ChristopherMayes/Xopt: Xopt v2.0.1

<h2>What's Changed</h2> <ul> <li>Delete print statement for validation of GP constructor by @t-bz in https://github.com/ChristopherMayes/Xopt/pull/169</li> <li>Optional arguments by @roussel-ryan in https://github.com/ChristopherMayes/Xopt/pull/170</li> <li>Vocs normalize inputs by @roussel-ryan in https://github.com/ChristopherMayes/Xopt/pull/168</li> </ul> <p><strong>Full Changelog</strong>: https://github.com/ChristopherMayes/Xopt/compare/v2.0.0...v2.0.1</p&gt

ChristopherMayes/Xopt: Xopt v2.0.0

<p>We are pleased the second major release of Xopt, with major changes of all high-level objects embrace the latest <a href="https://docs.pydantic.dev/latest/">Pydantic</a> V2. Some highlights are:</p> <ul> <li>Objects <code>Xopt</code>, <code>VOCS</code>, <code>Evaluator</code>, and all Generators inherit from <a href="https://docs.pydantic.dev/latest/api/base_model/#pydantic.BaseModel"><code>pydantic.BaseModel</code></a></li> <li>Xopt VOCS objects now contain "observables" attribute to store observed data that is not directly maximized or minimized for more complex algorithms (BAX)</li> <li>Asynchronous behavior is now implemented in a separate <code>AsynchronousXopt</code> object, which allows for the base <code>Xopt</code> object to be simpler.</li> <li>Multiple bugs with BO have been fixed, especially with constraints and trust region BO</li> <li>Enables new features including Heteroskedastic noise models, fixed feature GP models, and evaluate functions returning multiple observations for a single input dict</li> </ul> <p>Special thanks to @nikitakuklev for the careful migration from Pydantic v1 to v2.</p> <h2>Migration from V1</h2> <p>Users of previous versions will need to modify their YAML inputs. In particular, the <code>xopt:</code> field is no longer needed in the YAML, because its options are now at the top level. So,</p> <pre><code class="language-yaml">xopt: max_evalulations: 100 vocs: ... </code></pre> <p>Is now:</p> <pre><code class="language-yaml">max_evalulations: 100 vocs: ... </code></pre> <p>Pydantic will raise errors if fields are missing or if additional fields are not allowed.</p> <h2>What's Changed</h2> <ul> <li>model constructor bugfix by @roussel-ryan in https://github.com/ChristopherMayes/Xopt/pull/116</li> <li>Fix CustomMean by @t-bz in https://github.com/ChristopherMayes/Xopt/pull/117</li> <li>Add example for Bayesian Exploration with NaNs by @t-bz in https://github.com/ChristopherMayes/Xopt/pull/120</li> <li>Fix the ES and RCDS generators by @wenatuhs in https://github.com/ChristopherMayes/Xopt/pull/118</li> <li>update branch w main by @roussel-ryan in https://github.com/ChristopherMayes/Xopt/pull/121</li> <li>Fix the NelderMead generator and add basic tests by @wenatuhs in https://github.com/ChristopherMayes/Xopt/pull/122</li> <li>Pydantic generators by @roussel-ryan in https://github.com/ChristopherMayes/Xopt/pull/113</li> <li>Fix device inconsistencies by @t-bz in https://github.com/ChristopherMayes/Xopt/pull/123</li> <li>pull from main by @roussel-ryan in https://github.com/ChristopherMayes/Xopt/pull/124</li> <li>Bayes exp fix by @roussel-ryan in https://github.com/ChristopherMayes/Xopt/pull/125</li> <li>change default value of X.options.strict to True from False by @roussel-ryan in https://github.com/ChristopherMayes/Xopt/pull/126</li> <li>pip pydantic version for now by @roussel-ryan in https://github.com/ChristopherMayes/Xopt/pull/127</li> <li>enable evaluators to pass lists of return values for a single evaluate call by @roussel-ryan in https://github.com/ChristopherMayes/Xopt/pull/130</li> <li>pull in main by @roussel-ryan in https://github.com/ChristopherMayes/Xopt/pull/132</li> <li>fixed features for Bayesian generators by @roussel-ryan in https://github.com/ChristopherMayes/Xopt/pull/128</li> <li>bax algorithm saving by @roussel-ryan in https://github.com/ChristopherMayes/Xopt/pull/134</li> <li>Constrained turbo improvements by @roussel-ryan in https://github.com/ChristopherMayes/Xopt/pull/133</li> <li>ENH: Untility method to copy generator objects by @YektaY in https://github.com/ChristopherMayes/Xopt/pull/131</li> <li>Bugfixes by @roussel-ryan in https://github.com/ChristopherMayes/Xopt/pull/135</li> <li>Add ModelList functionality to BaxGenerator. by @dylanmkennedy in https://github.com/ChristopherMayes/Xopt/pull/137</li> <li>Computation time tracking by @roussel-ryan in https://github.com/ChristopherMayes/Xopt/pull/136</li> <li>Adaptive ucb ei by @roussel-ryan in https://github.com/ChristopherMayes/Xopt/pull/139</li> <li>implement and test heteroskedastic modeling by @roussel-ryan in https://github.com/ChristopherMayes/Xopt/pull/140</li> <li>improve error messaging for validating points in vocs by @roussel-ryan in https://github.com/ChristopherMayes/Xopt/pull/141</li> <li>Bugfixes and constrained optimization example by @roussel-ryan in https://github.com/ChristopherMayes/Xopt/pull/142</li> <li>Pydantic xopt object by @roussel-ryan in https://github.com/ChristopherMayes/Xopt/pull/143</li> <li>bugfix for using turbo with maximization + test by @roussel-ryan in https://github.com/ChristopherMayes/Xopt/pull/144</li> <li>implement and test data saving + restart bugfix by @roussel-ryan in https://github.com/ChristopherMayes/Xopt/pull/145</li> <li>bugfixes by @roussel-ryan in https://github.com/ChristopherMayes/Xopt/pull/147</li> <li>Migrate to pydantic v2 by @nikitakuklev in https://github.com/ChristopherMayes/Xopt/pull/129</li> <li>UCB and constraints by @t-bz in https://github.com/ChristopherMayes/Xopt/pull/149</li> <li>Update gh-pages.yml by @roussel-ryan in https://github.com/ChristopherMayes/Xopt/pull/152</li> <li>enable xopt init from yaml file by @roussel-ryan in https://github.com/ChristopherMayes/Xopt/pull/151</li> <li>bugfix implementation and test by @roussel-ryan in https://github.com/ChristopherMayes/Xopt/pull/153</li> <li>add from_file helper function by @roussel-ryan in https://github.com/ChristopherMayes/Xopt/pull/155</li> <li>Update README by @roussel-ryan in https://github.com/ChristopherMayes/Xopt/pull/146</li> <li>Improve model visualization options by @t-bz in https://github.com/ChristopherMayes/Xopt/pull/157</li> <li>bugfix w test by @roussel-ryan in https://github.com/ChristopherMayes/Xopt/pull/160</li> <li>Update main index page in docs by @ChristopherMayes in https://github.com/ChristopherMayes/Xopt/pull/161</li> <li>add select_best function to vocs by @roussel-ryan in https://github.com/ChristopherMayes/Xopt/pull/162</li> <li>Docs touchup by @ChristopherMayes in https://github.com/ChristopherMayes/Xopt/pull/164</li> <li>Ensure prior mean model is in eval mode by @t-bz in https://github.com/ChristopherMayes/Xopt/pull/163</li> <li>bugfix for pandas indexing issue by @roussel-ryan in https://github.com/ChristopherMayes/Xopt/pull/165</li> </ul> <h2>New Contributors</h2> <ul> <li>@YektaY made their first contribution in https://github.com/ChristopherMayes/Xopt/pull/131</li> </ul> <p><strong>Full Changelog</strong>: https://github.com/ChristopherMayes/Xopt/compare/v1.4.1...v2.0.0</p&gt