[Pyomo.DoE] Add simultaneous design of multiple experiments#3866
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smondal13 wants to merge 136 commits intoPyomo:mainfrom
Open
[Pyomo.DoE] Add simultaneous design of multiple experiments#3866smondal13 wants to merge 136 commits intoPyomo:mainfrom
smondal13 wants to merge 136 commits intoPyomo:mainfrom
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…`experiment` argument is provided.
…d replace `self.experiment` with `self.experiment_list[0]`. `doe/reactor_example.py` runs successfully.
…sing the `doe/reactor_multi_experiment.py`
…ultiexperiment.py` both for 3 experiments
…etric-uncertainty
…parametric-uncertainty
…nt for `optimize_experiments()` and `compute_FIM()`
… both of sensitivity and optimize_experiments()
…A-opt gave different result for grid and optimization
- Updated the `DesignOfExperiments` class to accept either a single experiment or a list of experiments through the `experiment` parameter, replacing the previous `experiment_list` parameter. - Modified related test cases to reflect this change, ensuring that both single and multiple experiments are handled correctly. - Adjusted error messages and validation checks to align with the new parameter naming. - Ensured backward compatibility by updating all references in the test suite and error handling.
- Add documentation
… add-multiexperiment
- enhance documentation for init_solver usage in multi-experiment optimization
- extend optimize_experiments() to build and initialize grey-box objectives from aggregated scenario FIMs so the multi-experiment API can use the same external-metric path as run_doe(). - relax FIMExternalGreyBox initialization to accept explicit parameter ordering and dense FIM seeds so scenario-level total FIM blocks can reuse the grey-box implementation cleanly. - add DOE build, validation, and greybox solve tests to cover multi-experiment solver routing, unsupported objective checks, and expected Rooney-Biegler results.
…or parameter scenarios
…xperiment optimization
- Cleaned up the DesignOfExperiments class by simplifying reference and current finite difference blocks access. - Updated greybox initialization to streamline the process and ensure proper parameter handling. - Removed outdated tests related to pseudo_trace and other unsupported objectives, ensuring that the greybox path validation is robust. - Added new tests to validate greybox outputs against NumPy computations for all supported objectives. - Enhanced test coverage for multi-experiment scenarios, ensuring that the greybox solver is correctly utilized and that initialization behaves as expected. - Improved assertions in tests to ensure accuracy and clarity in expected outcomes.
…ine access in tests
Add Greybox to multiexperiment
…name result payload field
smondal13
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Mar 30, 2026
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Fixes # .
Summary/Motivation:
This PR adds a new
DesignOfExperiments.optimize_experiments()API inpyomo/contrib/doe/doe.pyto support simultaneous optimization of multiple experiments in one workflow. The motivation is to provide a multi-experiment DoE interface with stronger initialization options, clearer mode handling (template vs. user-initialized experiments), and richer diagnostics/results than the existing single-experiment path.Changes proposed in this PR:
optimize_experiments()for multi-experiment DoE optimization.n_exp.n_expis inferred/validated.initialization_method="lhs") with controls for:sym_break_conssuffix,run_info._DoEResultsJSONEncoderfor numpy/Pyomo-enum values when writingresults_file.Note:
documentation.mdwhich describes the API. This documentation is to help the reviewers to understand the API and will not be merged intoPyomo:mainLegal Acknowledgement
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