BoFire for BoTorch 0.9.4

What's Changed

• Fix number of experiments condition for zero experiments by @jduerholt in #266
• Smaller model dumps by @jduerholt in #267
• Added outlier detection tutorial by @swagataroy123 in #262
• Add generic benchmark module by @jduerholt in #269
• Add log single-objective ACQFs by @jduerholt in #271
• Bayesian optimization over molecules by @swagataroy123 in #268
• Change random seed behavior by @jduerholt in #276
• Sync the output of surrogate.predict and strategy.predict by @jduerholt in #282
• Fix infeasible cost calculation for categorical inputs by @jduerholt in #281
• Refactor get acquisition in SOBO strategies and adapt to new way of handling constraints by @gmancino in #275
• Feature/experiment validation by @jduerholt in #289
• Implement possibility to run hyperparameter opts in the strategy by @jduerholt in #287
• Refactor the candidates/experiments validators. by @jduerholt in #291
• Add possibility to compute feature importance over the lengthscales in a SingleTaskGPSurrogate by @jduerholt in #293
• Fix for categorical features that are fixed in fully categorical BO by @simonsung06 in #295
• Mapping happens outside of runner by @bertiqwerty in #296
• Add polynomial kernel by @dlinzner-bcs in #298
• 286 add surrogate models that can extrapolate by @dlinzner-bcs in #299
• Iterative branch and bound by @dlinzner-bcs in #302
• Updated rdkit fragment/descriptor list by @simonsung06 in #306
• Allow for max_active=#(variables in constraint) in n_choose_k_constraints_as_bounds() by @Osburg in #304
• Add output_scaler to mlp by @simonsung06 in #305
• Add multi-objective log ACQFs by @jduerholt in #308

New Contributors

• @gmancino made their first contribution in #275

Full Changelog: v0.0.7...v0.0.8