Data Fits¶
Libraries for selecting and configuring the fitting procedure.
- Data Fits
DataFitDataFit.batch_idsDataFit.batchesDataFit.check_initial_guesses()DataFit.data_fit_runnerDataFit.explicit_initial_guessesDataFit.get_batch()DataFit.get_fit_results()DataFit.initial_guess_distributionsDataFit.initial_guess_samplerDataFit.is_parentDataFit.job_idsDataFit.max_batch_sizeDataFit.multistartsDataFit.num_batchesDataFit.objective_functionDataFit.plot_fit_results()DataFit.plot_sampler_results()DataFit.plot_trace()DataFit.process_cost()DataFit.process_initial_guess_distributions()DataFit.process_objectives()DataFit.process_optimizer()DataFit.run()DataFit.run_batch()DataFit.sampler_confidence_intervals()DataFit.set_initial_guesses()DataFit.setup()DataFit.timeseries_preprocessing()
ArrayDataFitCostLoggerCostLogger.argmin_costs()CostLogger.argsort_costs()CostLogger.childrenCostLogger.clear_axes()CostLogger.fig_axesCostLogger.finish()CostLogger.finishedCostLogger.is_parentCostLogger.log()CostLogger.low_memoryCostLogger.multiprocessingCostLogger.num_jobsCostLogger.parentCostLogger.plot()CostLogger.plot_everyCostLogger.plot_flagCostLogger.plot_refresh()CostLogger.plot_variablesCostLogger.print_everyCostLogger.probabilisticCostLogger.reset()CostLogger.set_datafit_attributes()CostLogger.set_low_memory()CostLogger.set_multiprocessing()CostLogger.set_parameters()CostLogger.set_probabilistic()CostLogger.show_plot_iterativeCostLogger.show_print_iterativeCostLogger.spawn_children()CostLogger.staircase_running_argmin()CostLogger.start()CostLogger.timer
- Objectives
BaseObjectiveBaseObjective.build()BaseObjective.can_calculate_initial_state_of_chargeBaseObjective.complete()BaseObjective.create_validation_plots()BaseObjective.create_validation_plots_json()BaseObjective.default_on_failureBaseObjective.default_options()BaseObjective.default_validation_plot_typesBaseObjective.has_simulation_experimentBaseObjective.prepare_validation_results()BaseObjective.remove_model_eventsBaseObjective.reset_callbacks()BaseObjective.to_config()
SimulationObjective- Open-circuit potential objectives
- Open-circuit potential objectives with MSMR model
- Objectives
- Utility functions
get_msmr_params_for_fit()default_msmr_bounds_function()get_msmr_capacity_params_for_fit()default_msmr_capacity_bounds_function()msmr_half_cell_initial_guess()get_initial_capacity_and_lower_excess_capacity()get_theta_half_cell_msmr()get_q_half_cell_msmr()plot_each_species_msmr()plot_half_cell_ocp()plot_full_cell_ocv()msmr_Qj_to_Xj()msmr_Xj_to_Qj()msmr_sort_params()
- Callbacks
- Resistance objective
- Pulse objective
- Current-driven objective
- EIS objective
- Calendar ageing objective
- Cycle ageing objective
- Models
- Model Classes
MSMRHalfCellModelMSMRFullCellModelLumpedSPMRLumpedSPMeRSingleElectrodeLumpedSPMRSingleElectrodeLumpedSPMR.custom_set_initial_state()SingleElectrodeLumpedSPMR.default_geometrySingleElectrodeLumpedSPMR.default_spatial_methodsSingleElectrodeLumpedSPMR.default_submesh_typesSingleElectrodeLumpedSPMR.default_var_ptsSingleElectrodeLumpedSPMR.get_initial_soc_from_voltage()SingleElectrodeLumpedSPMR.plot_voltage_components()
ECM
- Submodules
- Model Classes
- Objective Functions
- Main Class
AugmentedObjectiveFunctionAugmentedObjectiveFunction.add_regularization()AugmentedObjectiveFunction.combine()AugmentedObjectiveFunction.costAugmentedObjectiveFunction.eq_constraintsAugmentedObjectiveFunction.evaluate_from_outputs()AugmentedObjectiveFunction.evaluate_full()AugmentedObjectiveFunction.evaluate_inputs_and_outputsAugmentedObjectiveFunction.finalize_output()AugmentedObjectiveFunction.gradient()AugmentedObjectiveFunction.hessian()AugmentedObjectiveFunction.ineq_constraintsAugmentedObjectiveFunction.initialize_output()AugmentedObjectiveFunction.jacobian()AugmentedObjectiveFunction.likelihood()AugmentedObjectiveFunction.penaltiesAugmentedObjectiveFunction.priorsAugmentedObjectiveFunction.residuals()AugmentedObjectiveFunction.scalar_outputAugmentedObjectiveFunction.scalarize()AugmentedObjectiveFunction.set_cost()AugmentedObjectiveFunction.set_eq_constraints()AugmentedObjectiveFunction.set_evaluate_inputs_and_outputs()AugmentedObjectiveFunction.set_ineq_constraints()AugmentedObjectiveFunction.set_penalties()AugmentedObjectiveFunction.set_priors()AugmentedObjectiveFunction.set_scalar_output()
- Submodules
- Cost Functions
- Base Classes
ObjectiveFunctionObjectiveFunction.__call__()ObjectiveFunction.apply_weights()ObjectiveFunction.array_outputObjectiveFunction.combine()ObjectiveFunction.combined_weights()ObjectiveFunction.finalize_output()ObjectiveFunction.get_objective_names()ObjectiveFunction.nan_values()ObjectiveFunction.objective_namesObjectiveFunction.objective_weights()ObjectiveFunction.scalar_outputObjectiveFunction.scalarize()ObjectiveFunction.set_objective_names()ObjectiveFunction.set_scalar_output()ObjectiveFunction.supports_array_outputObjectiveFunction.supports_scalar_outputObjectiveFunction.to_config()ObjectiveFunction.variable_weights()
ErrorFunction
- Error Functions
- Multi-Cost Functions
- Design Functions
- Base Classes
- Regularizers
- Cost Functions
- Main Class
- Parameter Estimators
ParameterEstimatorParameterEstimator.costParameterEstimator.gradientParameterEstimator.objective_and_gradientParameterEstimator.run()ParameterEstimator.set_bounds()ParameterEstimator.set_data_fit()ParameterEstimator.set_eq_constraints()ParameterEstimator.set_gradient()ParameterEstimator.set_ineq_constraints()ParameterEstimator.set_objective()ParameterEstimator.set_objective_and_gradient()ParameterEstimator.to_config()
Chain
- Optimizers
- Samplers
- Distribution Samplers
- Statistics
DistributionNormalMultivariateNormalMultivariateNormal.argminMultivariateNormal.cholesky_covMultivariateNormal.cholesky_inv_covMultivariateNormal.covMultivariateNormal.evaluate_to_array()MultivariateNormal.evaluate_to_scalar()MultivariateNormal.inv_cholesky_covMultivariateNormal.inv_covMultivariateNormal.meanMultivariateNormal.multivariateMultivariateNormal.ppf()MultivariateNormal.rand()
UniformLogNormalMultivariateLogNormalMultivariateLogNormal.argminMultivariateLogNormal.cdf()MultivariateLogNormal.covMultivariateLogNormal.evaluate_to_array()MultivariateLogNormal.evaluate_to_scalar()MultivariateLogNormal.meanMultivariateLogNormal.multivariateMultivariateLogNormal.pdf()MultivariateLogNormal.ppf()MultivariateLogNormal.rand()
PointMassDirichlet
- Parameter
ParameterParameter.base_parameterParameter.boundsParameter.get_bounds()Parameter.get_initial_guess_distribution()Parameter.get_initial_value()Parameter.initial_guess_distributionParameter.initial_valueParameter.is_transformedParameter.priorParameter.set_bounds()Parameter.set_fitting_scale()Parameter.set_initial_guess_distribution()Parameter.set_prior()Parameter.to_config()Parameter.to_dict()
- Transforms
TransformTransform.base_parameterTransform.boundsTransform.initial_guess_distributionTransform.initial_valueTransform.inverse_transform()Transform.is_monotonic_transform()Transform.is_transformedTransform.priorTransform.to_dict()Transform.transform()Transform.transform_name()Transform.transform_name_recursive()Transform.transform_value()
LogExpLog10Pow10InverseNegateIdentity
- Result
- Callbacks
- Data utilities
load_data_metadata()write_data_metadata()get_current_function_from_data()get_current_steps_from_data()get_time_in_seconds()calculate_dUdQ_cutoff()calculate_dQdU_cutoff()calculate_differential_cutoff_explicit()calculate_differential_cutoff_quantile()calculate_differential_cutoff_peaks()check_ocv_data_format()negative_to_positive_half_cell()positive_to_negative_half_cell()calculate_stoichiometry_data_msmr()generate_msmr_ocp_data()generate_pulse_diffusivity_data_from_csv()