• About xtsci-function

A repository with a function base class for ease of exploration, with optimizers and saddle search methods. The repository also includes standard test functions from statistics and chemistry.

Trial functions implemented:

• Rosenbrock function
• Himmelblau's function
• Eggholder's function
• Muller-Brown function

** Features

• Allows masks for fixing degrees of freedom

** Usage Until bindings are ready, tiny_cli.cpp can be edited and run with the python scripts to get a visual for the trial functions.

#+begin_src bash meson setup bbdir meson compile -C bbdir ./bbdir/CppCore/tiny_cli

Example

python scripts/plot_2d.py "rosen.npz" python scripts/plot_2d.py "himmelblau.npz" --num_minima 4 --exclusion_radius 0.03 python scripts/plot_2d.py "mullerbrown.npz" --num_minima 3 --exclusion_radius 0.8 python scripts/plot_2d.py "eggholder.npz" --num_minima 5 --exclusion_radius 100 python scripts/plot_2d.py "branin.npz" --num_minima 4 #+end_src

** Components The heart of the library is the xts::func namespace.

• Note that this uses designated initializers, a C++20 feature.

** Tests

For the most part these are computed using reference implementations in R, or via sympy. These "generating" scripts are also in the scripts folder.

** Provenance References are provided, but these were originally conceived for use with [[https://github.com/HaoZeke/xtsci-optimize][xtsci-optimize]]. Most of these are derived from the work of [[https://www.sfu.ca/~ssurjano/index.html][Surjanovic and Bingham]] (Virtual Library of Simulation Experiments).

** License MIT.