Parameter space exploration using scientific workflows

Abstract

In recent years there has been interest in performing parameter space exploration across "scientific workflows", however, many existing workflow tools are not well suited to this. In this paper we augment existing systems with a small set of special "actors" that implement the parameter estimation logic. Specifically, we discuss a set of new Kepler actors that support both complete and partial sweeps based on experimental design techniques. When combined with a novel parallel execution mechanism, we are able to execute parallel sweeps and searches across workflows that run on distributed "Grid" infrastructure. We illustrate our new system with a case study in cardiac cell modelling. © 2009 Springer Berlin Heidelberg.