale University Department of Computer Science United States Yale University Applied Mathematics Program United States Yale University Computational Biology and Bioinformatics Program United States

ISBN: (纸本)9798350324112

We consider the problem of embedding point cloud data sampled from an underlying manifold with an associated flow or velocity. Such data arises in many contexts where static snapshots of dynamic entities are measured, including in high-throughput biology such as single-cell transcriptomics. Existing embedding techniques either do not utilize velocity information or embed the coordinates and velocities independently, i.e., they either impose velocities on top of an existing point embedding or embed points within a prescribed vector field. Here we present FlowArtist, a neural network that embeds points while jointly learning a vector field around the points. The combination allows FlowArtist to better separate and visualize velocity-informed structures. Our results, on toy datasets and single-cell RNA velocity data, illustrate the value of utilizing coordinate and velocity information in tandem for embedding and visualizing high-dimensional data. © 2023 IEEE.

关键词： RNA

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A linked data graph approach to integration of immunological data

A linked data graph approach to integration of immunological...

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IEEE International Conference on bioinformatics and Biomedicine

作者： Syed Ahmad Chan Bukhari Jeff Mandell Steven H. Kleinstein Kei-Hoi Cheung Division of Computer Science Mathematics and Science Lesley H. & William L. Collins College of Professional Studies St. John's University Interdepartmental Program in Computational Biology and Bioinformatics Yale University Department of Pathology Interdepartmental Program in Computational Biology and Bioinformatics Yale University Department of Emergency Medicine and Yale Center for Medical Informatics Computationa Biology and Bioinformaticcs Yale University

ISBN: (纸本)9781728118680

Systems biology involves the integration of multiple data types (across different data sources) to offer a more complete picture of the biological system being studied. While many existing biological databases are implemented using the traditional SQL (Structured Query Language) database technology, NoSQL database technologies have been explored as a more relationship-based, flexible and scalable method of data integration. In this paper, we describe how to use the Neo4J graph database to integrate a variety of types of data sets in the context of systems vaccinology. Specifically, we have converted into a common graph model diverse types of vaccine response measurement data from the NIH/NIAID ImmPort data repository, pathway data from Reactome, influenza virus strains from WHO, and taxonomic data from NCBI Taxon. While Neo4J provides a graph-based query language (Cypher) for data retrieval, we develop a web-based dashboard for users to easily browse and visualize data without the need to learn Cypher. In addition, we have prototyped a natural language query interface for users to interact with our system. In conclusion, we demonstrate the feasibility of using a graph-based database for storing and querying immunological data with complex biological relationships. Querying a graph database through such relationships has the potential to reveal novel relationships among heterogeneous biological data.

关键词： ontology knowledgebase graph database immunology influenza vaccine graphic library Knowledge Bases Influenza Vaccines Ontology Immunology data integration Passwords DNA Integration integration data types Data sources SQL

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Rewriting regulatory DNA to dissect and reprogram gene expression

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Cell 2025年

作者： Martyn, Gabriella E. Montgomery, Michael T. Jones, Hank Guo, Katherine Doughty, Benjamin R. Linder, Johannes Bisht, Deepa Xia, Fan Cai, Xiangmeng S. Chen, Ziwei Cochran, Kelly Lawrence, Kathryn A. Munson, Glen Pampari, Anusri Fulco, Charles P. Sahni, Nidhi Kelley, David R. Lander, Eric S. Kundaje, Anshul Engreitz, Jesse M. Department of Genetics Stanford University School of Medicine Stanford 94305 CA United States Basic Science and Engineering Initiative Stanford Children's Health Betty Irene Moore Children's Heart Center Stanford 94305 CA United States Calico Life Sciences LLC South San Francisco 94080 CA United States Department of Genitourinary Medical Oncology Division of Cancer Medicine The University of Texas MD Anderson Cancer Center Houston 77030 TX United States Department of Genomic Medicine The University of Texas MD Anderson Cancer Center Houston 77030 TX United States Department of Epigenetics and Molecular Carcinogenesis The University of Texas MD Anderson Cancer Center Houston 77230 TX United States Department of Bioengineering Stanford University Stanford 94305 CA United States Department of Computer Science Stanford University Stanford 94305 CA United States Novo Nordisk Foundation Center for Genomic Mechanisms of Disease Broad Institute of MIT and Harvard Cambridge 02142 MA United States Gene Regulation Observatory Broad Institute of MIT and Harvard Cambridge 02142 MA United States Broad Institute of MIT and Harvard Cambridge 02142 MA United States Department of Bioinformatics and Computational Biology The University of Texas MD Anderson Cancer Center Houston 77230 TX United States Quantitative and Computational Biosciences Program Baylor College of Medicine Houston 77030 TX United States Department of Biology MIT Cambridge 02139 MA United States Department of Systems Biology Harvard Medical School Boston 02115 MA United States Stanford Cardiovascular Institute Stanford University Stanford 94305 CA United States

Regulatory DNA provides a platform for transcription factor binding to encode cell-type-specific patterns of gene expression. However, the effects and programmability of regulatory DNA sequences remain difficult to map or predict. Here, we develop variant effects from flow-sorting experiments with CRISPR targeting screens (Variant-EFFECTS) to introduce hundreds of designed edits to endogenous regulatory DNA and quantify their effects on gene expression. We systematically dissect and reprogram 3 regulatory elements for 2 genes in 2 cell types. These data reveal endogenous binding sites with effects specific to genomic context, transcription factor motifs with cell-type-specific activities, and limitations of computational models for predicting the effect sizes of variants. We identify small edits that can tune gene expression over a large dynamic range, suggesting new possibilities for prime-editing-based therapeutics targeting regulatory DNA. Variant-EFFECTS provides a generalizable tool to dissect regulatory DNA and to identify genome editing reagents that tune gene expression in an endogenous context. © 2025 Elsevier Inc.

关键词： CRISPR enhancers gene regulation high-throughput screening non-coding variants predictive models prime editing RNA FlowFISH sequence design transcription factors

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Bayesian multinomial logistic normal models through marginally latent matrix-T processes

The Journal of Machine Learning Research

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The Journal of Machine Learning Research 2022年第1期23卷 255-296页

作者： Justin D. Silverman Kimberly Roche Zachary C. Holmes Lawrence A. David Sayan Mukherjee College of Information Science and Technology Department of Statistics and Institute for Computational and Data Science Penn State University University Park PA Program in Computational Biology and Bioinformatics Duke University Durham NC Department of Molecular Genetics and Microbiology Duke University Durham NC Department of Molecular Genetics and Microbiology and Center for Genomic and Computational Biology Duke University Durham NC Departments of Statistical Science Mathematics Computer Science Biostatistics & Bioinformatics Duke University Durham NC

Bayesian multinomial logistic-normal (MLN) models are popular for the analysis of sequence count data (e.g., microbiome or gene expression data) due to their ability to model multivariate count data with complex covariance structure. However, existing implementations of MLN models are limited to small datasets due to the non-conjugacy of the multinomial and logistic-normal distributions. Motivated by the need to develop efficient inference for Bayesian MLN models, we develop two key ideas. First, we develop the class of Marginally Latent Matrix-T Process (Marginally LTP) models. We demonstrate that many popular MLN models, including those with latent linear, non-linear, and dynamic linear structure are special cases of this class. Second, we develop an efficient inference scheme for Marginally LTP models with specific accelerations for the MLN subclass. Through application to MLN models, we demonstrate that our inference scheme are both highly accurate and often 4-5 orders of magnitude faster than MCMC.

关键词： Bayesian statistics multivariate analysis count data microbiome gene expression

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Hyperbolic Diffusion Procrustes Analysis for Intrinsic Representation of Hierarchical Data Sets

Hyperbolic Diffusion Procrustes Analysis for Intrinsic Repre...

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International Conference on Acoustics, Speech, and Signal Processing (ICASSP)

作者： Ya-Wei Eileen Lin Yuval Kluger Ronen Talmon Viterbi Faculty of Electrical and Computer Engineering Technion Interdepartmental Program in Computational Biology and Bioinformatics Yale University Applied Math Program Yale University Department of Pathology School of Medicine Yale University

In this paper, we present Hyperbolic Diffusion Procrustes Analysis (HDPA), a new method for informative representation of hierarchical datasets based on hyperbolic geometry, diffusion geometry, and Procrustes analysis. Our method jointly embeds multiple datasets in a product manifold of hyperbolic spaces, where the data's hidden common hierarchical structure is provably recovered. In addition, our method generates an intrinsic embedding that accommodates the joint representation of multiple datasets with different features, acquired by different equipment, at different sites, or under different environmental conditions. Experimental results demonstrate the efficacy of HDPA on three biomedical datasets comprising heterogeneous gene expression and mass cytometry data.

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Association between response to brief trastuzumab exposure in cell lines and early stage HER2+ breast tumors 11

Association between response to brief trastuzumab exposure i...

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2011 ACM Conference on bioinformatics, computational biology and Biomedicine, ACM-BCB 2011

作者： Sprecher, Emmett Sarkar, Sudipa Kleinstein, Steven H. Narayan, Murli Winer, Eric Tuck, David Lezon-Geyda, Kimberly Krop, Ian Harris, Lyndsay Department of Pathology Pathology Informatics United States Interdepartmental Program in Computational Biology and Bioinformatics United States Medical Oncology Yale Cancer Center United States School of Medicine Yale University New Haven CT United States Department of Medical Oncology Dana-Farber Cancer Institute Boston MA United States

ISBN: (纸本)9781450307963

Human epidermal growth factor receptor 2 amplified (HER2+) breast cancer is common and aggressive. Trastuzumab is a targeted therapy to the HER2 cell surface receptor and has greatly improved prognosis for HER2+ breast cancer patients, but trastuzumab-resistance is a significant problem. Few biomarkers of trastuzumab resistance of response have been found, and there has been tremendous difficulty identifying in vitro biomarkers that transfer to the in vivo HER2+ breast cancer setting. We identified gene expression signatures of trastuzumabresponse and trastuzumab-resistance in HER2+ breast cancer cell lines across 24-hour exposure to trastuzumab. A set of 180-genes changed significantly in a trastuzumab-sensitive HER2+ cell line (BT474) and 58 genes changed significantly across treatment in a trastuzumab-resistant HER2+ cell line (UACC812). To demonstrate that these signatures have clinical relevance, we applied them in vivo to gene expression profiles from early stage HER2+ breast tumors treated with a single dose of trastuzumab. We found that the BT474 trastuzumabresponsive signature was enriched among the changes in expression across treatment for responsive patients. The expression change for the BT474 signature genes was also able to partially cluster responsive and resistant breast tumors by outcome. A subset of the UACC812 trastuzumab-resistance signature was also enriched in the differential between responsive and resistant tumors prior to trastuzumab treatment. These results show for the first time that cell line-derived gene signatures can be useful in identifying whether breast cancer patients will ultimately benefit from trastuzumab treatment. This approach might one day be applied to enhance clinical treatment decisions. Copyright © 2011 ACM.

关键词： Gene expression

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A Study of Classification Techniques Based on Spike Protein Sequences of MERS-CoV 23

A Study of Classification Techniques Based on Spike Protein ...

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Proceedings of the 2023 10th International Conference on Biomedical and bioinformatics Engineering

作者： Hayeon Kim Myeongji Cho Hyeon S. Son Laboratory of Computational Biology & Bioinformatics Graduate School of Public Health Seoul National University Republic of Korea and Institute of Health and Environment Seoul National University Republic of Korea Laboratory of Computational Biology & Bioinformatics Graduate School of Public Health Seoul National University Republic of Korea Laboratory of Computational Biology & Bioinformatics Graduate School of Public Health Seoul National University Republic of Korea Institute of Health and Environment Seoul National University Republic of Korea and Interdisciplinary Graduate Program in Bioinformatics College of Natural Science Seoul National University Republic of Korea

ISBN: (纸本)9798400708343

MERS-CoV, which belongs to the beta-coronaviruses together with SARS-CoV-2, although it has received relatively less attention by the COVID-19 pandemic, there is a sufficient possibility of new MERS-CoV lineages and variants. Previous studies have discussed the possibility of frequent recombination of MERS-CoV. We thus present a highly accurate method for the phylogenetic analysis and classification of MERS-CoV including recombinant sequences. We collected the sequences of S protein from MERS-CoV and divided them into five phylogenetic groups, of which recombinant sequences were divided into seven types. Physicochemical properties of amino acids were then calculated from the S protein sequences, and the results were used for the random forest model, Naïve Bayes classification, and k-nearest neighbor method. We also constructed several feature subsets based on the ranked amino acid properties and applied them to the random forest model. In each dataset, the amino acid physicochemical properties were ranked differently. Using this information, classification of MERS-CoV based on machine learning algorithms showed that the random forest model had the best accuracy and area under the curve compared with the k-nearest neighbor and Naïve Bayes classification methods. Several feature subsets were constructed using the correlation feature selection algorithm and applied to the random forest model. Overall, the performance of the classifier was improved compared to that when using all features. Coronaviruses including MERS-CoV continue to evolve into new forms through recombination or mutation. We thus present a method to increase the accuracy of their classification using additional information of the viral protein sequence, and confirm that a subunit consisting of optimal prominent features can improve the performance of the classifier by removing the unnecessary characteristic information.

关键词： MERS-CoV classification machine learning

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Crystallization of asymmetric patchy models for globular proteins in solution

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Physical Review E 2013年第1期88卷 012721-012721页

作者： Diana Fusco Patrick Charbonneau Program in Computational Biology and Bioinformatics Duke University Durham North Carolina 27708 USA Department of Chemistry Duke University Durham North Carolina 27708 USA Department of Physics Duke University Durham North Carolina 27708 USA

Asymmetric patchy particle models have recently been shown to describe the crystallization of small globular proteins with near-quantitative accuracy. Here, we investigate how asymmetry in patch geometry and bond energy generally impacts the phase diagram and nucleation dynamics of this family of soft matter models. We find the role of the geometry asymmetry to be weak, but the energy asymmetry to markedly interfere with the crystallization thermodynamics and kinetics. These results provide a rationale for the success and occasional failure of the proposal of George and Wilson for protein crystallization conditions as well as physical guidance for developing more effective protein crystallization strategies.

关键词： Crystallization asymmetric globular Crystallization soft matter Solutions globular protein globular shape Bond energy ASYMMETRIC Phase diagrams

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Ribosomes guide pachytene piRNA formation on long intergenic piRNA precursors (vol 22, pg 200, 2020)

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NATURE CELL biology 2020年第3期22卷 353-353页

作者： Sun, Yu H. Zhu, Jiang Xie, Li Huitong Li, Ziwei Meduri, Rajyalakshmi Zhu, Xiaopeng Song, Chi Chen, Chen Ricci, Emiliano P. Weng, Zhiping Li, Xin Zhiguo Center for RNA Biology: From Genome to Therapeutics Department of Biochemistry and Biophysics University of Rochester Medical Center Rochester NY USA Computational Biology Department Carnegie Mellon University Pittsburgh PA USA College of Public Health Division of Biostatistics The Ohio State University Columbus OH USA Department of Animal Science Michigan State University East Lansing MI USA Université de Lyon ENSL UCBL INSERM CNRS LBMC Lyon France Program in Bioinformatics and Integrative Biology University of Massachusetts Medical School Worcester MA USA Department of Urology University of Rochester Medical Center Rochester NY USA

An amendment to this paper has been published and can be accessed via a link at the top of the paper.

关键词： RNA Spermatogenesis

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Heterogeneous photocatalytic degradation of diuron on zinc oxide: Influence of surface-dependent adsorption on kinetics,degradation pathway,and toxicity of intermediates

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Journal of Environmental Sciences 2019年第10期31卷 97-111页

作者： Sutaporn Meephon Thanyada Rungrotmongkol Somchintana Puttamat Supareak Praserthdam Varong Pavarajarn Center of Excellence in Particle Technology Department of Chemical Engineering Faculty of Engineering Chulalongkorn University Bangkok 10330 Thailand Biocatalyst and Environmental Biotechnology Research Unit Department of Biochemistry Faculty of Science Chulalongkorn UniversityBangkok 10330 Thailand Bioinformatics and Computational Biology Program Graduated School Chulalongkorn University Bangkok 10330 Thailand Department of Chemistry Faculty of Science Thammasat University Pathumthani 12120 Thailand Center of Excellence on Catalysis and Catalytic Reaction Engineering Department of Chemical Engineering Faculty of EngineeringChulalongkorn University Bangkok 10330 Thailand Research Program in Hazardous Substance Management in Agricultural Industry Center of Excellence on Hazardous Substance Management(HSM) Bangkok 10330 Thailand

Heterogeneous photocatalytic reaction has been generally applied for degradation of toxic *** of a compound using the same kind of catalyst that was synthesized differently are commonly found in ***,the reported degradation intermediates are normally *** issue is especially important for the degradation of toxic compounds because intermediates may be more toxic than their parent compounds and understanding the reason is necessary if appropriate catalysts are to be *** work systematically compares the photocatalytic degradation of diuron,a toxic recalcitrant herbicide,on two forms of zinc oxide(ZnO),i.e.,conventional particles with zinc-and oxygen-terminated polar surfaces as the dominating planes,and nanorods with mixed-terminated nonpolar *** and theoretical results indicate that both the rate of reaction and the degradation pathway depend on the adsorption configuration of diuron onto the *** molecules adsorb in different alignments on the two surfaces,contributing to the formation of different degradation *** the aliphatic and aromatic sides of diuron adsorb on the polar surfaces simultaneously,leading to an attack by hydroxyl radicals from both *** the other hand,on the mixed-terminated surface,only the aliphatic part adsorbs and is *** exposed surface is therefore the key factor controlling the degradation *** diuron degradation on ZnO,a catalyst confined tomixed-terminated surfaces,i.e.,ZnO nanorods,is more desirable,as it avoids the formation of intermediates with potent phytotoxicity and cytogenotoxicity.

关键词： Diuron Photocatalysis Adsorption Degradation pathway Mechanism Toxicity

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