Xopt v2.0.0

We are pleased the second major release of Xopt, with major changes of all high-level objects embrace the latest Pydantic V2. Some highlights are:

• Objects Xopt, VOCS, Evaluator, and all Generators inherit from pydantic.BaseModel
• Xopt VOCS objects now contain "observables" attribute to store observed data that is not directly maximized or minimized for more complex algorithms (BAX)
• Asynchronous behavior is now implemented in a separate AsynchronousXopt object, which allows for the base Xopt object to be simpler.
• Multiple bugs with BO have been fixed, especially with constraints and trust region BO
• Enables new features including Heteroskedastic noise models, fixed feature GP models, and evaluate functions returning multiple observations for a single input dict

Special thanks to @nikitakuklev for the careful migration from Pydantic v1 to v2.

Migration from V1

Users of previous versions will need to modify their YAML inputs. In particular, the xopt: field is no longer needed in the YAML, because its options are now at the top level. So,

xopt:
     max_evalulations: 100
vocs: 
    ...

Is now:

max_evalulations: 100
vocs: 
    ...

Pydantic will raise errors if fields are missing or if additional fields are not allowed.

What's Changed

• model constructor bugfix by @roussel-ryan in #116
• Fix CustomMean by @t-bz in #117
• Add example for Bayesian Exploration with NaNs by @t-bz in #120
• Fix the ES and RCDS generators by @wenatuhs in #118
• update branch w main by @roussel-ryan in #121
• Fix the NelderMead generator and add basic tests by @wenatuhs in #122
• Pydantic generators by @roussel-ryan in #113
• Fix device inconsistencies by @t-bz in #123
• pull from main by @roussel-ryan in #124
• Bayes exp fix by @roussel-ryan in #125
• change default value of X.options.strict to True from False by @roussel-ryan in #126
• pip pydantic version for now by @roussel-ryan in #127
• enable evaluators to pass lists of return values for a single evaluate call by @roussel-ryan in #130
• pull in main by @roussel-ryan in #132
• fixed features for Bayesian generators by @roussel-ryan in #128
• bax algorithm saving by @roussel-ryan in #134
• Constrained turbo improvements by @roussel-ryan in #133
• ENH: Untility method to copy generator objects by @YektaY in #131
• Bugfixes by @roussel-ryan in #135
• Add ModelList functionality to BaxGenerator. by @dylanmkennedy in #137
• Computation time tracking by @roussel-ryan in #136
• Adaptive ucb ei by @roussel-ryan in #139
• implement and test heteroskedastic modeling by @roussel-ryan in #140
• improve error messaging for validating points in vocs by @roussel-ryan in #141
• Bugfixes and constrained optimization example by @roussel-ryan in #142
• Pydantic xopt object by @roussel-ryan in #143
• bugfix for using turbo with maximization + test by @roussel-ryan in #144
• implement and test data saving + restart bugfix by @roussel-ryan in #145
• bugfixes by @roussel-ryan in #147
• Migrate to pydantic v2 by @nikitakuklev in #129
• UCB and constraints by @t-bz in #149
• Update gh-pages.yml by @roussel-ryan in #152
• enable xopt init from yaml file by @roussel-ryan in #151
• bugfix implementation and test by @roussel-ryan in #153
• add from_file helper function by @roussel-ryan in #155
• Update README by @roussel-ryan in #146
• Improve model visualization options by @t-bz in #157
• bugfix w test by @roussel-ryan in #160
• Update main index page in docs by @ChristopherMayes in #161
• add select_best function to vocs by @roussel-ryan in #162
• Docs touchup by @ChristopherMayes in #164
• Ensure prior mean model is in eval mode by @t-bz in #163
• bugfix for pandas indexing issue by @roussel-ryan in #165

New Contributors

• @YektaY made their first contribution in #131

Full Changelog: v1.4.1...v2.0.0