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

High performance computing in the cloud

In recent years, the interest in both scientific and business workflows has increased. A workflow is composed of a series of tools, which should be executed in a predefined order to perform an analysis. Traditionally, these workflows were executed in a manual way, sending the output of one tool to the next one in the analysis process. Many applications to execute workflows automatically, appeared recently. These applications ease the work of the users while executing their analyses. In addition, from the computational point of view, some workflows require a significant amount of resources. Consequently, workflow execution moved from single workstations to distributed environments such as Grids or Clouds. Data management and tasks scheduling are required to execute workflows in an efficient way in such environments. In this thesis, we propose a cloud-based HPC environment, focusing on tasks scheduling, resources auto-scaling, data management and simplifying the access to the resources with software clients. First, the cloud computing infrastructure is devised, which includes the base software (i.e. OpenStack) plus several additional modules aimed at improving authentication (i.e. LDAP) and data management (i.e. GridFTP, Globus Online and CloudFuse). Second, built on top of the mentioned infrastructure, the TORQUE distributed resources manager and the Maui scheduler have been configured to schedule and distribute tasks to the cloud-based workers. To reduce the number of idle nodes and the incurred cost of the active cloud resources, we also propose a configurable auto-scaling technique, which is able to scale the execution cluster depending on the workload. Additionally, in order to simplify tasks submission to the TORQUE execution cluster, we have interconnected the Galaxy workflows management system with it, therefore users benefit from a simple way to execute their tasks. Finally, we conducted an experimental evaluation, composed by a number of different studies with synthetic and real-world applications, to show the behaviour of the auto-scaled execution cluster managed by TORQUE and Maui. All experiments have been performed by using an OpenStack cloud computing environment and the benchmarked applications correspond to the benchmarking suite, which is specially designed for workflows scheduling in the cloud computing environment. Cybershake, Ligo and Montage have been the selected synthetic applications from the benchmarking suite. GECKO and a GWAS pipeline represent the real-world test use cases, both having a diverse and heterogeneous set of tasks.The numerous technological advances in data acquisition techniques allow the massive production of enormous amounts of data in diverse fields such as astronomy, health and social networks. Nowadays, only a small part of this data can be analysed because of the lack of computational resources. High Performance Computing (HPC) strategies represent the single choice to analyse such overwhelming amount of data. However, in general, HPC techniques require the use of big and expensive computing and storage infrastructures, usually not affordable or available for most users. Cloud computing, where users pay for the resources they need and when they actually need them, appears as an interesting alternative. Besides the savings in hardware infrastructure, cloud computing offers further advantages such as the removal of installation, administration and supplying requirements. In addition, it enables users to use better hardware than the one they can usually afford, scale the resources depending on their needs, and a greater fault-tolerance, amongst others. The efficient utilisation of HPC resources becomes a fundamental task, particularly in cloud computing. We need to consider the cost of using HPC resources, specially in the case of cloud-based infrastructures, where users have to pay for storing, transferring and analysing data. Therefore, it is really important the usage of generic tasks scheduling and auto-scaling techniques to efficiently exploit the computational resources. It is equally important to make these tasks user-friendly through the development of tools/applications (software clients), which act as interface between the user and the infrastructure

3rd EGEE User Forum

We have organized this book in a sequence of chapters, each chapter associated with an application or technical theme introduced by an overview of the contents, and a summary of the main conclusions coming from the Forum for the chapter topic. The first chapter gathers all the plenary session keynote addresses, and following this there is a sequence of chapters covering the application flavoured sessions. These are followed by chapters with the flavour of Computer Science and Grid Technology. The final chapter covers the important number of practical demonstrations and posters exhibited at the Forum. Much of the work presented has a direct link to specific areas of Science, and so we have created a Science Index, presented below. In addition, at the end of this book, we provide a complete list of the institutes and countries involved in the User Forum

A Scientific Workflow System For Genomic Data Analysis

Scientific workflows have become increasingly popular as a new computing paradigm for scientists to design and execute complex and distributed scientific processes to enable and accelerate many scientific discoveries. Although several scientific workflow management systems (SWFMSs) have been developed, there is a great need for an integrated scientific workflow system that enables the design and execution of higher-level scientific workflows, which integrate heterogeneous scientific workflows enacted by existing SWFMSs. On one hand, science is becoming increasingly collaborative today, requiring an integrated solution that combines the features and capabilities of different SWFMSs, which are typically developed and optimized towards one single discipline. One the other hand, such an integrated environment can immediately leverage existing and emerging techniques and strengths of various SWFMSs and their supported execution environments, such as Cluster, Grid, and Cloud. The main contributions of this dissertation are: 1) We propose a scientific workflow system, called GENOMEFLOW, to design, develop, and execute higher-level scientific workflows, whose workflow tasks are themselves scientific workflows enacted by existing SWFMSs; 2) We propose a workflow scheduling algorithm, called GSA, to enable the parallel execution of such heterogeneous scientific workflows in their native heterogeneous environments; and 3) We implemented GENOMEFLOW towards the life science community and developed several GENOMEFLOW scientific workflows to demonstrate the capabilities of our system for genome data analysis applications

Towards a Reference Architecture with Modular Design for Large-scale Genotyping and Phenotyping Data Analysis: A Case Study with Image Data

With the rapid advancement of computing technologies, various scientific research communities have been extensively using cloud-based software tools or applications. Cloud-based applications allow users to access software applications from web browsers while relieving them from the installation of any software applications in their desktop environment. For example, Galaxy, GenAP, and iPlant Colaborative are popular cloud-based systems for scientific workflow analysis in the domain of plant Genotyping and Phenotyping. These systems are being used for conducting research, devising new techniques, and sharing the computer assisted analysis results among collaborators. Researchers need to integrate their new workflows/pipelines, tools or techniques with the base system over time. Moreover, large scale data need to be processed within the time-line for more effective analysis. Recently, Big Data technologies are emerging for facilitating large scale data processing with commodity hardware. Among the above-mentioned systems, GenAp is utilizing the Big Data technologies for specific cases only. The structure of such a cloud-based system is highly variable and complex in nature. Software architects and developers need to consider totally different properties and challenges during the development and maintenance phases compared to the traditional business/service oriented systems. Recent studies report that software engineers and data engineers confront challenges to develop analytic tools for supporting large scale and heterogeneous data analysis. Unfortunately, less focus has been given by the software researchers to devise a well-defined methodology and frameworks for flexible design of a cloud system for the Genotyping and Phenotyping domain. To that end, more effective design methodologies and frameworks are an urgent need for cloud based Genotyping and Phenotyping analysis system development that also supports large scale data processing. In our thesis, we conduct a few studies in order to devise a stable reference architecture and modularity model for the software developers and data engineers in the domain of Genotyping and Phenotyping. In the first study, we analyze the architectural changes of existing candidate systems to find out the stability issues. Then, we extract architectural patterns of the candidate systems and propose a conceptual reference architectural model. Finally, we present a case study on the modularity of computation-intensive tasks as an extension of the data-centric development. We show that the data-centric modularity model is at the core of the flexible development of a Genotyping and Phenotyping analysis system. Our proposed model and case study with thousands of images provide a useful knowledge-base for software researchers, developers, and data engineers for cloud based Genotyping and Phenotyping analysis system development

Trusted resource allocation in volunteer edge-cloud computing for scientific applications

Data-intensive science applications in fields such as e.g., bioinformatics, health sciences, and material discovery are becoming increasingly dynamic and demanding with resource requirements. Researchers using these applications which are based on advanced scientific workflows frequently require a diverse set of resources that are often not available within private servers or a single Cloud Service Provider (CSP). For example, a user working with Precision Medicine applications would prefer only those CSPs who follow guidelines from HIPAA (Health Insurance Portability and Accountability Act) for implementing their data services and might want services from other CSPs for economic viability. With the generation of more and more data these workflows often require deployment and dynamic scaling of multi-cloud resources in an efficient and high-performance manner (e.g., quick setup, reduced computation time, and increased application throughput). At the same time, users seek to minimize the costs of configuring the related multi-cloud resources. While performance and cost are among the key factors to decide upon CSP resource selection, the scientific workflows often process proprietary/confidential data that introduces additional constraints of security postures. Thus, users have to make an informed decision on the selection of resources that are most suited for their applications while trading off between the key factors of resource selection which are performance, agility, cost, and security (PACS). Furthermore, even with the most efficient resource allocation across multi-cloud, the cost to solution might not be economical for all users which have led to the development of new paradigms of computing such as volunteer computing where users utilize volunteered cyber resources to meet their computing requirements. For economical and readily available resources, it is essential that such volunteered resources can integrate well with cloud resources for providing the most efficient computing infrastructure for users. In this dissertation, individual stages such as user requirement collection, user's resource preferences, resource brokering and task scheduling, in lifecycle of resource brokering for users are tackled. For collection of user requirements, a novel approach through an iterative design interface is proposed. In addition, fuzzy interference-based approach is proposed to capture users' biases and expertise for guiding their resource selection for their applications. The results showed improvement in performance i.e. time to execute in 98 percent of the studied applications. The data collected on user's requirements and preferences is later used by optimizer engine and machine learning algorithms for resource brokering. For resource brokering, a new integer linear programming based solution (OnTimeURB) is proposed which creates multi-cloud template solutions for resource allocation while also optimizing performance, agility, cost, and security. The solution was further improved by the addition of a machine learning model based on naive bayes classifier which captures the true QoS of cloud resources for guiding template solution creation. The proposed solution was able to improve the time to execute for as much as 96 percent of the largest applications. As discussed above, to fulfill necessity of economical computing resources, a new paradigm of computing viz-a-viz Volunteer Edge Computing (VEC) is proposed which reduces cost and improves performance and security by creating edge clusters comprising of volunteered computing resources close to users. The initial results have shown improved time of execution for application workflows against state-of-the-art solutions while utilizing only the most secure VEC resources. Consequently, we have utilized reinforcement learning based solutions to characterize volunteered resources for their availability and flexibility towards implementation of security policies. The characterization of volunteered resources facilitates efficient allocation of resources and scheduling of workflows tasks which improves performance and throughput of workflow executions. VEC architecture is further validated with state-of-the-art bioinformatics workflows and manufacturing workflows.Includes bibliographical references