Scientific workflows and their supporting systems are becoming increasingly popular for compute-intensive and data-intensive scientific experiments. The advantages scientific workflows offer include rapid and easy workflow design, software and data reuse, scalable execution, sharing and collaboration, and other advantages that altogether facilitate “reproducible science”. In this context, provenance – information about the origin, context, derivation, ownership, or history of some artifact – plays a key role, since scientists are interested in examining and auditing the results of scientific experiments. However, in order to perform such analyses on scientific results as part of extended research collaborations, an adequate environment and tools are required. Concretely, the need arises for a repository that will facilitate the sharing of scientific workflows and their associated execution traces in an interoperable manner, also enabling querying and visualization. Furthermore, such functionality should be supported while taking performance and scalability into account. With this purpose in mind, we introduce PBase: a scientific workflow provenance repository implementing the ProvONE proposed standard, which extends the emerging W3C PROV standard for provenance data with workflow specific concepts. PBase is built on the Neo4j graph database, thus offering capabilities such as declarative and efficient querying. Our experiences demonstrate the power gained by supporting various types of queries for provenance data. In addition, PBase is equipped with a user friendly interface tailored for the visualization of scientific workflow provenance data, making the specification of queries and the interpretation of their results easier and more effective.

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Use of graphs is growing rapidly in social networks, semantic web, biological databases, scientific workflow provenance, and other areas. Regular Path Queries (RPQs) can be seen as a core graph query language to answer pattern-based reachability queries. Unfortunately, the number of freely available systems for querying graphs using RPQs is rather limited, and available implementations do not provide direct support for a number of desirable variants of RPQs, e.g., to return those edges that are contained in some (or all) paths that match the given regular expression R. Thus, by returning not just a pair (x, y) of end points of paths that match R, but also "witness edges" (u, v) inbetween, our RPQ variants can be understood as returning additional provenance information about the answer (x, y), i.e., those edges (u, v) that are in some (or all) paths from x to y matching R. We propose a number of such RPQ variants and show how they can be implemented using either Datalog or a suitable RDBMS. Our initial experimental results indicate that RPQs and our provenance-aware variants (RPQProv), when implemented using conventional relational technologies, yield reasonable performance even for relatively large graphs. On the other hand, the overhead associated with some of these variants also makes efficient handling of provenance-aware graph queries an interesting challenge for future research.

Scientific workflows are becoming increasingly popular for compute-intensive and data-intensive scientific applications. The vision and promise of scientific workflows includes rapid, easy workflow design, reuse, scalable execution, and other advantages, e.g., to facilitate "reproducible science" through provenance (e.g., data lineage) support. However, as described in the paper, important research challenges remain. While the database community has studied (business) workflow technologies extensively in the past, most current work in scientific workflows seems to be done outside of the database community, e.g., by practitioners and researchers in the computational sciences and eScience. We provide a brief introduction to scientific workflows and provenance, and identify areas and problems that suggest new opportunities for database research.

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