remycharayron / rcharayr_smt

Surrogate Modeling Toolbox

Surrogate Modeling Toolbox

The surrogate modeling toolbox (SMT) is a Python package that contains a collection of surrogate modeling methods, sampling techniques, and benchmarking functions. This package provides a library of surrogate models that is simple to use and facilitates the implementation of additional methods.

SMT is different from existing surrogate modeling libraries because of its emphasis on derivatives, including training derivatives used for gradient-enhanced modeling, prediction derivatives, and derivatives with respect to the training data.

It also includes new surrogate models that are not available elsewhere: kriging by partial-least squares reduction and energy-minimizing spline interpolation. SMT is documented using custom tools for embedding automatically-tested code and dynamically-generated plots to produce high-quality user guides with minimal effort from contributors.

SMT is distributed under the New BSD license.

To cite SMT 2.0: P. Saves and R. Lafage and N. Bartoli and Y. Diouane and J. H. Bussemaker and T. Lefebvre and J. T. Hwang and J. Morlier and J. R. R. A. Martins. SMT 2.0: A Surrogate Modeling Toolbox with a focus on Hierarchical and Mixed Variables Gaussian Processes. ArXiv preprint, 2023.

@article{SMT2ArXiv,
	Author = {P. Saves and R. Lafage and N. Bartoli and Y. Diouane and J. H. Bussemaker and T. Lefebvre and J. T. Hwang and J. Morlier and J. R. R. A. Martins},
	Journal = {ArXiv preprint},	
	Title = {{SMT} 2.0: A Surrogate Modeling Toolbox with a focus on Hierarchical and Mixed Variables Gaussian Processes},
	Publisher = {ArXiv},		
	doi = {https://doi.org/10.48550/arXiv.2305.13998},
	Year = {2023}}

To cite SMT legacy: M. A. Bouhlel and J. T. Hwang and N. Bartoli and R. Lafage and J. Morlier and J. R. R. A. Martins. A Python surrogate modeling framework with derivatives. Advances in Engineering Software, 2019.

@article{SMT2019,
	Author = {Mohamed Amine Bouhlel and John T. Hwang and Nathalie Bartoli and Rémi Lafage and Joseph Morlier and Joaquim R. R. A. Martins},
	Journal = {Advances in Engineering Software},
	Title = {A Python surrogate modeling framework with derivatives},
	pages = {102662},
	issn = {0965-9978},
	doi = {https://doi.org/10.1016/j.advengsoft.2019.03.005},
	Year = {2019}}

Required packages

SMT depends on the following modules: numpy, scipy, scikit-learn, pyDOE2 and Cython.

Installation

If you want to install the latest release

pip install smt

or else if you want to install from the current master branch

pip install git+https://github.com/SMTOrg/smt.git@master

Usage

For examples demonstrating how to use SMT, you can take a look at the tutorial notebooks or go to the 'smt/examples' folder.

Documentation

Documentation of Surrogate Modeling Toolbox.

Contributing

To contribute to SMT refer to the contributing section of the documentation.