Towards Exascale Scientific Metadata Management

Advances in technology and computing hardware are enabling scientists from all areas of science to produce massive amounts of data using large-scale simulations or observational facilities. In this era of data deluge, effective coordination between the data production and the analysis phases hinges on the availability of metadata that describe the scientific datasets. Existing workflow engines have been capturing a limited form of metadata to provide provenance information about the identity and lineage of the data. However, much of the data produced by simulations, experiments, and analyses still need to be annotated manually in an ad hoc manner by domain scientists. Systematic and transparent acquisition of rich metadata becomes a crucial prerequisite to sustain and accelerate the pace of scientific innovation. Yet, ubiquitous and domain-agnostic metadata management infrastructure that can meet the demands of extreme-scale science is notable by its absence. To address this gap in scientific data management research and practice, we present our vision for an integrated approach that (1) automatically captures and manipulates information-rich metadata while the data is being produced or analyzed and (2) stores metadata within each dataset to permeate metadata-oblivious processes and to query metadata through established and standardized data access interfaces. We motivate the need for the proposed integrated approach using applications from plasma physics, climate modeling and neuroscience, and then discuss research challenges and possible solutions

The Evolution of myExperiment

The myExperiment social website for sharing scientific workflows, designed according to Web 2.0 principles, has grown to be the largest public repository of its kind. It is distinctive for its focus on sharing methods, its researcher-centric design and its facility to aggregate content into sharable 'research objects'. This evolution of myExperiment has occurred hand in hand with its users. myExperiment now supports Linked Data as a step toward our vision of the future research environment, which we categorise here as '3rd generation e-Research'

The Role of Provenance Management in Accelerating the Rate of Astronomical Research

The availability of vast quantities of data through electronic archives has transformed astronomical research. It has also enabled the creation of new products, models and simulations, often from distributed input data and models, that are themselves made electronically available. These products will only provide maximal long-term value to astronomers when accompanied by records of their provenance; that is, records of the data and processes used in the creation of such products. We use the creation of image mosaics with the Montage grid-enabled mosaic engine to emphasize the necessity of provenance management and to understand the science requirements that higher-level products impose on provenance management technologies. We describe experiments with one technology, the "Provenance Aware Service Oriented Architecture" (PASOA), that stores provenance information at each step in the computation of a mosaic. The results inform the technical specifications of provenance management systems, including the need for extensible systems built on common standards. Finally, we describe examples of provenance management technology emerging from the fields of geophysics and oceanography that have applicability to astronomy applications.Comment: 8 pages, 1 figure; Proceedings of Science, 201

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

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

What May Visualization Processes Optimize?

In this paper, we present an abstract model of visualization and inference processes and describe an information-theoretic measure for optimizing such processes. In order to obtain such an abstraction, we first examined six classes of workflows in data analysis and visualization, and identified four levels of typical visualization components, namely disseminative, observational, analytical and model-developmental visualization. We noticed a common phenomenon at different levels of visualization, that is, the transformation of data spaces (referred to as alphabets) usually corresponds to the reduction of maximal entropy along a workflow. Based on this observation, we establish an information-theoretic measure of cost-benefit ratio that may be used as a cost function for optimizing a data visualization process. To demonstrate the validity of this measure, we examined a number of successful visualization processes in the literature, and showed that the information-theoretic measure can mathematically explain the advantages of such processes over possible alternatives.Comment: 10 page

PROV-IO+: A Cross-Platform Provenance Framework for Scientific Data on HPC Systems

Data provenance, or data lineage, describes the life cycle of data. In scientific workflows on HPC systems, scientists often seek diverse provenance (e.g., origins of data products, usage patterns of datasets). Unfortunately, existing provenance solutions cannot address the challenges due to their incompatible provenance models and/or system implementations. In this paper, we analyze four representative scientific workflows in collaboration with the domain scientists to identify concrete provenance needs. Based on the first-hand analysis, we propose a provenance framework called PROV-IO+, which includes an I/O-centric provenance model for describing scientific data and the associated I/O operations and environments precisely. Moreover, we build a prototype of PROV-IO+ to enable end-to-end provenance support on real HPC systems with little manual effort. The PROV-IO+ framework can support both containerized and non-containerized workflows on different HPC platforms with flexibility in selecting various classes of provenance. Our experiments with realistic workflows show that PROV-IO+ can address the provenance needs of the domain scientists effectively with reasonable performance (e.g., less than 3.5% tracking overhead for most experiments). Moreover, PROV-IO+ outperforms a state-of-the-art system (i.e., ProvLake) in our experiments

Towards Interoperable Research Infrastructures for Environmental and Earth Sciences

This open access book summarises the latest developments on data management in the EU H2020 ENVRIplus project, which brought together more than 20 environmental and Earth science research infrastructures into a single community. It provides readers with a systematic overview of the common challenges faced by research infrastructures and how a ‘reference model guided’ engineering approach can be used to achieve greater interoperability among such infrastructures in the environmental and earth sciences. The 20 contributions in this book are structured in 5 parts on the design, development, deployment, operation and use of research infrastructures. Part one provides an overview of the state of the art of research infrastructure and relevant e-Infrastructure technologies, part two discusses the reference model guided engineering approach, the third part presents the software and tools developed for common data management challenges, the fourth part demonstrates the software via several use cases, and the last part discusses the sustainability and future directions