├── .flake8 ├── .github ├── ISSUE_TEMPLATE │ ├── bug_report.yml │ ├── config.yml │ └── feature_request.yml ├── PULL_REQUEST_TEMPLATE.md └── workflows │ ├── deploy_on_release.yml │ ├── docs.yml │ ├── lint.yml │ ├── nightly.yml │ ├── publish_website.yml │ ├── reusable_test.yml │ ├── reusable_tutorials.yml │ ├── test.yml │ ├── test_stable.yml │ ├── test_website.yml │ └── tutorials_smoke_test.yml ├── .gitignore ├── .pre-commit-config.yaml ├── .readthedocs.yaml ├── CHANGELOG.md ├── CODE_OF_CONDUCT.md ├── CONTRIBUTING.md ├── LICENSE ├── MANIFEST.in ├── README.md ├── SECURITY.md ├── botorch ├── __init__.py ├── acquisition │ ├── __init__.py │ ├── acquisition.py │ ├── active_learning.py │ ├── analytic.py │ ├── bayesian_active_learning.py │ ├── cached_cholesky.py │ ├── cost_aware.py │ ├── decoupled.py │ ├── factory.py │ ├── fixed_feature.py │ ├── input_constructors.py │ ├── joint_entropy_search.py │ ├── knowledge_gradient.py │ ├── logei.py │ ├── max_value_entropy_search.py │ ├── monte_carlo.py │ ├── multi_objective │ │ ├── __init__.py │ │ ├── analytic.py │ │ ├── base.py │ │ ├── hypervolume_knowledge_gradient.py │ │ ├── joint_entropy_search.py │ │ ├── logei.py │ │ ├── max_value_entropy_search.py │ │ ├── monte_carlo.py │ │ ├── multi_fidelity.py │ │ ├── multi_output_risk_measures.py │ │ ├── objective.py │ │ ├── parego.py │ │ ├── predictive_entropy_search.py │ │ └── utils.py │ ├── multi_step_lookahead.py │ ├── multioutput_acquisition.py │ ├── objective.py │ ├── penalized.py │ ├── predictive_entropy_search.py │ ├── preference.py │ ├── prior_guided.py │ ├── proximal.py │ ├── risk_measures.py │ ├── thompson_sampling.py │ └── utils.py ├── cross_validation.py ├── exceptions │ ├── __init__.py │ ├── errors.py │ └── warnings.py ├── fit.py ├── generation │ ├── __init__.py │ ├── gen.py │ ├── sampling.py │ └── utils.py ├── logging.py ├── models │ ├── __init__.py │ ├── approximate_gp.py │ ├── contextual.py │ ├── contextual_multioutput.py │ ├── cost.py │ ├── deterministic.py │ ├── ensemble.py │ ├── fully_bayesian.py │ ├── fully_bayesian_multitask.py │ ├── gp_regression.py │ ├── gp_regression_fidelity.py │ ├── gp_regression_mixed.py │ ├── gpytorch.py │ ├── heterogeneous_mtgp.py │ ├── higher_order_gp.py │ ├── kernels │ │ ├── __init__.py │ │ ├── categorical.py │ │ ├── contextual_lcea.py │ │ ├── contextual_sac.py │ │ ├── downsampling.py │ │ ├── exponential_decay.py │ │ ├── heterogeneous_multitask.py │ │ ├── infinite_width_bnn.py │ │ ├── linear_truncated_fidelity.py │ │ ├── orthogonal_additive_kernel.py │ │ └── positive_index.py │ ├── latent_kronecker_gp.py │ ├── likelihoods │ │ ├── __init__.py │ │ ├── pairwise.py │ │ └── sparse_outlier_noise.py │ ├── map_saas.py │ ├── model.py │ ├── model_list_gp_regression.py │ ├── multitask.py │ ├── pairwise_gp.py │ ├── relevance_pursuit.py │ ├── robust_relevance_pursuit_model.py │ ├── transforms │ │ ├── __init__.py │ │ ├── factory.py │ │ ├── input.py │ │ ├── outcome.py │ │ └── utils.py │ └── utils │ │ ├── __init__.py │ │ ├── assorted.py │ │ ├── gpytorch_modules.py │ │ └── inducing_point_allocators.py ├── optim │ ├── __init__.py │ ├── batched_lbfgs_b.py │ ├── closures │ │ ├── __init__.py │ │ ├── core.py │ │ └── model_closures.py │ ├── core.py │ ├── fit.py │ ├── homotopy.py │ ├── initializers.py │ ├── optimize.py │ ├── optimize_homotopy.py │ ├── optimize_mixed.py │ ├── parameter_constraints.py │ ├── stopping.py │ └── utils │ │ ├── __init__.py │ │ ├── acquisition_utils.py │ │ ├── common.py │ │ ├── model_utils.py │ │ ├── numpy_utils.py │ │ └── timeout.py ├── posteriors │ ├── __init__.py │ ├── base_samples.py │ ├── ensemble.py │ ├── fully_bayesian.py │ ├── gpytorch.py │ ├── higher_order.py │ ├── latent_kronecker.py │ ├── multitask.py │ ├── posterior.py │ ├── posterior_list.py │ ├── torch.py │ └── transformed.py ├── py.typed ├── sampling │ ├── __init__.py │ ├── base.py │ ├── get_sampler.py │ ├── index_sampler.py │ ├── list_sampler.py │ ├── normal.py │ ├── pairwise_samplers.py │ ├── pathwise │ │ ├── __init__.py │ │ ├── features │ │ │ ├── __init__.py │ │ │ ├── generators.py │ │ │ └── maps.py │ │ ├── paths.py │ │ ├── posterior_samplers.py │ │ ├── prior_samplers.py │ │ ├── update_strategies.py │ │ └── utils.py │ ├── qmc.py │ └── stochastic_samplers.py ├── settings.py ├── test_functions │ ├── __init__.py │ ├── base.py │ ├── multi_fidelity.py │ ├── multi_objective.py │ ├── multi_objective_multi_fidelity.py │ ├── sensitivity_analysis.py │ ├── synthetic.py │ └── utils.py ├── test_utils │ ├── __init__.py │ └── mock.py └── utils │ ├── __init__.py │ ├── constants.py │ ├── constraints.py │ ├── containers.py │ ├── context_managers.py │ ├── datasets.py │ ├── dispatcher.py │ ├── evaluation.py │ ├── feasible_volume.py │ ├── low_rank.py │ ├── multi_objective │ ├── __init__.py │ ├── box_decompositions │ │ ├── __init__.py │ │ ├── box_decomposition.py │ │ ├── box_decomposition_list.py │ │ ├── dominated.py │ │ ├── non_dominated.py │ │ └── utils.py │ ├── hypervolume.py │ ├── optimize.py │ ├── pareto.py │ └── scalarization.py │ ├── multitask.py │ ├── objective.py │ ├── probability │ ├── __init__.py │ ├── bvn.py │ ├── lin_ess.py │ ├── linalg.py │ ├── mvnxpb.py │ ├── truncated_multivariate_normal.py │ ├── unified_skew_normal.py │ └── utils.py │ ├── rounding.py │ ├── safe_math.py │ ├── sampling.py │ ├── test_helpers.py │ ├── testing.py │ ├── torch.py │ ├── transforms.py │ └── types.py ├── botorch_community ├── README.md ├── __init__.py ├── acquisition │ ├── __init__.py │ ├── augmented_multisource.py │ ├── bayesian_active_learning.py │ ├── bll_thompson_sampling.py │ ├── discretized.py │ ├── hentropy_search.py │ ├── input_constructors.py │ ├── latent_information_gain.py │ ├── rei.py │ └── scorebo.py ├── models │ ├── __init__.py │ ├── blls.py │ ├── example.py │ ├── gp_regression_multisource.py │ ├── np_regression.py │ ├── prior_fitted_network.py │ ├── utils │ │ ├── __init__.py │ │ └── prior_fitted_network.py │ ├── vbll_helper.py │ └── vblls.py ├── posteriors │ ├── __init__.py │ ├── bll_posterior.py │ └── riemann.py └── utils │ ├── __init__.py │ └── stat_dist.py ├── botorch_logo_lockup.png ├── botorch_logo_lockup.svg ├── docs ├── acquisition.md ├── assets │ ├── EI_MC_qMC.png │ ├── EI_optimal_val_hist.png │ ├── EI_optimizer_hist.png │ ├── EI_resampling_fixed.png │ ├── botorch_and_ax.svg │ ├── mc_acq_illustration.svg │ ├── overview_bayesopt.svg │ ├── overview_blackbox.svg │ └── overview_mcacquisition.svg ├── batching.md ├── botorch_and_ax.md ├── constraints.md ├── design_philosophy.md ├── getting_started.mdx ├── introduction.md ├── models.md ├── multi_objective.md ├── notebooks_community │ └── index.mdx ├── objectives.md ├── optimization.md ├── overview.md ├── papers.md ├── posteriors.md ├── samplers.md └── tutorials │ └── index.mdx ├── notebooks_community ├── README.md ├── clf_constrained_bo │ └── clf_constrained_bo.ipynb ├── example │ └── example.ipynb ├── hentropy_search │ └── hentropy_search.ipynb ├── multi_source_bo │ └── multi_source_bo.ipynb └── vbll_thompson_sampling │ └── vbll_thompson_sampling.ipynb ├── pyproject.toml ├── requirements-fmt.txt ├── scripts ├── build_docs.sh ├── check_pre_commit_reqs.py ├── convert_ipynb_to_mdx.py ├── parse_sphinx.py ├── patch_site_config.py ├── run_tutorials.py ├── validate_sphinx.py └── verify_py_packages.sh ├── sphinx ├── Makefile ├── README.md ├── make.bat └── source │ ├── _static │ └── custom.css │ ├── acquisition.rst │ ├── conf.py │ ├── cross_validation.rst │ ├── exceptions.rst │ ├── fit.rst │ ├── generation.rst │ ├── index.rst │ ├── logging.rst │ ├── models.rst │ ├── optim.rst │ ├── posteriors.rst │ ├── sampling.rst │ ├── settings.rst │ ├── test_functions.rst │ ├── test_utils.rst │ └── utils.rst ├── test ├── __init__.py ├── acquisition │ ├── __init__.py │ ├── multi_objective │ │ ├── __init__.py │ │ ├── test_analytic.py │ │ ├── test_base.py │ │ ├── test_hypervolume_knowledge_gradient.py │ │ ├── test_joint_entropy_search.py │ │ ├── test_logei.py │ │ ├── test_max_value_entropy_search.py │ │ ├── test_monte_carlo.py │ │ ├── test_multi_fidelity.py │ │ ├── test_multi_output_risk_measures.py │ │ ├── test_objective.py │ │ ├── test_parego.py │ │ ├── test_predictive_entropy_search.py │ │ └── test_utils.py │ ├── test_acquisition.py │ ├── test_active_learning.py │ ├── test_analytic.py │ ├── test_bayesian_active_learning.py │ ├── test_cached_cholesky.py │ ├── test_cost_aware.py │ ├── test_decoupled.py │ ├── test_factory.py │ ├── test_fixed_feature.py │ ├── test_input_constructors.py │ ├── test_integration.py │ ├── test_joint_entropy_search.py │ ├── test_knowledge_gradient.py │ ├── test_logei.py │ ├── test_max_value_entropy_search.py │ ├── test_monte_carlo.py │ ├── test_multi_step_lookahead.py │ ├── test_multioutput_acquisition.py │ ├── test_objective.py │ ├── test_penalized.py │ ├── test_predictive_entropy_search.py │ ├── test_preference.py │ ├── test_prior_guided.py │ ├── test_proximal.py │ ├── test_risk_measures.py │ ├── test_thompson_sampling.py │ └── test_utils.py ├── exceptions │ ├── __init__.py │ ├── test_errors.py │ └── test_warnings.py ├── generation │ ├── __init__.py │ ├── test_gen.py │ ├── test_sampling.py │ └── test_utils.py ├── models │ ├── __init__.py │ ├── kernels │ │ ├── __init__.py │ │ ├── test_categorical.py │ │ ├── test_contextual.py │ │ ├── test_downsampling.py │ │ ├── test_exponential_decay.py │ │ ├── test_infinite_width_bnn.py │ │ ├── test_linear_truncated_fidelity.py │ │ ├── test_orthogonal_additive_kernel.py │ │ └── test_positive_index.py │ ├── likelihoods │ │ └── test_pairwise_likelihood.py │ ├── test_approximate_gp.py │ ├── test_contextual.py │ ├── test_contextual_multioutput.py │ ├── test_cost.py │ ├── test_deterministic.py │ ├── test_ensemble.py │ ├── test_fully_bayesian.py │ ├── test_fully_bayesian_multitask.py │ ├── test_gp_regression.py │ ├── test_gp_regression_fidelity.py │ ├── test_gp_regression_mixed.py │ ├── test_gpytorch.py │ ├── test_heterogeneous_mtgp.py │ ├── test_higher_order_gp.py │ ├── test_latent_kronecker_gp.py │ ├── test_map_saas.py │ ├── test_model.py │ ├── test_model_list_gp_regression.py │ ├── test_multitask.py │ ├── test_multitask_conditional_kernel.py │ ├── test_pairwise_gp.py │ ├── test_relevance_pursuit.py │ ├── transforms │ │ ├── test_factory.py │ │ ├── test_input.py │ │ ├── test_outcome.py │ │ └── test_utils.py │ └── utils │ │ ├── __init__.py │ │ ├── test_assorted.py │ │ ├── test_gpytorch_modules.py │ │ └── test_inducing_point_allocators.py ├── optim │ ├── __init__.py │ ├── closures │ │ ├── __init__.py │ │ ├── test_core.py │ │ └── test_model_closures.py │ ├── test_batched_lbfgs_b.py │ ├── test_core.py │ ├── test_fit.py │ ├── test_homotopy.py │ ├── test_initializers.py │ ├── test_numpy_converter.py │ ├── test_optimize.py │ ├── test_optimize_mixed.py │ ├── test_parameter_constraints.py │ ├── test_stopping.py │ └── utils │ │ ├── __init__.py │ │ ├── test_acquisition_utils.py │ │ ├── test_common.py │ │ ├── test_model_utils.py │ │ ├── test_numpy_utils.py │ │ └── test_timeout.py ├── posteriors │ ├── __init__.py │ ├── test_deterministic.py │ ├── test_ensemble.py │ ├── test_gpytorch.py │ ├── test_higher_order.py │ ├── test_multitask.py │ ├── test_posterior.py │ ├── test_posteriorlist.py │ ├── test_torch_posterior.py │ └── test_transformed.py ├── sampling │ ├── __init__.py │ ├── pathwise │ │ ├── __init__.py │ │ ├── features │ │ │ ├── __init__.py │ │ │ ├── test_generators.py │ │ │ └── test_maps.py │ │ ├── test_paths.py │ │ ├── test_posterior_samplers.py │ │ ├── test_prior_samplers.py │ │ ├── test_update_strategies.py │ │ └── test_utils.py │ ├── test_base.py │ ├── test_deterministic.py │ ├── test_get_sampler.py │ ├── test_index_sampler.py │ ├── test_list_sampler.py │ ├── test_normal.py │ ├── test_pairwise_sampler.py │ ├── test_qmc.py │ └── test_stochastic_samplers.py ├── test_cross_validation.py ├── test_cuda.py ├── test_end_to_end.py ├── test_fit.py ├── test_functions │ ├── __init__.py │ ├── test_base.py │ ├── test_multi_fidelity.py │ ├── test_multi_objective.py │ ├── test_multi_objective_multi_fidelity.py │ ├── test_sensitivity_analysis.py │ └── test_synthetic.py ├── test_logging.py ├── test_settings.py ├── test_utils │ └── test_mock.py └── utils │ ├── __init__.py │ ├── multi_objective │ ├── __init__.py │ ├── box_decompositions │ │ ├── __init__.py │ │ ├── test_box_decomposition.py │ │ ├── test_box_decomposition_list.py │ │ ├── test_dominated.py │ │ ├── test_non_dominated.py │ │ └── test_utils.py │ ├── test_hypervolume.py │ ├── test_optimize.py │ ├── test_pareto.py │ └── test_scalarization.py │ ├── probability │ ├── __init__.py │ ├── test_bvn.py │ ├── test_lin_ess.py │ ├── test_linalg.py │ ├── test_mvnxpb.py │ ├── test_truncated_multivariate_normal.py │ ├── test_unified_skew_normal.py │ └── test_utils.py │ ├── test_constants.py │ ├── test_constraints.py │ ├── test_containers.py │ ├── test_context_managers.py │ ├── test_datasets.py │ ├── test_dispatcher.py │ ├── test_evaluation.py │ ├── test_feasible_volume.py │ ├── test_low_rank.py │ ├── test_multitask.py │ ├── test_objective.py │ ├── test_rounding.py │ ├── test_safe_math.py │ ├── test_sampling.py │ ├── test_test_helpers.py │ ├── test_testing.py │ ├── test_torch.py │ └── test_transforms.py ├── test_community ├── __init__.py ├── acquisition │ ├── __init__.py │ ├── test_bayesian_active_learning.py │ ├── test_bll_thompson_sampling.py │ ├── test_discretized.py │ ├── test_hentropy_search.py │ ├── test_input_constructors.py │ ├── test_latent_information_gain.py │ ├── test_multi_source.py │ ├── test_rei.py │ └── test_scorebo.py ├── models │ ├── __init__.py │ ├── test_example.py │ ├── test_gp_regression_multisource.py │ ├── test_np_regression.py │ ├── test_prior_fitted_network.py │ ├── test_vbll_helper.py │ └── test_vblls.py ├── posteriors │ ├── test_bll.py │ └── test_riemann.py └── utils │ └── test_stat_dist.py ├── tutorials ├── GIBBON_for_efficient_batch_entropy_search │ └── GIBBON_for_efficient_batch_entropy_search.ipynb ├── Multi_objective_multi_fidelity_BO │ └── Multi_objective_multi_fidelity_BO.ipynb ├── README.md ├── batch_mode_cross_validation │ └── batch_mode_cross_validation.ipynb ├── baxus │ └── baxus.ipynb ├── bo_with_warped_gp │ └── bo_with_warped_gp.ipynb ├── bope │ └── bope.ipynb ├── closed_loop_botorch_only │ └── closed_loop_botorch_only.ipynb ├── compare_mc_analytic_acquisition │ └── compare_mc_analytic_acquisition.ipynb ├── composite_bo_with_hogp │ └── composite_bo_with_hogp.ipynb ├── composite_mtbo │ └── composite_mtbo.ipynb ├── constrained_multi_objective_bo │ └── constrained_multi_objective_bo.ipynb ├── constraint_active_search │ └── constraint_active_search.ipynb ├── cost_aware_bayesian_optimization │ └── cost_aware_bayesian_optimization.ipynb ├── custom_acquisition │ └── custom_acquisition.ipynb ├── custom_model │ └── custom_model.ipynb ├── data │ └── twitter_flash_crash.csv ├── decoupled_mobo │ └── decoupled_mobo.ipynb ├── discrete_multi_fidelity_bo │ └── discrete_multi_fidelity_bo.ipynb ├── fit_model_with_torch_optimizer │ └── fit_model_with_torch_optimizer.ipynb ├── ibnn_bo │ └── ibnn_bo.ipynb ├── information_theoretic_acquisition_functions │ └── information_theoretic_acquisition_functions.ipynb ├── max_value_entropy │ └── max_value_entropy.ipynb ├── meta_learning_with_rgpe │ └── meta_learning_with_rgpe.ipynb ├── multi_fidelity_bo │ └── multi_fidelity_bo.ipynb ├── multi_objective_bo │ └── multi_objective_bo.ipynb ├── one_shot_kg │ └── one_shot_kg.ipynb ├── optimize_stochastic │ └── optimize_stochastic.ipynb ├── optimize_with_cmaes │ └── optimize_with_cmaes.ipynb ├── preference_bo │ └── preference_bo.ipynb ├── pretrained_models │ ├── mnist_cnn.pt │ └── mnist_vae.pt ├── relevance_pursuit_robust_regression │ └── relevance_pursuit_robust_regression.ipynb ├── risk_averse_bo_with_environmental_variables │ └── risk_averse_bo_with_environmental_variables.ipynb ├── risk_averse_bo_with_input_perturbations │ └── risk_averse_bo_with_input_perturbations.ipynb ├── robot │ └── robot.ipynb ├── robust_multi_objective_bo │ └── robust_multi_objective_bo.ipynb ├── saasbo │ └── saasbo.ipynb ├── scalable_constrained_bo │ └── scalable_constrained_bo.ipynb ├── thompson_sampling │ └── thompson_sampling.ipynb ├── turbo_1 │ └── turbo_1.ipynb └── vae_mnist │ └── vae_mnist.ipynb └── website ├── README.md ├── docusaurus.config.js ├── notebooks_community.json ├── package.json ├── sidebars.js ├── src ├── components │ ├── CellOutput.jsx │ ├── DocSidebarNavbarItem.jsx │ ├── LinkButtons.jsx │ └── Plotting.jsx ├── css │ └── customTheme.css ├── pages │ └── index.js └── theme │ └── NavbarItem │ └── ComponentTypes.js ├── static ├── .nojekyll ├── CNAME ├── css │ ├── alabaster.css │ ├── basic.css │ ├── code_block_buttons.css │ └── custom.css ├── img │ ├── botorch.ico │ ├── botorch.png │ ├── botorch_logo_lockup.png │ ├── botorch_logo_lockup.svg │ ├── botorch_logo_lockup_top.png │ ├── botorch_logo_lockup_white.png │ ├── expanding_arrows.svg │ ├── meta_opensource_logo_negative.svg │ ├── oss_logo.png │ ├── puzzle_pieces.svg │ 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