Class or Function Names BboRietveldSampler create_objective ProjectConfig rietveld_plot Installation Installation of GSAS-II Please refer the official documantation of GSAS-II https://github.com/AdvancedPhotonSource/GSAS-II the installation guide A Docker image including GSAS-II is also available in the BBO-Rietveld repository. https://github.com/quantumbeam/BBO-Rietveld docker pull resnant/bbo-rietveld:v1.1 Example Implementation of BBO-Rietveld, automated crystal structure analysis method based on blackbox optimisation.
This image is taken from the BBO-Rietveld paper under a Creative Commons Attribution 4.0 International License.
To execute following example, please make directory Y2O3_data in the same directory of this code and copy Y2O3.
Abstract This package provides an implementation of the uniform design (UD) algorithm. UD is a variety of design-of-experiment (DOE) methods, and it has better sample efficiency than simple random sampling.
Class or Function Names UniformDesignSampler Installation $ pip install -r https://hub.optuna.org/samplers/uniform_design/requirements.txt Example import matplotlib.pyplot as plt import numpy as np import optuna import optunahub from optuna.distributions import FloatDistribution module = optunahub.load_module("samplers/uniform_design") UniformDesignSampler = module.UniformDesignSampler def objective(trial): x = trial.suggest_float("x", 0, 1) y = trial.