├── .github └── workflows │ └── test.yml ├── .gitignore ├── .nojekyll ├── .vscode └── settings.json ├── Figures.d ├── 11-torch_p040025_1min_3init_2023-04-26_22-37-22_contour_1_2.pdf ├── 11-torch_p040025_1min_3init_2023-04-26_22-37-22_importance.pdf ├── 11-torch_p040025_1min_3init_2023-04-26_22-37-22_progress.pdf ├── 11-torch_s7cfd16_1min_3init_2023-04-26_22-57-45_contour_2_3.pdf ├── 11-torch_s7cfd16_1min_3init_2023-04-26_22-57-45_importance.pdf ├── 11-torch_s7cfd16_1min_3init_2023-04-26_22-57-45_progress.pdf ├── 11-torch_s7cfd16_360min_10init_2023-04-27_07-25-12_contour_0_1.pdf ├── 11-torch_s7cfd16_360min_10init_2023-04-27_07-25-12_contour_0_2.pdf ├── 11-torch_s7cfd16_360min_10init_2023-04-27_07-25-12_contour_0_3.pdf ├── 11-torch_s7cfd16_360min_10init_2023-04-27_07-25-12_contour_0_4.pdf ├── 11-torch_s7cfd16_360min_10init_2023-04-27_07-25-12_contour_1_2.pdf ├── 11-torch_s7cfd16_360min_10init_2023-04-27_07-25-12_contour_1_3.pdf ├── 11-torch_s7cfd16_360min_10init_2023-04-27_07-25-12_contour_1_4.pdf ├── 11-torch_s7cfd16_360min_10init_2023-04-27_07-25-12_contour_2_3.pdf ├── 11-torch_s7cfd16_360min_10init_2023-04-27_07-25-12_contour_2_4.pdf ├── 11-torch_s7cfd16_360min_10init_2023-04-27_07-25-12_contour_3_4.pdf ├── 11-torch_s7cfd16_360min_10init_2023-04-27_07-25-12_importance.pdf ├── 11-torch_s7cfd16_360min_10init_2023-04-27_07-25-12_progress.pdf ├── 12-torch_p040025_360min_20init_2023-05-07_23-36-22_contour_0_1.pdf ├── 12-torch_p040025_360min_20init_2023-05-07_23-36-22_contour_0_2.pdf ├── 12-torch_p040025_360min_20init_2023-05-07_23-36-22_contour_0_3.pdf ├── 12-torch_p040025_360min_20init_2023-05-07_23-36-22_contour_0_4.pdf ├── 12-torch_p040025_360min_20init_2023-05-07_23-36-22_contour_1_2.pdf ├── 12-torch_p040025_360min_20init_2023-05-07_23-36-22_contour_1_3.pdf ├── 12-torch_p040025_360min_20init_2023-05-07_23-36-22_contour_1_4.pdf ├── 12-torch_p040025_360min_20init_2023-05-07_23-36-22_contour_2_3.pdf ├── 12-torch_p040025_360min_20init_2023-05-07_23-36-22_contour_2_4.pdf ├── 12-torch_p040025_360min_20init_2023-05-07_23-36-22_contour_3_4.pdf ├── 12-torch_p040025_360min_20init_2023-05-07_23-36-22_importance.pdf ├── 12-torch_p040025_360min_20init_2023-05-07_23-36-22_progress.pdf ├── 12-torch_p040025_60min_20init_2023-05-07_21-33-26_contour_1_2.pdf ├── 12-torch_p040025_60min_20init_2023-05-07_21-33-26_contour_1_3.pdf ├── 12-torch_p040025_60min_20init_2023-05-07_21-33-26_contour_2_3.pdf ├── 12-torch_p040025_60min_20init_2023-05-07_21-33-26_importance.pdf ├── 12-torch_p040025_60min_20init_2023-05-07_21-33-26_progress.pdf └── 13-torch_s7cfd16_600min_20init_2023-05-05_18-52-19_contour_2_3.pdf ├── LICENSE.txt ├── MANIFEST.in ├── README.md ├── RELEASE_NOTES.txt ├── docs ├── about.md ├── download.md ├── examples.md ├── gen_ref_pages.py ├── hyperparameter-tuning-cookbook.md ├── images │ ├── favicon.png │ ├── plot-progress.png │ ├── spotlogo.png │ └── surrogate-plot.png └── index.md ├── img ├── favicon.png └── spotLogo.png ├── makeSpot.sh ├── mkdocs.yml ├── notebooks ├── 00_spotMinimal.ipynb ├── 00_spotPython_tests.ipynb ├── 00_spotPython_tests_files │ └── figure-html │ │ ├── cell-458-output-2.png │ │ ├── cell-459-output-1.png │ │ └── cell-459-output-2.png ├── 14_spot_ray_hpt_torch_cifar10.ipynb ├── 31_spot_lightning_csv.ipynb ├── ch10_local.ipynb ├── dagstuhl │ ├── evaluation_spot.qmd │ ├── spot_michalewicz.json │ ├── spot_rosen.json │ ├── spot_sk_matern_michalewicz_10d.ipynb │ ├── spot_sk_matern_michalewicz_10d_30repeats.ipynb │ ├── spot_sk_matern_rosenbrock_6d.ipynb │ └── spot_sk_matern_rosenbrock_6d_30repeats.ipynb ├── data.json ├── data │ ├── spotPython │ │ ├── data.csv │ │ └── data.pkl │ ├── synth_friedman_drift_train168_val10000.csv │ └── torch │ │ └── model_spot_trained.pt ├── db_dicts │ └── spotriver_db_dict.json ├── figures │ ├── 12-torch_p040025_1min_5init_2023-06-07_19-09-30_contour_0_1.png │ ├── 14-torch_maans05_60min_20init_2023-06-08_10-52-59_contour_0_1.png │ ├── 14-torch_maans05_60min_20init_2023-06-08_10-52-59_importance.png │ ├── 14-torch_maans05_60min_20init_2023-06-08_10-52-59_progress.png │ ├── 14-torch_p040025_10min_5init_2023-06-07_12-41-06_contour_0_1.png │ ├── 14-torch_p040025_10min_5init_2023-06-07_12-41-06_progress.png │ ├── 14-torch_p040025_10min_5init_2023-06-07_12-41-06_tensorboard_01.png │ ├── 14-torch_p040025_10min_5init_2023-06-07_12-41-06_tensorboard_02.png │ ├── 29-torch_bartz09_1min_5init_2023-06-24_21-45-17_importance.png │ ├── 29-torch_bartz09_1min_5init_2023-06-24_21-45-17_progress.png │ ├── figures14-torch_maans03_60min_10init_2023-05-19_16-34-33_contour_0_1.png │ ├── figures14-torch_maans03_60min_10init_2023-05-19_16-34-33_contour_0_3.png │ ├── figures14-torch_maans03_60min_10init_2023-05-19_16-34-33_contour_0_4.png │ ├── figures14-torch_maans03_60min_10init_2023-05-19_16-34-33_contour_1_3.png │ ├── figures14-torch_maans03_60min_10init_2023-05-19_16-34-33_contour_1_4.png │ ├── figures14-torch_maans03_60min_10init_2023-05-19_16-34-33_contour_3_4.png │ ├── figures14-torch_maans03_60min_10init_2023-05-19_16-34-33_importance.png │ ├── figures14-torch_maans03_60min_10init_2023-05-19_16-34-33_progress.png │ ├── figures14-torch_maans03_60min_20init_2023-05-27_23-10-01_parallel.png │ ├── figures24-torch_bartz09_10min_20init_2023-06-06_22-50-23_contour_0_3.png │ ├── figures24-torch_bartz09_10min_20init_2023-06-06_22-50-23_importance.png │ ├── figures24-torch_bartz09_10min_20init_2023-06-06_22-50-23_parallel.png │ ├── figures24-torch_bartz09_10min_20init_2023-06-06_22-50-23_progress.png │ ├── spotModel.graffle │ ├── spotModel.pdf │ ├── spotModel.png │ ├── tensorboard_0.png │ ├── tensorboard_1.png │ ├── tensorboard_hdparams.png │ └── tensorboard_parallel.png ├── hyperdict │ └── user_hyper_dict.json ├── nystroem-demo_files │ ├── figure-html │ │ ├── cell-4-output-1.png │ │ ├── cell-5-output-1.png │ │ ├── cell-6-output-1.png │ │ ├── nystroem-2d-output-1.png │ │ └── nystroem-scaling-1d-output-1.png │ └── libs │ │ ├── bootstrap │ │ ├── bootstrap-d6a003b94517c951b2d65075d42fb01b.min.css │ │ ├── bootstrap-icons.css │ │ ├── bootstrap-icons.woff │ │ └── bootstrap.min.js │ │ ├── clipboard │ │ └── clipboard.min.js │ │ └── quarto-html │ │ ├── anchor.min.js │ │ ├── axe │ │ └── axe-check.js │ │ ├── popper.min.js │ │ ├── quarto-syntax-highlighting-7b89279ff1a6dce999919e0e67d4d9ec.css │ │ ├── quarto.js │ │ ├── tabsets │ │ └── tabsets.js │ │ ├── tippy.css │ │ └── tippy.umd.min.js ├── spot_CH10_HATR_experiment.pickle ├── spot_ackley_100d.ipynb ├── spot_aquisition_mm_rosenbrock_6d.ipynb ├── spot_aquisition_random_rosenbrock_2d.ipynb ├── spot_aquisition_random_rosenbrock_6d.ipynb ├── spot_brute_ackley_100d.ipynb ├── spot_michalewicz.json ├── spot_michalewicz_10d.ipynb ├── spot_rosen.json ├── spot_rosenbrock_6d.ipynb ├── spot_sk_ackley_100d.ipynb ├── spot_sk_matern_ackley_100d.ipynb ├── spot_sk_matern_michalewicz_10d.ipynb ├── spot_sk_matern_michalewicz_10d_30repeats.ipynb ├── spot_sk_matern_rosenbrock_6d.ipynb ├── spot_sk_matern_rosenbrock_6d_30repeats.ipynb ├── spot_sk_matern_rosenbrock_6d_30repeats.qmd ├── spot_sk_michalewicz_10d.ipynb ├── spot_sk_rosenbrock_6d.ipynb └── testKriging.ipynb ├── pyproject.toml ├── remote └── client.py ├── src └── spotpython │ ├── budget │ └── ocba.py │ ├── build │ ├── __init__.py │ ├── kriging.py │ └── surrogates.py │ ├── data │ ├── base.py │ ├── california.py │ ├── california_housing.py │ ├── csvdataset.py │ ├── data.csv │ ├── data.pkl │ ├── diabetes.py │ ├── friedman.py │ ├── lightcrossvalidationdatamodule.py │ ├── lightdatamodule.py │ ├── manydataset.py │ ├── mnistdatamodule.py │ ├── pkldataset.py │ ├── torchdata.py │ └── vbdp.py │ ├── design │ ├── __init__.py │ ├── clustered.py │ ├── designs.py │ ├── factorial.py │ ├── grid.py │ ├── poor.py │ ├── random.py │ ├── sobol.py │ ├── spacefilling.py │ └── utils.py │ ├── fun │ ├── __init__.py │ ├── hyperlight.py │ ├── hypersklearn.py │ ├── hypertorch.py │ ├── mohyperlight.py │ ├── multiobjectivefunctions.py │ ├── objectivefunctions.py │ └── xai_hyperlight.py │ ├── gp │ ├── covar.py │ ├── distances.py │ ├── functions.py │ ├── gp.py │ ├── gp_sep.py │ ├── likelihood.py │ ├── linalg.py │ ├── lite.py │ ├── matrix.py │ ├── regressor.py │ └── util.py │ ├── hyperdict │ ├── light_hyper_dict.json │ ├── light_hyper_dict.py │ ├── sklearn_hyper_dict.json │ ├── sklearn_hyper_dict.py │ ├── torch_hyper_dict.json │ └── torch_hyper_dict.py │ ├── hyperparameters │ ├── architecture.py │ ├── categorical.py │ ├── listgenerator.py │ ├── optimizer.py │ └── values.py │ ├── light │ ├── classification │ │ ├── netlightbasemapk.py │ │ └── nn_funnel_classifier.py │ ├── cnn │ │ ├── googlenet.py │ │ ├── inceptionblock.py │ │ └── netcnnbase.py │ ├── cvmodel.py │ ├── litmodel.py │ ├── loadmodel.py │ ├── predictmodel.py │ ├── regression │ │ ├── __init__.py │ │ ├── netlightregression.py │ │ ├── nn_condnet_regressor.py │ │ ├── nn_funnel_regressor.py │ │ ├── nn_linear_regressor.py │ │ ├── nn_many_to_many_gru_regressor.py │ │ ├── nn_many_to_many_lstm_regressor.py │ │ ├── nn_many_to_many_rnn_regressor.py │ │ ├── nn_resnet_regressor.py │ │ ├── nn_transformer_regressor.py │ │ ├── pos_enc.py │ │ ├── rnnlightregression.py │ │ └── transformerlightregression.py │ ├── testmodel.py │ ├── trainmodel.py │ └── transformer │ │ ├── attention.py │ │ ├── encoder.py │ │ ├── encoderblock.py │ │ ├── multiheadattention.py │ │ ├── positionalEncoding.py │ │ ├── positionalEncodingBasic.py │ │ ├── skiplinear.py │ │ └── transformerlightpredictor.py │ ├── mo │ ├── functions.py │ ├── pareto.py │ └── plot.py │ ├── pinns │ ├── nn │ │ └── fcn.py │ ├── plot │ │ └── result.py │ └── solvers.py │ ├── plot │ ├── contour.py │ ├── importance.py │ ├── ts.py │ ├── utils.py │ ├── validation.py │ ├── xai.py │ └── xy.py │ ├── sklearn │ └── traintest.py │ ├── spot │ ├── __init__.py │ └── spot.py │ ├── surrogate │ ├── functions │ │ ├── cd_data.csv │ │ └── forr08a.py │ ├── kernels.py │ ├── kriging.py │ ├── kriging_basic.py │ ├── kriging_ny.py │ └── plot.py │ ├── torch │ ├── activation.py │ ├── cosinewarmupcheduler.py │ ├── dataframedataset.py │ ├── dimensions.py │ ├── mapk.py │ ├── netcifar10.py │ ├── netcore.py │ ├── netfashionMNIST.py │ ├── netregression.py │ ├── netvbdp.py │ └── traintest.py │ ├── uc │ └── plot.py │ └── utils │ ├── aggregate.py │ ├── classes.py │ ├── compare.py │ ├── convert.py │ ├── device.py │ ├── eda.py │ ├── effects.py │ ├── file.py │ ├── init.py │ ├── linalg.py │ ├── math.py │ ├── metrics.py │ ├── misc.py │ ├── numpy2json.py │ ├── optimize.py │ ├── parallel.py │ ├── pca.py │ ├── preprocess.py │ ├── progress.py │ ├── repair.py │ ├── sampling.py │ ├── scaler.py │ ├── seed.py │ ├── split.py │ ├── stats.py │ ├── tensorboard.py │ ├── time.py │ └── transform.py ├── test ├── test_ackley.py ├── test_add_core_model_to_fun_control.py ├── test_aggregate_mean_var.py ├── test_apply_penaly_NA.py ├── test_assign_values.py ├── test_bestlh.py ├── test_branin.py ├── test_build_Psi.py ├── test_build_Psi_matrix.py ├── test_build_U.py ├── test_build_psi_vec.py ├── test_build_psi_vector.py ├── test_calculate_split.py ├── test_california_housing.py ├── test_check_X_shape.py ├── test_check_identical_columns_and_rows.py ├── test_chg.py ├── test_compare2sklearn.py ├── test_convert_keys.py ├── test_csv_dataset.py ├── test_csvdataset.py ├── test_design_utils.py ├── test_effects.py ├── test_evaluate_design_matrix.py ├── test_evaluate_new_X.py ├── test_evaluate_new_solutions.py ├── test_extract_linear_dims.py ├── test_fcn.py ├── test_fit_full.py ├── test_fit_kriging.py ├── test_fit_n.py ├── test_fit_surrogate.py ├── test_forr08a.py ├── test_fullfactorial.py ├── test_fun_control_init.py ├── test_fun_wingwt.py ├── test_generate_design.py ├── test_generate_mesh_grid.py ├── test_generate_one_config_from_var_dict.py ├── test_generate_random_point.py ├── test_get_activations.py ├── test_get_all_lm.py ├── test_get_combinations.py ├── test_get_core_model_from_name.py ├── test_get_device.py ├── test_get_dict_with_levels_and_types.py ├── test_get_experiment_name.py ├── test_get_feature_names.py ├── test_get_gradients.py ├── test_get_new_X0.py ├── test_get_new_x0_2.py ├── test_get_one_config_from_X.py ├── test_get_psi_vec_kriging.py ├── test_get_river_core_model_from_name.py ├── test_get_set_shape.py ├── test_get_spot_attributes_as_df.py ├── test_get_spot_tensorboard_path.py ├── test_get_tuned_architecture.py ├── test_get_var_name.py ├── test_get_vars_from_formula.py ├── test_gpsep.py ├── test_hyper_light_fun.py ├── test_importance_imp.py ├── test_importance_mdi.py ├── test_importance_plot.py ├── test_infill.py ├── test_initialize_design.py ├── test_initialize_design_matrix.py ├── test_is_any.py ├── test_iterate_dict_values.py ├── test_jd.py ├── test_kernel_cross.py ├── test_kriging_initialize_variables.py ├── test_kriging_intialize_matrices.py ├── test_kriging_set_variable_types.py ├── test_light_data_module.py ├── test_light_data_module_scaler.py ├── test_light_trainer.py ├── test_lightdatamodule.py ├── test_lightdatamodule_class.py ├── test_lightdatamodule_with_setup.py ├── test_likelihood.py ├── test_likelihood_exact.py ├── test_likelihood_full.py ├── test_likelihood_kriging.py ├── test_likelihood_nystrom.py ├── test_likelihood_surrogate.py ├── test_many_to_many_gru.py ├── test_many_to_many_lstm.py ├── test_many_to_many_rnn.py ├── test_math.py ├── test_max_likelihood_full.py ├── test_maxlikelihood_kriging.py ├── test_metrics_sign.py ├── test_michalewicz.py ├── test_mm.py ├── test_mmlhs.py ├── test_mmphi.py ├── test_mmsort.py ├── test_mo2so.py ├── test_mo_repeats.py ├── test_multiprocess.py ├── test_nat_to_cod.py ├── test_net_light_regression_class.py ├── test_nn_linear_regressor.py ├── test_nystrom_setup.py ├── test_ocba.py ├── test_optimizer_handler.py ├── test_oscillatorb.py ├── test_parallel_evaluate_row.py ├── test_pareto.py ├── test_part_corr.py ├── test_perturb.py ├── test_phisort.py ├── test_pkldataset.py ├── test_plot_3d_contour.py ├── test_plot_coeff_vs_pvals.py ├── test_plot_coeff_vs_pvals_by_included.py ├── test_plot_progress.py ├── test_plot_result.py ├── test_pred_exact_full.py ├── test_pred_nystrom.py ├── test_predict_full.py ├── test_preprocess.py ├── test_process_z00.py ├── test_propose_mmphi.py ├── test_remove_nan.py ├── test_repair_non_numeric.py ├── test_repeats.py ├── test_return_conf_list_from_var_dict.py ├── test_rlh.py ├── test_rosenbrock.py ├── test_run.py ├── test_sampling_mmphi_intensive.py ├── test_sampling_mmphi_update.py ├── test_save_and_load_experiment.py ├── test_save_and_load_result.py ├── test_save_experiment.py ├── test_scaler.py ├── test_selectNew().py ├── test_select_distant_points.py ├── test_select_new_x.py ├── test_set_de_bounds.py ├── test_set_hyperparameter.py ├── test_set_int_hyperparameter_values.py ├── test_show_progress.py ├── test_split_data.py ├── test_spot.py ├── test_spot_2.py ├── test_spot_chg.py ├── test_spot_copy_from.py ├── test_spot_design_setup.py ├── test_spot_evaluate_initial_design.py ├── test_spot_fit_surrogate.py ├── test_spot_full_run.py ├── test_spot_generate_design.py ├── test_spot_generate_random_point.py ├── test_spot_get_counter.py ├── test_spot_get_importance.py ├── test_spot_get_new_X0.py ├── test_spot_get_spot_attributes_as_df.py ├── test_spot_get_success_rate.py ├── test_spot_handle_acquistion_failure.py ├── test_spot_increment_counter.py ├── test_spot_infill.py ├── test_spot_initialize_design.py ├── test_spot_initialize_design_matrix.py ├── test_spot_mo2so.py ├── test_spot_optimizer_setup.py ├── test_spot_run.py ├── test_spot_run_1.py ├── test_spot_save_experiment.py ├── test_spot_save_result.py ├── test_spot_set_additional_attributes.py ├── test_spot_set_bounds.py ├── test_spot_set_counter.py ├── test_spot_set_de_bounds.py ├── test_spot_set_fun.py ├── test_spot_set_var_name.py ├── test_spot_set_var_type.py ├── test_spot_store_mo.py ├── test_spot_surrogate_control_setup.py ├── test_spot_surrogate_setup.py ├── test_spot_to_all_dim.py ├── test_spot_to_all_dim_if_needed.py ├── test_spot_to_red_dim.py ├── test_spot_update_design.py ├── test_spot_update_stats.py ├── test_spot_update_success_rate.py ├── test_spot_write_initial_tensorboard_log.py ├── test_subset.py ├── test_suggest_new.py ├── test_suggest_new_X.py ├── test_tensorboard_start_stop.py ├── test_tensorboard_write_log.py ├── test_testmodel.py ├── test_to_all_dim.py ├── test_to_red.py ├── test_torch_minmax_scaler.py ├── test_torch_standard_scaler.py ├── test_trainmodel.py ├── test_transform_dataset.py ├── test_transform_hyper_parameter_values.py ├── test_transform_multby2.py ├── test_update_design.py ├── test_update_stats.py ├── test_update_success_rate.py ├── test_update_surrogate.py ├── test_utils_mapt_to_original_scale.py ├── test_values.py ├── test_values_2.py ├── test_woodbury_solve.py ├── test_xai.py └── test_xai_consistency.py └── tox.ini 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