On specifying and sharing scientific workflow optimization results using research objects

Abstract

Reusing and repurposing scientific workflows for novel scientific experiments is nowadays facilitated by workflow repositories. Such repositories allow scientists to find existing workflows and re-execute them. However, workflow input parameters often need to be adjusted to the research problem at hand. Adapting these parameters may become a daunting task due to the infinite combinations of their values in a wide range of applications. Thus, a scientist may preferably use an automated optimization mechanism to adjust the workflow set-up and improve the result. Currently, automated optimizations must be started from scratch as optimization meta-data are not stored together with workflow provenance data. This important meta-data is lost and can neither be reused nor assessed by other researchers. In this paper we present a novel approach to capture optimization meta-data by extending the Research Object model and reusing the W3C standards. We validate our proposal through a real-world use case taken from the biodivertsity domain, and discuss the exploitation of our solution in the context of existing e-Science infrastructures.

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