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Elastic restricted Boltzmann machines for cancer data analysis

Frontiers of Electrical and Electronic Engineering in China 2017年第2期5卷 159-172页

作者： Sai Zhang Muxuan Liang Zhongjun Zhou Chen Zhang Ning Chen Ting Chen Jianyang Zeng Institute for Interdisciplinary Information Sciences Tsinghua University Beijing 100084 China Department of Statistics University of Wisconsin-Madison Madison WI 53706-1685 USA Bioinformatics Division TNLIST Department of Computer Science and Technology Tsinghua University Beijing 100084 China Program in Computational Biology and Bioinformatics Univesity of Southern California Los Angeles CA 90089 USA

Background： Restricted Boltzmann machines （RBMs） are endowed with the universal power of modeling （binary） joint distributions. Meanwhile, as a result of their confining network structure, training RBMs confronts less difficulties when dealing with approximation and inference issues. But little work has been developed to fully exploit the capacity of these models to analyze cancer data, e.g., cancer genomic, transcriptomic, proteomic and epigenomic data. On the other hand, in the cancer data analysis task, the number of features/predictors is usually much larger than the sample size, which is known as the ＇~ 〉〉 N＂ problem and is also ubiquitous in other bioinformatics and computational biology fields. The ＂p 〉〉 N＂ problem puts the bias-variance trade-off in a more crucial place when designing statistical learning methods. However, to date, few RBM models have been particularly designed to address this issue. Methods： We propose a novel RBMs model, called elastic restricted Boltzmann machines （eRBMs）, which incorporates the elastic regularization term into the likelihood function, to balance the model complexity and sensitivity. Facilitated by the classic contrastive divergence （CD） algorithm, we develop the elastic contrastive divergence （eCD） algorithm which can train eRBMs efficiently. Results： We obtain several theoretical results on the rationality and properties of our model. We further evaluate the power of our model based on a challenging task -- predicting dichotomized survival time using the molecular profiling of tumors. The test results show that the prediction performance of eRBMs is much superior to that of the state-of-the-art methods. Conclusions： The proposed eRBMs are capable of dealing with the ＂p 〉〉 N＂ problems and have superior modeling performance over traditional methods. Our novel model is a promising method for future cancer data analysis.

关键词： RBMs regularization cancer data analysis survival time prediction

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Structural characterization of RNA-binding sites of proteins: Preliminary results

Structural characterization of RNA-binding sites of proteins...

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IEEE International Conference on bioinformatics and Biomedicine Workshops (BIBMW)

作者： Fadi Towfic David C. Gemperline Cornelia Caragea Feihong Wu Drena Dobbs Vasant Honavar Bioinformatics and Computational Biology Graduate Program Iowa State University Ames IA USA Department of Biology Department of Chemistry Carthage College Kenosha WI USA Department of Computer Science Iowa State University Ames IA USA Department of Genetics Development and Cell Biology Bioinformatics and Computational Biology Graduate Program Iowa State University Ames IA USA Department of Computer Science Bioinformatics and Computational Biology Graduate Program Iowa State University Ames IA USA

We explore whether protein-RNA interfaces differ from non-interfaces in terms of their structural features and whether structural features vary according to the type of the bound RNA (e.g., mRNA, siRNA...etc), using a non-redundant dataset of 147 protein chains extracted from protein-RNA complexes in the protein data bank. Our analysis of surface roughness, solid angle and CX value of amino acid residues for each of the protein chains in the dataset shows that: The protein-RNA interface residues tend to be protruding compared to non-interface residues and tend to have higher surface roughness and exhibit moderately convex or concave solid angles. Furthermore, the protein chains in protein-RNA interfaces that contain Viral RNA and rRNA significantly differ from those that contain dsRNA, mRNA siRNA, snRNA, SRP RNA and tRNA with respect to their CX values. The results of this analysis sug gests the possibility of using such structural features to reliably identify protein-RNA interface residues when the structure of the protein is available but the structures of complexes formed by the protein with RNA are not.

关键词： RNA Protein engineering biology computing Amino acids bioinformatics computer interfaces Rough surfaces Surface roughness Solids Machine learning

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Cell-cycle phenotyping with conditional random fields: A case study in Saccharomyces cerevisiae

Cell-cycle phenotyping with conditional random fields: A cas...

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IEEE International Symposium on Biomedical Imaging

作者： Michael B. Mayhew Alexander J. Hartemink Program in Computational Biology & Bioinformatics Duke University Durham NC USA Department of Computer Science Program in Computational Biology & Bioinformatics Duke University Durham NC USA

ISBN: (纸本)9781467364560

High-resolution, multimodal microscopy grants an intimate view of the inner workings of cells. Complex processes like cell division can be monitored with microscope images, assuming identification of cells and their cell-cycle markers: cellular structures indicative of cell-cycle progress. Here, we explore how spatial relationships between these markers can facilitate their identification. We grew and synchronized Saccharomyces cerevisiae cell cultures and then acquired multimodal image data as the cells proceeded through the cell cycle. We trained a conditional random field model to capture pixel-level spatial relationships among three different cell-cycle markers observable in our images. We observed good predictive performance of this pixel-level model on three held-out test images, and performance improved when we used marker-level information from our training data to prune model predictions. Our results support the use of conditional random fields in bioimage labeling and encourage the use of as much multiscale information as available in training data when identifying cell-cycle markers.

关键词： Labeling Predictive models Biological system modeling Training data Microscopy Data models

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GranatumX:A Community-engaging, Modularized, and Flexible Webtool for Single-cell Data Analysis

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Genomics, Proteomics & bioinformatics 2021年第3期19卷 452-460页

作者： David G.Garmire Xun Zhu Aravind Mantravadi Qianhui Huang Breck Yunits Yu Liu Thomas Wolfgruber Olivier Poirion Tianying Zhao Cédric Arisdakessian Stefan Stanojevic Lana X.Garmire Department of Electrical Engineering&Computer Science University of MichiganAnn ArborMI 48109USA Epidemiology Program University of Hawaii Cancer CenterHonoluluHI 96813USA Department of Biostatistics University of MichiganAnn ArborMI 48109USA Department of Computational Medicine and Bioinformatics University of MichiganAnn ArborMI 48105USA Molecular Biosciences and Bioengineering Graduate Program University of Hawaii at ManoaHonoluluHI 96822USA

We present GranatumX,a next-generation software environment for single-cell RNA sequencing(scRNA-seq)data *** is inspired by the interactive webtool *** enables biologists to access the latest scRNA-seq bioinformatics methods in a web-based graphical *** also offers software developers the opportunity to rapidly promote their own tools with others in customizable *** architecture of GranatumX allows for easy inclusion of plugin modules,named Gboxes,which wrap around bioinformatics tools written in various programming languages and on various *** can be run on the cloud or private servers and generate reproducible *** is a community-engaging,flexible,and evolving software ecosystem for scRNA-seq analysis,connecting developers with bench *** is freely accessible at http://***/granatumx/app.

关键词： Single-cell RNA sequencing Analysis Pipeline Webtool Module

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Parsimonious reconstruction of network evolution

Parsimonious reconstruction of network evolution

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Lecture Notes in computer science

作者： Patro, Rob Sefer, Emre Malin, Justin Marçais, Guillaume Navlakha, Saket Kingsford, Carl Center for Bioinformatics and Computational Biology University of Maryland College Park MD 20742 United States Department of Computer Science University of Maryland College Park MD 20742 United States Computational Biology Bioinformatics and Genomics Concentration Biological Sciences Graduate Program University of Maryland College Park MD 20742 United States Program in Applied Mathematics Statistics and Scientific Computation University of Maryland College Park MD 20742 United States School of Computer Science Carnegie Mellon University Pittsburgh PA 15213 United States

ISBN: (纸本)9783642230370

We consider the problem of reconstructing a maximally parsimonious history of network evolution under models that support gene duplication and loss and independent interaction gain and loss. We introduce a combinatorial framework for encoding network histories, and we give a fast procedure that, given a set of duplication histories, in practice finds network histories with close to the minimum number of interaction gain or loss events. In contrast to previous studies, our method does not require knowing the relative ordering of unrelated duplication events. Results on simulated histories suggest that common ancestral networks can be accurately reconstructed using this parsimony approach. © 2011 Springer-Verlag.

关键词： Genes

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Phylogeographic and genetic network assessment of COVID-19 mitigation protocols on SARS-CoV-2 transmission in university campus residences

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eBioMedicine 2025年 116卷 105729-105729页

作者： Wertheim, Joel O. Vasylyeva, Tetyana I. Wood, Robert J. Cantrell, Kalen Contreras, Soraya Piña Feldheim, Aryeh Goyal, Ravi Havens, Jennifer L. Knight, Rob Laurent, Louise C. Moshiri, Niema Neuhard, Robert Sathe, Shashank Satterlund, Alysson Scioscia, Angela Song, Angela Y. Aigner, Stefan Andersen, Kristian G. Baer, Nathan A. Betty, Maryann Birmingham, Amanda Castro-Martinez, Anelizze Cheung, Willi De Hoff, Peter Fisch, Kathleen M. King, Alison J. Gangavarapu, Karthik Hakim, Abbas Henson, Benjamin Jepsen, Kristen Mac, Christina H. Ngo, Toan T. Nguyen, Kelly N. Ostrander, Tyler R. Perkins, Sarah Plascencia, Ashley Rivera, Andrea Rivera, Ariana Salido, Rodolfo A. Saucedo, Kieran C. Schwab, Madison Steedman, Allison L. Veder, Anthony Weiss, Alana Yeo, Gene W. Zeller, Mark Schooley, Robert T. Anderson, Cheryl M. Martin, Natasha K. Department of Medicine University of California San Diego La Jolla CA United States Department of Population Health and Disease Prevention University of California Irvine Irvine CA United States Herbert Wertheim School of Public Health and Human Longevity Science University of California San Diego La Jolla CA United States Department of Computer Science & Engineering University of California San Diego La Jolla CA United States Bioinformatics and Systems Biology Graduate Program University of California San Diego La Jolla CA United States Department of Pediatrics University of California San Diego La Jolla CA United States Department of Bioengineering University of California San Diego La Jolla CA United States Department of Computer Science and Engineering University of California San Diego La Jolla CA United States Center for Microbiome Innovation University of California San Diego La Jolla CA United States Halıcıoğlu Data Science Institute University of California San Diego La Jolla CA United States Department of Obstetrics Gynecology and Reproductive Sciences University of California San Diego La Jolla CA United States Sanford Consortium of Regenerative Medicine University of California San Diego La Jolla CA United States University of California San Diego La Jolla CA United States

Background: Congregate living provides an ideal setting for SARS-CoV-2 transmission in which many outbreaks and superspreading events occurred. To avoid large outbreaks, universities turned to remote operations during the initial COVID-19 pandemic waves in 2020 and 2021. In late-2021, the University of California San Diego (UC San Diego) facilitated the return of students to campus with comprehensive testing, vaccination, masking, wastewater surveillance, and isolation policies. Methods: We performed molecular epidemiological and phylogeographic analysis of 4418 SARS-CoV-2 genomes sampled from UC San Diego students during the Omicron waves between December 2021 and September 2022, representing 58% of students with confirmed SARS-CoV-2 infection. We overlaid these analyses across on-campus residential information to assess the spread and persistence of SARS-CoV-2 within university residences. Findings: Within campus residences, SARS-CoV-2 transmission was frequent among students residing in the same room or suite. However, a quarter of pairs of suitemates with concurrent infections had distantly related viruses, suggesting separate sources of infection during periods of high incidence in the surrounding community. Students with concurrent infections residing in the same building were not at substantial increased probability of being members of the same transmission cluster. Genetic network and phylogeographic inference indicated that only between 3.1 and 12.4% of infections among students could be associated with transmission within buildings outside of individual suites. The only super-spreading event we detected was related to a large event outside campus residences. Interpretation: We found little evidence for sustained SARS-CoV-2 transmission within individual buildings, aside from students who resided in the same suite. Even in the face of heightened community transmission during the 2021–2022 Omicron waves, congregate living did not result in a heightened risk

关键词： Mitigation Phylogeography SARS-CoV-2 Transmission cluster University

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Robocop: Multivariate state space model integrating epigenomic accessibility data to elucidate genome-wide chromatin occupancy 24th

Robocop: Multivariate state space model integrating epigenom...

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24th Annual Conference on Research in computational Molecular biology, RECOMB 2020

作者： Mitra, Sneha Zhong, Jianling MacAlpine, David M. Hartemink, Alexander J. Department of Computer Science Duke University DurhamNC27708 United States Program in Computational Biology and Bioinformatics Duke University DurhamNC27708 United States Department of Pharmacology and Cancer Biology Duke University Medical Center DurhamNC27710 United States Center for Genomic and Computational Biology Duke University DurhamNC27708 United States

ISBN: (纸本)9783030452568

Chromatin is the tightly packaged structure of DNA and protein within the nucleus of a cell. The arrangement of different protein complexes along the DNA modulates and is modulated by gene expression. Measuring the binding locations and level of occupancy of different transcription factors (TFs) and nucleosomes is therefore crucial to understanding gene regulation. Antibody-based methods for assaying chromatin occupancy are capable of identifying the binding sites of specific DNA binding factors, but only one factor at a time. On the other hand, epigenomic accessibility data like ATAC-seq, DNase-seq, and MNase-seq provide insight into the chromatin landscape of all factors bound along the genome, but with minimal insight into the identities of those factors. Here, we present RoboCOP, a multivariate state space model that integrates chromatin information from epigenomic accessibility data with nucleotide sequence to compute genome-wide probabilistic scores of nucleosome and TF occupancy, for hundreds of different factors at once. RoboCOP can be applied to any epigenomic dataset that provides quantitative insight into chromatin accessibility in any organism, but here we apply it to MNase-seq data to elucidate the protein-binding landscape of nucleosomes and 150 TFs across the yeast genome. Using available protein-binding datasets from the literature, we show that our model more accurately predicts the binding of these factors genome-wide. © Springer Nature Switzerland AG 2020.

关键词： Hidden Markov models

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Modularity detection in protein-protein interaction networks

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BMC Research Notes 2011年第1期4卷 1-6页

作者： Narayanan, Tejaswini Gersten, Merril Subramaniam, Shankar Grama, Ananth Department of Electrical and Computer Engineering University of California San Diego United States Graduate Program in Bioinformatics and Systems Biology University of California San Diego United States Department of Bioengineering University of California San Diego United States Department of Computer Science Purdue University West Lafayette IN United States

Background: Many recent studies have investigated modularity in biological networks, and its role in functional and structural characterization of constituent biomolecules. A technique that has shown considerable promise in the domain of modularity detection is the Newman and Girvan (NG) algorithm, which relies on the number of shortest-paths across pairs of vertices in the network traversing a given edge, referred to as the betweenness of that edge. The edge with the highest betweenness is iteratively eliminated from the network, with the betweenness of the remaining edges recalculated in every iteration. This generates a complete dendrogram, from which modules are extracted by applying a quality metric called modularity denoted by Q. This exhaustive computation can be prohibitively expensive for large networks such as Protein-Protein Interaction Networks. In this paper, we present a novel optimization to the modularity detection algorithm, in terms of an efficient termination criterion based on a target edge betweenness value, using which the process of iterative edge removal may be terminated. Results: We validate the robustness of our approach by applying our algorithm on real-world protein-protein interaction networks of Yeast, *** and Drosophila, and demonstrate that our algorithm consistently has significant computational gains in terms of reduced runtime, when compared to the NG algorithm. Furthermore, our algorithm produces modules comparable to those from the NG algorithm, qualitatively and quantitatively. We illustrate this using comparison metrics such as module distribution, module membership cardinality, modularity Q, and Jaccard Similarity Coefficient. Conclusions: We have presented an optimized approach for efficient modularity detection in networks. The intuition driving our approach is the extraction of holistic measures of centrality from graphs, which are representative of inherent modular structure of the underlying network, and the applic

关键词： Biological Network Jaccard Index Input Network High Betweenness Jaccard Similarity Coefficient

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Prediction of mitochondrial proteins of malaria parasite using improved hybrid method and reduced amino acid alphabet

Prediction of mitochondrial proteins of malaria parasite usi...

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2011 4th International Conference on Biomedical Engineering and Informatics, BMEI 2011

作者： Chen, Ying-Li Li, Qian-Zhong Zhang, Li-Qing Laboratory of Theoretical Biophysics School of Physical Science and Technology Inner Mongolia University Hohhot China Department of Computer Science Virginia Tech Blacksburg VA United States Program in Genetics Bioinformatics and Computational Biology Virginia Tech Blacksburg VA United States

ISBN: (纸本)9781424493524

The rate of human death and morbidity due to malaria is increasing in many parts of the developing countries. Thus, there is a great need to understand the critical pathways in malaria parasite in order to develop effective drugs and vaccines. In this work, based on the measure of diversity definition, we introduce the increment of diversity fusion (IDF), an improved hybrid method to predict mitochondrial proteins of malaria parasite. We conduct our experiment on an expanded protein dataset where we require the pairwise identity between two proteins is less than 25%. By choosing amino acids composition as the only input vector, we are able to achieve 65.4% accuracy with 0.32 Mathew's correlation coefficient (MCC) for the jackknife test. Further, incorporting the compositions of the N-terminal and C-terminal regions into the input vector, we show that the prediction results are improved to 82.0% accuracy with 0.64 MCC in the jackknife test. In addition, by combining with the several reduced amino acid alphabet and the hydropathy distribution along protein sequence, we achieve maximum 83.4% accuracy with 0.67 MCC in the jackknife test by using the 64 dipeptide compositions of the reduced amino acid alphabet obtained from Protein Blocks method. © 2011 IEEE.

关键词： Proteins

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Manifold learning-based methods for analyzing single-cell RNA-sequencing data

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Current Opinion in Systems biology 2018年 7卷 36-46页

作者： Moon, Kevin R. Stanley, Jay S. Burkhardt, Daniel van Dijk, David Wolf, Guy Krishnaswamy, Smita Department of Genetics Yale University New Haven CT United States Applied Mathematics Program Yale University New Haven CT United States Computational Biology and Bioinformatics Program Yale University New Haven CT United States Department of Computer Science Yale University New Haven CT United States

Recent advances in single-cell RNA sequencing technologies enable deep insights into cellular development, gene regulation, and phenotypic diversity by measuring gene expression for thousands of cells in a single experiment. While these technologies hold great potential for improving our understanding of cellular states and progression, they also pose new challenges and require advanced mathematical and algorithmic tools to extract underlying biological signals. In this review, we cover one of the most promising avenues of research into unlocking the potential of scRNA-seq data: the field of manifold learning, and the related manifold assumption in data analysis. Manifold learning provides a powerful structure for algorithmic approaches to process the data, extract its dynamics, and infer patterns in it. In particular, we cover manifold learning-based methods for denoising the data, revealing gene interactions, extracting pseudotime progressions with model fitting, visualizing the cellular state space via dimensionality reduction, and clustering the data. © 2017 Published by Elsevier Ltd.

关键词： Data mining Gene regulatory networks Imputation Manifold learning Pseudotime trends Single cell RNA sequencing

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