BioWorkbench: a high-performance framework for managing and analyzing bioinformatics experiments

Author:

Mondelli Maria Luiza1,Magalhães Thiago1,Loss Guilherme1,Wilde Michael2,Foster Ian2ORCID,Mattoso Marta3,Katz Daniel4ORCID,Barbosa Helio15,de Vasconcelos Ana Tereza R.1ORCID,Ocaña Kary1,Gadelha Luiz M.R.1ORCID

Affiliation:

1. National Laboratory for Scientific Computing, Petrópolis, Rio de Janeiro, Brazil

2. Computation Institute, Argonne National Laboratory/University of Chicago, Chicago, IL, USA

3. Computer and Systems Engineering Program, COPPE, Federal University of Rio de Janeiro, Rio de Janeiro, Rio de Janeiro, Brazil

4. National Center for Supercomputing Applications, University of Illinois, Urbana, IL, USA

5. Federal University of Juiz de Fora, Juiz de Fora, Minas Gerais, Brazil

Abstract

Advances in sequencing techniques have led to exponential growth in biological data, demanding the development of large-scale bioinformatics experiments. Because these experiments are computation- and data-intensive, they require high-performance computing techniques and can benefit from specialized technologies such as Scientific Workflow Management Systems and databases. In this work, we present BioWorkbench, a framework for managing and analyzing bioinformatics experiments. This framework automatically collects provenance data, including both performance data from workflow execution and data from the scientific domain of the workflow application. Provenance data can be analyzed through a web application that abstracts a set of queries to the provenance database, simplifying access to provenance information. We evaluate BioWorkbench using three case studies: SwiftPhylo, a phylogenetic tree assembly workflow; SwiftGECKO, a comparative genomics workflow; and RASflow, a RASopathy analysis workflow. We analyze each workflow from both computational and scientific domain perspectives, by using queries to a provenance and annotation database. Some of these queries are available as a pre-built feature of the BioWorkbench web application. Through the provenance data, we show that the framework is scalable and achieves high-performance, reducing up to 98% of the case studies execution time. We also show how the application of machine learning techniques can enrich the analysis process.

Funder

Brazilian funding agencies CNPq, CAPES, and FAPERJ

Publisher

PeerJ

Subject

General Agricultural and Biological Sciences,General Biochemistry, Genetics and Molecular Biology,General Medicine,General Neuroscience

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