Scientific Workflow Repeatability through Cloud-Aware Provenance

The transformations, analyses and interpretations of data in scientific workflows are vital for the repeatability and reliability of scientific workflows. This provenance of scientific workflows has been effectively carried out in Grid based scientific workflow systems. However, recent adoption of Cloud-based scientific workflows present an opportunity to investigate the suitability of existing approaches or propose new approaches to collect provenance information from the Cloud and to utilize it for workflow repeatability in the Cloud infrastructure. The dynamic nature of the Cloud in comparison to the Grid makes it difficult because resources are provisioned on-demand unlike the Grid. This paper presents a novel approach that can assist in mitigating this challenge. This approach can collect Cloud infrastructure information along with workflow provenance and can establish a mapping between them. This mapping is later used to re-provision resources on the Cloud. The repeatability of the workflow execution is performed by: (a) capturing the Cloud infrastructure information (virtual machine configuration) along with the workflow provenance, and (b) re-provisioning the similar resources on the Cloud and re-executing the workflow on them. The evaluation of an initial prototype suggests that the proposed approach is feasible and can be investigated further.Comment: 6 pages; 5 figures; 3 tables in Proceedings of the Recomputability 2014 workshop of the 7th IEEE/ACM International Conference on Utility and Cloud Computing (UCC 2014). London December 201

Reproducibility of scientific workflows execution using cloud-aware provenance (ReCAP)

© 2018, Springer-Verlag GmbH Austria, part of Springer Nature. Provenance of scientific workflows has been considered a mean to provide workflow reproducibility. However, the provenance approaches adopted so far are not applicable in the context of Cloud because the provenance trace lacks the Cloud information. This paper presents a novel approach that collects the Cloud-aware provenance and represents it as a graph. The workflow execution reproducibility on the Cloud is determined by comparing the workflow provenance at three levels i.e., workflow structure, execution infrastructure and workflow outputs. The experimental evaluation shows that the implemented approach can detect changes in the provenance traces and the outputs produced by the workflow

Automatic deployment and reproducibility of workflow on the Cloud using container virtualization

PhD ThesisCloud computing is a service-oriented approach to distributed computing that has many attractive features, including on-demand access to large compute resources. One type of cloud applications are scientific work ows, which are playing an increasingly important role in building applications from heterogeneous components. Work ows are increasingly used in science as a means to capture, share, and publish computational analysis. Clouds can offer a number of benefits to work ow systems, including the dynamic provisioning of the resources needed for computation and storage, which has the potential to dramatically increase the ability to quickly extract new results from the huge amounts of data now being collected. However, there are increasing number of Cloud computing platforms, each with different functionality and interfaces. It therefore becomes increasingly challenging to de ne work ows in a portable way so that they can be run reliably on different clouds. As a consequence, work ow developers face the problem of deciding which Cloud to select and - more importantly for the long-term - how to avoid vendor lock-in. A further issue that has arisen with work ows is that it is common for them to stop being executable a relatively short time after they were created. This can be due to the external resources required to execute a work ow - such as data and services - becoming unavailable. It can also be caused by changes in the execution environment on which the work ow depends, such as changes to a library causing an error when a work ow service is executed. This "work ow decay" issue is recognised as an impediment to the reuse of work ows and the reproducibility of their results. It is becoming a major problem, as the reproducibility of science is increasingly dependent on the reproducibility of scientific work ows. In this thesis we presented new solutions to address these challenges. We propose a new approach to work ow modelling that offers a portable and re-usable description of the work ow using the TOSCA specification language. Our approach addresses portability by allowing work ow components to be systematically specifed and automatically - v - deployed on a range of clouds, or in local computing environments, using container virtualisation techniques. To address the issues of reproducibility and work ow decay, our modelling and deployment approach has also been integrated with source control and container management techniques to create a new framework that e ciently supports dynamic work ow deployment, (re-)execution and reproducibility. To improve deployment performance, we extend the framework with number of new optimisation techniques, and evaluate their effect on a range of real and synthetic work ows.Ministry of Higher Education and Scientific Research in Iraq and Mosul Universit

Scientific workflow execution reproducibility using cloud-aware provenance

Scientific experiments and projects such as CMS and neuGRIDforYou (N4U) are annually producing data of the order of Peta-Bytes. They adopt scientific workflows to analyse this large amount of data in order to extract meaningful information. These workflows are executed over distributed resources, both compute and storage in nature, provided by the Grid and recently by the Cloud. The Cloud is becoming the playing field for scientists as it provides scalability and on-demand resource provisioning. Reproducing a workflow execution to verify results is vital for scientists and have proven to be a challenge. As per a study (Belhajjame et al. 2012) around 80% of workflows cannot be reproduced, and 12% of them are due to the lack of information about the execution environment. The dynamic and on-demand provisioning capability of the Cloud makes this more challenging. To overcome these challenges, this research aims to investigate how to capture the execution provenance of a scientific workflow along with the resources used to execute the workflow in a Cloud infrastructure. This information will then enable a scientist to reproduce workflow-based scientific experiments on the Cloud infrastructure by re-provisioning the similar resources on the Cloud.Provenance has been recognised as information that helps in debugging, verifying and reproducing a scientific workflow execution. Recent adoption of Cloud-based scientific workflows presents an opportunity to investigate the suitability of existing approaches or to propose new approaches to collect provenance information from the Cloud and to utilize it for workflow reproducibility on the Cloud. From literature analysis, it was found that the existing approaches for Grid or Cloud do not provide detailed resource information and also do not present an automatic provenance capturing approach for the Cloud environment. To mitigate the challenges and fulfil the knowledge gap, a provenance based approach, ReCAP, has been proposed in this thesis. In ReCAP, workflow execution reproducibility is achieved by (a) capturing the Cloud-aware provenance (CAP), b) re-provisioning similar resources on the Cloud and re-executing the workflow on them and (c) by comparing the provenance graph structure including the Cloud resource information, and outputs of workflows. ReCAP captures the Cloud resource information and links it with the workflow provenance to generate Cloud-aware provenance. The Cloud-aware provenance consists of configuration parameters relating to hardware and software describing a resource on the Cloud. This information once captured aids in re-provisioning the same execution infrastructure on the Cloud for workflow re-execution. Since resources on the Cloud can be used in static or dynamic (i.e. destroyed when a task is finished) manner, this presents a challenge for the devised provenance capturing approach. In order to deal with these scenarios, different capturing and mapping approaches have been presented in this thesis. These mapping approaches work outside the virtual machine and collect resource information from the Cloud middleware, thus they do not affect job performance. The impact of the collected Cloud resource information on the job as well as on the workflow execution has been evaluated through various experiments in this thesis. In ReCAP, the workflow reproducibility isverified by comparing the provenance graph structure, infrastructure details and the output produced by the workflows. To compare the provenance graphs, the captured provenance information including infrastructure details is translated to a graph model. These graphs of original execution and the reproduced execution are then compared in order to analyse their similarity. In this regard, two comparison approaches have been presented that can produce a qualitative analysis as well as quantitative analysis about the graph structure. The ReCAP framework and its constituent components are evaluated using different scientific workflows such as ReconAll and Montage from the domains of neuroscience (i.e. N4U) and astronomy respectively. The results have shown that ReCAP has been able to capture the Cloud-aware provenance and demonstrate the workflow execution reproducibility by re-provisioning the same resources on the Cloud. The results have also demonstrated that the provenance comparison approaches can determine the similarity between the two given provenance graphs. The results of workflow output comparison have shown that this approach is suitable to compare the outputs of scientific workflows, especially for deterministic workflows

Utilizing Provenance in Reusable Research Objects

Science is conducted collaboratively, often requiring the sharing of knowledge about computational experiments. When experiments include only datasets, they can be shared using Uniform Resource Identifiers (URIs) or Digital Object Identifiers (DOIs). An experiment, however, seldom includes only datasets, but more often includes software, its past execution, provenance, and associated documentation. The Research Object has recently emerged as a comprehensive and systematic method for aggregation and identification of diverse elements of computational experiments. While a necessary method, mere aggregation is not sufficient for the sharing of computational experiments. Other users must be able to easily recompute on these shared research objects. Computational provenance is often the key to enable such reuse. In this paper, we show how reusable research objects can utilize provenance to correctly repeat a previous reference execution, to construct a subset of a research object for partial reuse, and to reuse existing contents of a research object for modified reuse. We describe two methods to summarize provenance that aid in understanding the contents and past executions of a research object. The first method obtains a process-view by collapsing low-level system information, and the second method obtains a summary graph by grouping related nodes and edges with the goal to obtain a graph view similar to application workflow. Through detailed experiments, we show the efficacy and efficiency of our algorithms.Comment: 25 page

Scalable And Secure Provenance Querying For Scientific Workflows And Its Application In Autism Study

In the era of big data, scientific workflows have become essential to automate scientific experiments and guarantee repeatability. As both data and workflow increase in their scale, requirements for having a data lineage management system commensurate with the complexity of the workflow also become necessary, calling for new scalable storage, query, and analytics infrastructure. This system that manages and preserves the derivation history and morphosis of data, known as provenance system, is essential for maintaining quality and trustworthiness of data products and ensuring reproducibility of scientific discoveries. With a flurry of research and increased adoption of scientific workflows in processing sensitive data, i.e., health and medication domain, securing information flow and instrumenting access privileges in the system have become a fundamental precursor to deploying large-scale scientific workflows. That has become more important now since today team of scientists around the world can collaborate on experiments using globally distributed sensitive data sources. Hence, it has become imperative to augment scientific workflow systems as well as the underlying provenance management systems with data security protocols. Provenance systems, void of data security protocol, are susceptible to vulnerability. In this dissertation research, we delineate how scientific workflows can improve therapeutic practices in autism spectrum disorders. The data-intensive computation inherent in these workflows and sensitive nature of the data, necessitate support for scalable, parallel and robust provenance queries and secured view of data. With that in perspective, we propose $OPQL^{Pig}$, a parallel, robust, reliable and scalable provenance query language and introduce the concept of access privilege inheritance in the provenance systems. We characterize desirable properties of role-based access control protocol in scientific workflows and demonstrate how the qualities are integrated into the workflow provenance systems as well. Finally, we describe how these concepts fit within the DATAVIEW workflow management system

Methods Included:Standardizing Computational Reuse and Portability with the Common Workflow Language

A widely used standard for portable multilingual data analysis pipelines would enable considerable benefits to scholarly publication reuse, research/industry collaboration, regulatory cost control, and to the environment. Published research that used multiple computer languages for their analysis pipelines would include a complete and reusable description of that analysis that is runnable on a diverse set of computing environments. Researchers would be able to easier collaborate and reuse these pipelines, adding or exchanging components regardless of programming language used; collaborations with and within the industry would be easier; approval of new medical interventions that rely on such pipelines would be faster. Time will be saved and environmental impact would also be reduced, as these descriptions contain enough information for advanced optimization without user intervention. Workflows are widely used in data analysis pipelines, enabling innovation and decision-making for the modern society. In many domains the analysis components are numerous and written in multiple different computer languages by third parties. However, lacking a standard for reusable and portable multilingual workflows, then reusing published multilingual workflows, collaborating on open problems, and optimizing their execution would be severely hampered. Moreover, only a standard for multilingual data analysis pipelines that was widely used would enable considerable benefits to research-industry collaboration, regulatory cost control, and to preserving the environment. Prior to the start of the CWL project, there was no standard for describing multilingual analysis pipelines in a portable and reusable manner. Even today / currently, although there exist hundreds of single-vendor and other single-source systems that run workflows, none is a general, community-driven, and consensus-built standard

A survey of general-purpose experiment management tools for distributed systems

International audienceIn the field of large-scale distributed systems, experimentation is particularly difficult. The studied systems are complex, often nondeterministic and unreliable, software is plagued with bugs, whereas the experiment workflows are unclear and hard to reproduce. These obstacles led many independent researchers to design tools to control their experiments, boost productivity and improve quality of scientific results. Despite much research in the domain of distributed systems experiment management, the current fragmentation of efforts asks for a general analysis. We therefore propose to build a framework to uncover missing functionality of these tools, enable meaningful comparisons be-tween them and find recommendations for future improvements and research. The contribution in this paper is twofold. First, we provide an extensive list of features offered by general-purpose experiment management tools dedicated to distributed systems research on real platforms. We then use it to assess existing solutions and compare them, outlining possible future paths for improvements

Traceability for trustworthy AI: a review of models and tools

Traceability is considered a key requirement for trustworthy artificial intelligence (AI), related to the need to maintain a complete account of the provenance of data, processes, and artifacts involved in the production of an AI model. Traceability in AI shares part of its scope with general purpose recommendations for provenance as W3C PROV, and it is also supported to different extents by specific tools used by practitioners as part of their efforts in making data analytic processes reproducible or repeatable. Here, we review relevant tools, practices, and data models for traceability in their connection to building AI models and systems. We also propose some minimal requirements to consider a model traceable according to the assessment list of the High-Level Expert Group on AI. Our review shows how, although a good number of reproducibility tools are available, a common approach is currently lacking, together with the need for shared semantics. Besides, we have detected that some tools have either not achieved full maturity, or are already falling into obsolescence or in a state of near abandonment by its developers, which might compromise the reproducibility of the research trusted to them

Flock together with CReATIVE-B: A roadmap of global research data infrastructures supporting biodiversity and ecosystem science

Biodiversity research infrastructures are providing the integrated data sets and support for studying scenarios of biodiversity and ecosystem dynamics. The CReATIVE-B project - Coordination of Research e-Infrastructures Activities Toward an International Virtual Environment for Biodiversity – explored how cooperation and interoperability of large-scale Research Infrastructures across the globe could support the challenges of biodiversity and ecosystem research. A key outcome of the project is that the research infrastructures agreed to continue cooperation after the end of the project to advance scientific progress in understanding and predicting the complexity of natural systems. By working together in implementing the recommendations in this Roadmap, the data and capabilities of the cooperating research infrastructures are better served to address the grand challenges for biodiversity and ecosystem scientists