Bringing Folding Pathways Into Strand Pairing Prediction
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Algorithms for Computational Biology 8Th International Conference, Alcob 2021 Missoula, MT, USA, June 7–11, 2021 Proceedings
Lecture Notes in Bioinformatics 12715 Subseries of Lecture Notes in Computer Science Series Editors Sorin Istrail Brown University, Providence, RI, USA Pavel Pevzner University of California, San Diego, CA, USA Michael Waterman University of Southern California, Los Angeles, CA, USA Editorial Board Members Søren Brunak Technical University of Denmark, Kongens Lyngby, Denmark Mikhail S. Gelfand IITP, Research and Training Center on Bioinformatics, Moscow, Russia Thomas Lengauer Max Planck Institute for Informatics, Saarbrücken, Germany Satoru Miyano University of Tokyo, Tokyo, Japan Eugene Myers Max Planck Institute of Molecular Cell Biology and Genetics, Dresden, Germany Marie-France Sagot Université Lyon 1, Villeurbanne, France David Sankoff University of Ottawa, Ottawa, Canada Ron Shamir Tel Aviv University, Ramat Aviv, Tel Aviv, Israel Terry Speed Walter and Eliza Hall Institute of Medical Research, Melbourne, VIC, Australia Martin Vingron Max Planck Institute for Molecular Genetics, Berlin, Germany W. Eric Wong University of Texas at Dallas, Richardson, TX, USA More information about this subseries at http://www.springer.com/series/5381 Carlos Martín-Vide • Miguel A. Vega-Rodríguez • Travis Wheeler (Eds.) Algorithms for Computational Biology 8th International Conference, AlCoB 2021 Missoula, MT, USA, June 7–11, 2021 Proceedings 123 Editors Carlos Martín-Vide Miguel A. Vega-Rodríguez Rovira i Virgili University University of Extremadura Tarragona, Spain Cáceres, Spain Travis Wheeler University of Montana Missoula, MT, USA ISSN 0302-9743 ISSN 1611-3349 (electronic) Lecture Notes in Bioinformatics ISBN 978-3-030-74431-1 ISBN 978-3-030-74432-8 (eBook) https://doi.org/10.1007/978-3-030-74432-8 LNCS Sublibrary: SL8 – Bioinformatics © Springer Nature Switzerland AG 2021 This work is subject to copyright. -
Computational Pan-Genomics: Status, Promises and Challenges
bioRxiv preprint doi: https://doi.org/10.1101/043430; this version posted March 12, 2016. The copyright holder for this preprint (which was not certified by peer review) is the author/funder. All rights reserved. No reuse allowed without permission. Computational Pan-Genomics: Status, Promises and Challenges Tobias Marschall1,2, Manja Marz3,60,61,62, Thomas Abeel49, Louis Dijkstra6,7, Bas E. Dutilh8,9,10, Ali Ghaffaari1,2, Paul Kersey11, Wigard P. Kloosterman12, Veli M¨akinen13, Adam Novak15, Benedict Paten15, David Porubsky16, Eric Rivals17,63, Can Alkan18, Jasmijn Baaijens5, Paul I. W. De Bakker12, Valentina Boeva19,64,65,66, Francesca Chiaromonte20, Rayan Chikhi21, Francesca D. Ciccarelli22, Robin Cijvat23, Erwin Datema24,25,26, Cornelia M. Van Duijn27, Evan E. Eichler28, Corinna Ernst29, Eleazar Eskin30,31, Erik Garrison32, Mohammed El-Kebir5,33,34, Gunnar W. Klau5, Jan O. Korbel11,35, Eric-Wubbo Lameijer36, Benjamin Langmead37, Marcel Martin59, Paul Medvedev38,39,40, John C. Mu41, Pieter Neerincx36, Klaasjan Ouwens42,67, Pierre Peterlongo43, Nadia Pisanti44,45, Sven Rahmann29, Ben Raphael46,47, Knut Reinert48, Dick de Ridder50, Jeroen de Ridder49, Matthias Schlesner51, Ole Schulz-Trieglaff52, Ashley Sanders53, Siavash Sheikhizadeh50, Carl Shneider54, Sandra Smit50, Daniel Valenzuela13, Jiayin Wang70,71,72, Lodewyk Wessels56, Ying Zhang23,5, Victor Guryev16,12, Fabio Vandin57,34, Kai Ye68,69,72 and Alexander Sch¨onhuth5 1Center for Bioinformatics, Saarland University, Saarbr¨ucken, Germany; 2Max Planck Institute for Informatics, Saarbr¨ucken, -
The Principled Design of Large-Scale Recursive Neural Network Architectures–DAG-Rnns and the Protein Structure Prediction Problem
Journal of Machine Learning Research 4 (2003) 575-602 Submitted 2/02; Revised 4/03; Published 9/03 The Principled Design of Large-Scale Recursive Neural Network Architectures–DAG-RNNs and the Protein Structure Prediction Problem Pierre Baldi [email protected] Gianluca Pollastri [email protected] School of Information and Computer Science Institute for Genomics and Bioinformatics University of California, Irvine Irvine, CA 92697-3425, USA Editor: Michael I. Jordan Abstract We describe a general methodology for the design of large-scale recursive neural network architec- tures (DAG-RNNs) which comprises three fundamental steps: (1) representation of a given domain using suitable directed acyclic graphs (DAGs) to connect visible and hidden node variables; (2) parameterization of the relationship between each variable and its parent variables by feedforward neural networks; and (3) application of weight-sharing within appropriate subsets of DAG connec- tions to capture stationarity and control model complexity. Here we use these principles to derive several specific classes of DAG-RNN architectures based on lattices, trees, and other structured graphs. These architectures can process a wide range of data structures with variable sizes and dimensions. While the overall resulting models remain probabilistic, the internal deterministic dy- namics allows efficient propagation of information, as well as training by gradient descent, in order to tackle large-scale problems. These methods are used here to derive state-of-the-art predictors for protein structural features such as secondary structure (1D) and both fine- and coarse-grained contact maps (2D). Extensions, relationships to graphical models, and implications for the design of neural architectures are briefly discussed. -
120421-24Recombschedule FINAL.Xlsx
Friday 20 April 18:00 20:00 REGISTRATION OPENS in Fira Palace 20:00 21:30 WELCOME RECEPTION in CaixaForum (access map) Saturday 21 April 8:00 8:50 REGISTRATION 8:50 9:00 Opening Remarks (Roderic GUIGÓ and Benny CHOR) Session 1. Chair: Roderic GUIGÓ (CRG, Barcelona ES) 9:00 10:00 Richard DURBIN The Wellcome Trust Sanger Institute, Hinxton UK "Computational analysis of population genome sequencing data" 10:00 10:20 44 Yaw-Ling Lin, Charles Ward and Steven Skiena Synthetic Sequence Design for Signal Location Search 10:20 10:40 62 Kai Song, Jie Ren, Zhiyuan Zhai, Xuemei Liu, Minghua Deng and Fengzhu Sun Alignment-Free Sequence Comparison Based on Next Generation Sequencing Reads 10:40 11:00 178 Yang Li, Hong-Mei Li, Paul Burns, Mark Borodovsky, Gene Robinson and Jian Ma TrueSight: Self-training Algorithm for Splice Junction Detection using RNA-seq 11:00 11:30 coffee break Session 2. Chair: Bonnie BERGER (MIT, Cambrige US) 11:30 11:50 139 Son Pham, Dmitry Antipov, Alexander Sirotkin, Glenn Tesler, Pavel Pevzner and Max Alekseyev PATH-SETS: A Novel Approach for Comprehensive Utilization of Mate-Pairs in Genome Assembly 11:50 12:10 171 Yan Huang, Yin Hu and Jinze Liu A Robust Method for Transcript Quantification with RNA-seq Data 12:10 12:30 120 Zhanyong Wang, Farhad Hormozdiari, Wen-Yun Yang, Eran Halperin and Eleazar Eskin CNVeM: Copy Number Variation detection Using Uncertainty of Read Mapping 12:30 12:50 205 Dmitri Pervouchine Evidence for widespread association of mammalian splicing and conserved long range RNA structures 12:50 13:10 169 Melissa Gymrek, David Golan, Saharon Rosset and Yaniv Erlich lobSTR: A Novel Pipeline for Short Tandem Repeats Profiling in Personal Genomes 13:10 13:30 217 Rory Stark Differential oestrogen receptor binding is associated with clinical outcome in breast cancer 13:30 15:00 lunch break Session 3. -
Methodology for Predicting Semantic Annotations of Protein Sequences by Feature Extraction Derived of Statistical Contact Potentials and Continuous Wavelet Transform
Universidad Nacional de Colombia Sede Manizales Master’s Thesis Methodology for predicting semantic annotations of protein sequences by feature extraction derived of statistical contact potentials and continuous wavelet transform Author: Supervisor: Gustavo Alonso Arango Dr. Cesar German Argoty Castellanos Dominguez A thesis submitted in fulfillment of the requirements for the degree of Master’s on Engineering - Industrial Automation in the Department of Electronic, Electric Engineering and Computation Signal Processing and Recognition Group June 2014 Universidad Nacional de Colombia Sede Manizales Tesis de Maestr´ıa Metodolog´ıapara predecir la anotaci´on sem´antica de prote´ınaspor medio de extracci´on de caracter´ısticas derivadas de potenciales de contacto y transformada wavelet continua Autor: Tutor: Gustavo Alonso Arango Dr. Cesar German Argoty Castellanos Dominguez Tesis presentada en cumplimiento a los requerimientos necesarios para obtener el grado de Maestr´ıaen Ingenier´ıaen Automatizaci´onIndustrial en el Departamento de Ingenier´ıaEl´ectrica,Electr´onicay Computaci´on Grupo de Procesamiento Digital de Senales Enero 2014 UNIVERSIDAD NACIONAL DE COLOMBIA Abstract Faculty of Engineering and Architecture Department of Electronic, Electric Engineering and Computation Master’s on Engineering - Industrial Automation Methodology for predicting semantic annotations of protein sequences by feature extraction derived of statistical contact potentials and continuous wavelet transform by Gustavo Alonso Arango Argoty In this thesis, a method to predict semantic annotations of the proteins from its primary structure is proposed. The main contribution of this thesis lies in the implementation of a novel protein feature representation, which makes use of the pairwise statistical contact potentials describing the protein interactions and geometry at the atomic level. -
BIOGRAPHICAL SKETCH NAME: Berger
BIOGRAPHICAL SKETCH NAME: Berger, Bonnie eRA COMMONS USER NAME (credential, e.g., agency login): BABERGER POSITION TITLE: Simons Professor of Mathematics and Professor of Electrical Engineering and Computer Science EDUCATION/TRAINING (Begin with baccalaureate or other initial professional education, such as nursing, include postdoctoral training and residency training if applicable. Add/delete rows as necessary.) EDUCATION/TRAINING DEGREE Completion (if Date FIELD OF STUDY INSTITUTION AND LOCATION applicable) MM/YYYY Brandeis University, Waltham, MA AB 06/1983 Computer Science Massachusetts Institute of Technology SM 01/1986 Computer Science Massachusetts Institute of Technology Ph.D. 06/1990 Computer Science Massachusetts Institute of Technology Postdoc 06/1992 Applied Mathematics A. Personal Statement Advances in modern biology revolve around automated data collection and sharing of the large resulting datasets. I am considered a pioneer in the area of bringing computer algorithms to the study of biological data, and a founder in this community that I have witnessed grow so profoundly over the last 26 years. I have made major contributions to many areas of computational biology and biomedicine, largely, though not exclusively through algorithmic innovations, as demonstrated by nearly twenty thousand citations to my scientific papers and widely-used software. In recognition of my success, I have just been elected to the National Academy of Sciences and in 2019 received the ISCB Senior Scientist Award, the pinnacle award in computational biology. My research group works on diverse challenges, including Computational Genomics, High-throughput Technology Analysis and Design, Biological Networks, Structural Bioinformatics, Population Genetics and Biomedical Privacy. I spearheaded research on analyzing large and complex biological data sets through topological and machine learning approaches; e.g. -
Big Data, Moocs, and ... (PDF)
HHMI Constellation Studios for Science Education November 13-15, 2015 | HHMI Headquarters | Chevy Chase, MD Big Data, MOOCs, and Quantitative Education for Biologists Co-Chairs Pavel Pevzner, University of California- San Diego Sarah Elgin, Washington University Studio Objectives Discuss existing challenges in bioinformatics education with experts in computational biology and quantitative biology education, Evaluate best practices in teaching quantitative and computational biology, and Collaborate with scientist educators to develop instructional modules to support a biology curriculum that includes quantitative approaches. Friday | November 13 4:00 pm Arrival Registration Desk 5:30 – 6:00 pm Reception Great Hall 6:00 – 7:00 pm Dinner Dining Room 7:00 – 7:15 pm Welcome K202 David Asai, HHMI Cynthia Bauerle, HHMI Pavel Pevzner, University of California-San Diego Sarah Elgin, Washington University Alex Hartemink, Duke University 7:15 – 8:00 pm How to Maximize Interaction and Feedback During the Studio K202 Cynthia Bauerle and Sarah Simmons, HHMI 8:00 – 9:00 pm Keynote Presentation K202 "Computing + Biology = Discovery" Speakers: Ran Libeskind-Hadas, Harvey Mudd College Eliot Bush, Harvey Mudd College 9:00 – 11:00 pm Social The Pilot Saturday | November 14 7:30 – 8:15 am Breakfast Dining Room 8:30 – 10:00 am Lecture session 1 K202 Moderator: Pavel Pevzner 834a-854a “How is body fat regulated?” Laurie Heyer, Davidson College 856a-916a “How can we find mutations that cause cancer?” Ben Raphael, Brown University “How does a tumor evolve over time?” 918a-938a Russell Schwartz, Carnegie Mellon University “How fast do ribosomes move?” 940a-1000a Carl Kingsford, Carnegie Mellon University 10:05 – 10:55 am Breakout working groups Rooms: S221, (coffee available in each room) N238, N241, N140 1. -
Deep Learning in Chemoinformatics Using Tensor Flow
UC Irvine UC Irvine Electronic Theses and Dissertations Title Deep Learning in Chemoinformatics using Tensor Flow Permalink https://escholarship.org/uc/item/963505w5 Author Jain, Akshay Publication Date 2017 Peer reviewed|Thesis/dissertation eScholarship.org Powered by the California Digital Library University of California UNIVERSITY OF CALIFORNIA, IRVINE Deep Learning in Chemoinformatics using Tensor Flow THESIS submitted in partial satisfaction of the requirements for the degree of MASTER OF SCIENCE in Computer Science by Akshay Jain Thesis Committee: Professor Pierre Baldi, Chair Professor Cristina Videira Lopes Professor Eric Mjolsness 2017 c 2017 Akshay Jain DEDICATION To my family and friends. ii TABLE OF CONTENTS Page LIST OF FIGURES v LIST OF TABLES vi ACKNOWLEDGMENTS vii ABSTRACT OF THE THESIS viii 1 Introduction 1 1.1 QSAR Prediction Methods . .2 1.2 Deep Learning . .4 2 Artificial Neural Networks(ANN) 5 2.1 Artificial Neuron . .5 2.2 Activation Function . .7 2.3 Loss function . .8 2.4 Optimization . .8 3 Deep Recursive Architectures 10 3.1 Recurrent Neural Networks (RNN) . 10 3.2 Recursive Neural Networks . 11 3.3 Directed Acyclic Graph Recursive Neural Networks (DAG-RNN) . 11 4 UG-RNN for small molecules 14 4.1 DAG Generation . 16 4.2 Local Information Vector . 16 4.3 Contextual Vectors . 17 4.4 Activity Prediction . 17 4.5 UG-RNN With Contracted Rings (UG-RNN-CR) . 18 4.6 Example: UG-RNN Model of Propionic Acid . 20 5 Implementation 24 6 Data & Results 26 6.1 Aqueous Solubility Prediction . 26 6.2 Melting Point Prediction . 28 iii 7 Conclusions 30 Bibliography 32 A Source Code 37 A.1 UGRNN . -
Computational Biology and Bioinformatics
Vol. 30 ISMB 2014, pages i1–i2 BIOINFORMATICS EDITORIAL doi:10.1093/bioinformatics/btu304 Editorial This special issue of Bioinformatics serves as the proceedings of The conference used a two-tier review system, a continuation the 22nd annual meeting of Intelligent Systems for Molecular and refinement of a process begun with ISMB 2013 in an effort Biology (ISMB), which took place in Boston, MA, July 11–15, to better ensure thorough and fair reviewing. Under the revised 2014 (http://www.iscb.org/ismbeccb2014). The official confer- process, each of the 191 submissions was first reviewed by at least ence of the International Society for Computational Biology three expert referees, with a subset receiving between four and (http://www.iscb.org/), ISMB, was accompanied by 12 Special eight reviews, as needed. These formal reviews were frequently Interest Group meetings of one or two days each, two satellite supplemented by online discussion among reviewers and Area meetings, a High School Teachers Workshop and two half-day Chairs to resolve points of dispute and reach a consensus on tutorials. Since its inception, ISMB has grown to be the largest each paper. Among the 191 submissions, 29 were conditionally international conference in computational biology and bioinfor- accepted for publication directly from the first round review Downloaded from matics. It is expected to be the premiere forum in the field for based on an assessment of the reviewers that the paper was presenting new research results, disseminating methods and tech- clearly above par for the conference. A subset of 16 papers niques and facilitating discussions among leading researchers, were viewed as potentially in the top tier but raised significant practitioners and students in the field. -
Course Outline
Department of Computer Science and Software Engineering COMP 6811 Bioinformatics Algorithms (Reading Course) Fall 2019 Section AA Instructor: Gregory Butler Curriculum Description COMP 6811 Bioinformatics Algorithms (4 credits) The principal objectives of the course are to cover the major algorithms used in bioinformatics; sequence alignment, multiple sequence alignment, phylogeny; classi- fying patterns in sequences; secondary structure prediction; 3D structure prediction; analysis of gene expression data. This includes dynamic programming, machine learning, simulated annealing, and clustering algorithms. Algorithmic principles will be emphasized. A project is required. Outline of Topics The course will focus on algorithms for protein sequence analysis. It will not cover genome assembly, genome mapping, or gene recognition. • Background in Biology and Genomics • Sequence Alignment: Pairwise and Multiple • Representation of Protein Amino Acid Composition • Profile Hidden Markov Models • Specificity Determining Sites • Curation, Annotation, and Ontologies • Machine Learning: Secondary Structure, Signals, Subcellular Location • Protein Families, Phylogenomics, and Orthologous Groups • Profile-Based Alignments • Algorithms Based on k-mers 1 Texts | in Library D. Higgins and W. Taylor (editors). Bioinformatics: Sequence, Structure and Databanks, Oxford University Press, 2000. A. D. Baxevanis and B. F. F. Ouelette. Bioinformatics: A Practical Guide to the Analysis of Genes and Proteins, Wiley, 1998. Richard Durbin, Sean R. Eddy, Anders Krogh, -
Deep Learning in Science Pierre Baldi Frontmatter More Information
Cambridge University Press 978-1-108-84535-9 — Deep Learning in Science Pierre Baldi Frontmatter More Information Deep Learning in Science This is the first rigorous, self-contained treatment of the theory of deep learning. Starting with the foundations of the theory and building it up, this is essential reading for any scientists, instructors, and students interested in artificial intelligence and deep learning. It provides guidance on how to think about scientific questions, and leads readers through the history of the field and its fundamental connections to neuro- science. The author discusses many applications to beautiful problems in the natural sciences, in physics, chemistry, and biomedicine. Examples include the search for exotic particles and dark matter in experimental physics, the prediction of molecular properties and reaction outcomes in chemistry, and the prediction of protein structures and the diagnostic analysis of biomedical images in the natural sciences. The text is accompanied by a full set of exercises at different difficulty levels and encourages out-of-the-box thinking. Pierre Baldi is Distinguished Professor of Computer Science at University of California, Irvine. His main research interest is understanding intelligence in brains and machines. He has made seminal contributions to the theory of deep learning and its applications to the natural sciences, and has written four other books. © in this web service Cambridge University Press www.cambridge.org Cambridge University Press 978-1-108-84535-9 — Deep Learning in -
An Efficient, Scalable and Exact Representation of High-Dimensional Color Information Enabled Via De Bruijn Graph Search
bioRxiv preprint doi: https://doi.org/10.1101/464222; this version posted November 7, 2018. The copyright holder for this preprint (which was not certified by peer review) is the author/funder, who has granted bioRxiv a license to display the preprint in perpetuity. It is made available under aCC-BY-NC-ND 4.0 International license. An Efficient, Scalable and Exact Representation of High-Dimensional Color Information Enabled via de Bruijn Graph Search Fatemeh Almodaresi1, Prashant Pandey1, Michael Ferdman1, Rob Johnson2;1, and Rob Patro1 1 Computer Science Dept., Stony Brook University ffalmodaresit,ppandey,mferdman,[email protected] 2 VMware Research [email protected] Abstract. a The colored de Bruijn graph (cdbg) and its variants have become an important combinatorial structure used in numerous areas in genomics, such as population-level variation detection in metagenomic samples, large scale sequence search, and cdbg-based reference sequence indices. As samples or genomes are added to the cdbg, the color information comes to dominate the space required to represent this data structure. In this paper, we show how to represent the color information efficiently by adopting a hierarchical encoding that exploits correlations among color classes | patterns of color occurrence | present in the de Bruijn graph (dbg). A major challenge in deriving an efficient encoding of the color information that takes advantage of such correlations is determining which color classes are close to each other in the high-dimensional space of possible color patterns. We demonstrate that the dbg itself can be used as an efficient mechanism to search for approximate nearest neighbors in this space.