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# This CITATION.cff file was generated with cffinit. | ||
# Visit https://bit.ly/cffinit to generate yours today! | ||
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cff-version: 1.2.0 | ||
title: >- | ||
proFit: Probabilistic Response Model Fitting with | ||
Interactive Tools | ||
message: >- | ||
If you use this software, please cite it using the | ||
metadata from this file. To cite a specific version of | ||
DESC, please cite the correct version from Zenodo at | ||
https://zenodo.org/search?page=1&size=20&q=conceptrecid:%223580488%22&sort=-version&all_versions=True | ||
type: software | ||
license: MIT | ||
authors: | ||
- given-names: Christopher | ||
family-names: ' Albert' | ||
affiliation: Technische Universität Graz | ||
orcid: 'https://orcid.org/0000-0003-4773-416X' | ||
email: albert@tugraz.at | ||
- given-names: Maximilian | ||
family-names: Kendler | ||
affiliation: Technische Universität Graz | ||
- given-names: Robert | ||
family-names: Babin | ||
affiliation: Technische Universität Graz | ||
- given-names: Michael | ||
family-names: Hadwiger | ||
affiliation: Technische Universität Graz | ||
- given-names: Richard | ||
family-names: Hofmeister | ||
affiliation: Helmholtz-Zentrum Geesthacht | ||
- given-names: Manal | ||
family-names: Khallaayoune | ||
affiliation: Max-Planck-Institut für Plasmaphysik | ||
- given-names: Francesco | ||
family-names: Kramp | ||
affiliation: Technische Universität Graz | ||
- given-names: Katharina | ||
family-names: Rath | ||
affiliation: Max-Planck-Institut für Plasmaphysik | ||
orcid: 'https://orcid.org/0000-0002-4962-5656' | ||
- given-names: Baptiste | ||
family-names: Rubino-Moyner | ||
affiliation: Max-Planck-Institut für Plasmaphysik | ||
identifiers: | ||
- type: doi | ||
value: 10.5281/zenodo.3580488 | ||
description: >- | ||
Main DOI, represents all versions and resolves to the | ||
latest one. | ||
repository-code: 'https://github.com/redmod-team/profit' | ||
url: 'https://profit.readthedocs.io/' | ||
keywords: | ||
- Parameter Study | ||
- Gaussian Process | ||
- Regression | ||
- HPC | ||
- Active Learning | ||
abstract: >- | ||
<p>proFit is a collection of tools for studying parametric | ||
dependencies of black-box simulation codes or experiments | ||
and construction of reduced order response models over | ||
input parameter space.</p><p>proFit can be fed with a | ||
number of data points consisting of different input | ||
parameter combinations and the resulting output of the | ||
simulation under investigation. It then fits a | ||
response-surface through the point cloud using Gaussian | ||
process regression (GPR) models. This probabilistic | ||
response model allows to predict (interpolate) the output | ||
at yet unexplored parameter combinations including | ||
uncertainty estimates. It can also tell you where to put | ||
more training points to gain maximum new information | ||
(experimental design) and automatically generate and start | ||
new simulation runs locally or on a cluster. Results can | ||
be explored and checked visually in a web | ||
frontend.</p><p>Telling proFit how to interact with your | ||
existing simulations is easy and requires no changes in | ||
your existing code. Current functionality covers starting | ||
simulations locally or on a cluster via <a | ||
href=\"https://slurm.schedmd.com\">Slurm</a>, subsequent | ||
surrogate modelling using <a | ||
href=\"https://github.com/SheffieldML/GPy\">GPy</a>, <a | ||
href=\"https://github.com/scikit-learn/scikit-learn\">scikit-learn</a>, | ||
as well as an active learning algorithm to iteratively | ||
sample at interesting points and a | ||
Markov-Chain-Monte-Carlo (MCMC) algorithm. The web | ||
frontend to interactively explore the point cloud and | ||
surrogate is based on <a | ||
href=\"https://github.com/plotly/dash\">plotly/dash</a>.</p><p>Features | ||
include: <ul><li>Compute evaluation points (e.g. from a | ||
random distribution) to run simulation</li><li>Template | ||
replacement and automatic generation of run | ||
directories</li><li>Starting parallel runs locally or on | ||
the cluster (SLURM)</li><li>Collection of result output | ||
and postprocessing</li><li>Response-model fitting using | ||
Gaussian Process Regression and Linear | ||
Regression</li><li>Active learning to reduce number of | ||
samples needed</li><li>MCMC to find a posterior parameter | ||
distribution (similar to active | ||
learning)</li><li>Graphical user interface to explore the | ||
results</li></ul></p>", |