Add polynomial chaos expansion ensemble + analysis tasks #44
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matt-graham
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Merging this without review 🙈 so that it's in for the workshop. |
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Resolves #5
An alternative approach to that proposed in #43, this doesn't use the whole EasyVVUQ campaign infrastructure, only the components necessary for computing a polynomial chaos expansion (PCE) based analysis of NESO simulator outputs, while reusing as much of the existing infrastructure in the FabNESO for orchestrating running jobs and updating parameters in condition files as possible. Two tasks are added, one
neso_pce_ensemblefor running the ensemble of jobs corresponding to the quadrature points in the parameter space required to estimate the PCE coefficients, and a secondneso_pce_analysisfor taking the run outputs fromneso_pce_ensembleand computing the PCE coefficients, with the resulting analysis results allowing computation of statistics of the solver outputs and construction of a surrogate model.