Special issue on data management, analysis, and mining for the life sciences

Peer Reviewedhttp://deepblue.lib.umich.edu/bitstream/2027.42/47870/1/778_2005_Article_165.pd

Perspectives on automated composition of workflows in the life sciences [version 1; peer review: 2 approved]

Scientific data analyses often combine several computational tools in automated pipelines, or workflows. Thousands of such workflows have been used in the life sciences, though their composition has remained a cumbersome manual process due to a lack of standards for annotation, assembly, and implementation. Recent technological advances have returned the long-standing vision of automated workflow composition into focus. This article summarizes a recent Lorentz Center workshop dedicated to automated composition of workflows in the life sciences. We survey previous initiatives to automate the composition process, and discuss the current state of the art and future perspectives. We start by drawing the “big picture” of the scientific workflow development life cycle, before surveying and discussing current methods, technologies and practices for semantic domain modelling, automation in workflow development, and workflow assessment. Finally, we derive a roadmap of individual and community-based actions to work toward the vision of automated workflow development in the forthcoming years. A central outcome of the workshop is a general description of the workflow life cycle in six stages: 1) scientific question or hypothesis, 2) conceptual workflow, 3) abstract workflow, 4) concrete workflow, 5) production workflow, and 6) scientific results. The transitions between stages are facilitated by diverse tools and methods, usually incorporating domain knowledge in some form. Formal semantic domain modelling is hard and often a bottleneck for the application of semantic technologies. However, life science communities have made considerable progress here in recent years and are continuously improving, renewing interest in the application of semantic technologies for workflow exploration, composition and instantiation. Combined with systematic benchmarking with reference data and large-scale deployment of production-stage workflows, such technologies enable a more systematic process of workflow development than we know today. We believe that this can lead to more robust, reusable, and sustainable workflows in the future.Stian Soiland-Reyes was supported by BioExcel-2 Centre of Excellence, funded by European Commission Horizon 2020 programme under European Commission contract H2020-INFRAEDI-02-2018 823830. Carole Goble was supported by EOSC-Life, funded by European Commission Horizon 2020 programme under grant agreement H2020-INFRAEOSC-2018-2 824087. We gratefully acknowledge the financial support from the Lorentz Center, ELIXIR, and the Leiden University Medical Center (LUMC) that made the workshop possible. The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscriptPeer Reviewed"Article signat per 33 autors/es: Anna-Lena Lamprecht , Magnus Palmblad, Jon Ison, Veit Schwämmle , Mohammad Sadnan Al Manir, Ilkay Altintas, Christopher J. O. Baker, Ammar Ben Hadj Amor, Salvador Capella-Gutierrez, Paulos Charonyktakis, Michael R. Crusoe, Yolanda Gil, Carole Goble, Timothy J. Griffin , Paul Groth , Hans Ienasescu, Pratik Jagtap, Matúš Kalaš , Vedran Kasalica, Alireza Khanteymoori , Tobias Kuhn12, Hailiang Mei, Hervé Ménager, Steffen Möller, Robin A. Richardson, Vincent Robert9, Stian Soiland-Reyes, Robert Stevens, Szoke Szaniszlo, Suzan Verberne, Aswin Verhoeven, Katherine Wolstencroft "Postprint (published version

An evaluation of galaxy and ruffus-scripting workflows system for DNA-seq analysis

>Magister Scientiae - MScFunctional genomics determines the biological functions of genes on a global scale by using large volumes of data obtained through techniques including next-generation sequencing (NGS). The application of NGS in biomedical research is gaining in momentum, and with its adoption becoming more widespread, there is an increasing need for access to customizable computational workflows that can simplify, and offer access to, computer intensive analyses of genomic data. In this study, the Galaxy and Ruffus frameworks were designed and implemented with a view to address the challenges faced in biomedical research. Galaxy, a graphical web-based framework, allows researchers to build a graphical NGS data analysis pipeline for accessible, reproducible, and collaborative data-sharing. Ruffus, a UNIX command-line framework used by bioinformaticians as Python library to write scripts in object-oriented style, allows for building a workflow in terms of task dependencies and execution logic. In this study, a dual data analysis technique was explored which focuses on a comparative evaluation of Galaxy and Ruffus frameworks that are used in composing analysis pipelines. To this end, we developed an analysis pipeline in Galaxy, and Ruffus, for the analysis of Mycobacterium tuberculosis sequence data. Furthermore, this study aimed to compare the Galaxy framework to Ruffus with preliminary analysis revealing that the analysis pipeline in Galaxy displayed a higher percentage of load and store instructions. In comparison, pipelines in Ruffus tended to be CPU bound and memory intensive. The CPU usage, memory utilization, and runtime execution are graphically represented in this study. Our evaluation suggests that workflow frameworks have distinctly different features from ease of use, flexibility, and portability, to architectural designs

BSML: A Binding Schema Markup Language for Data Interchange in Problem Solving Environments (PSEs)

We describe a binding schema markup language (BSML) for describing data interchange between scientific codes. Such a facility is an important constituent of scientific problem solving environments (PSEs). BSML is designed to integrate with a PSE or application composition system that views model specification and execution as a problem of managing semistructured data. The data interchange problem is addressed by three techniques for processing semistructured data: validation, binding, and conversion. We present BSML and describe its application to a PSE for wireless communications system design

Interoperability With Moby 1.0 - It's Better Than Sharing Your Toothbrush!

The BioMoby project was initiated in 2001 from within the model organism database community. It aimed to standardize methodologies to facilitate information exchange and access to analytical resources, using a consensus driven approach. Six years later, the BioMoby development community is pleased to announce the release of the 1.0 version of the interoperability framework, registry API, and supporting Perl and Java code-bases. Together, these provide interoperable access to over 1400 bioinformatics resources worldwide through the BioMoby platform, and this number continues to grow. Here we highlight and discuss the features of BioMoby that make it distinct from other Semantic Web Service and interoperability initiatives, and that have been instrumental to its deployment and use by a wide community of bioinformatics service providers. The standard, client software, and supporting code libraries are all freely available at http://www.biomoby.org

Data-Intensive architecture for scientific knowledge discovery

This paper presents a data-intensive architecture that demonstrates the ability to support applications from a wide range of application domains, and support the different types of users involved in defining, designing and executing data-intensive processing tasks. The prototype architecture is introduced, and the pivotal role of DISPEL as a canonical language is explained. The architecture promotes the exploration and exploitation of distributed and heterogeneous data and spans the complete knowledge discovery process, from data preparation, to analysis, to evaluation and reiteration. The architecture evaluation included large-scale applications from astronomy, cosmology, hydrology, functional genetics, imaging processing and seismology