[Pyomo.DoE] Add simultaneous design of multiple experiments - #3866
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smondal13 wants to merge 218 commits into
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[Pyomo.DoE] Add simultaneous design of multiple experiments#3866smondal13 wants to merge 218 commits into
smondal13 wants to merge 218 commits into
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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
… reflect deterministic behavior
blnicho
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Jun 3, 2026
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@smondal13 here is my next set of comments. I have 2 more files to look at.
Co-authored-by: Bethany Nicholson <blnicho@users.noreply.github.com>
… make_ipopt_solver directly
Co-authored-by: Bethany Nicholson <blnicho@users.noreply.github.com>
- Update the square-solve stub helper to use direct solver attribute access so the merged test helper matches the latest upstream cleanup. - Preserve the local DOE error-test change that calls make_ipopt_solver() directly, which keeps the solver setup explicit and avoids the extra wrapper.
…zation test with deterministic FIM input
…g test with fixed expected points
Add tests for `pseudo-A` initiation in grey_box
…d objective block
smondal13
commented
Jun 9, 2026
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| egb_block.outputs[self._grey_box_output_name()].set_value(float(output_value)) | ||
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| def _initialize_standard_objective_block(self, block, fim_np, parameter_names): |
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@blnicho I have removed _initialize_cholesky_from_fim() and consolidated the shared FIM-derived initialization updates into _initialize_standard_objective_block(). Both the single- and multi-experiment designs were doing the same initialization work (L, L_inv, fim_inv, cov_trace, determinant/pseudo-trace state), so consolidating that logic avoids duplication and reduces the risk of the two paths drifting out of sync.
…etric matrices so that complex datatype is not created.
…for symmetric matrices so that complex datatype is not created." This reverts commit 0aa6173.
…linalg.eigh` for symmetric matrices to ensure real dtype and avoid complex eigenvalues. Update tests to handle near-singular FIM cases with a small tolerance.
…r eigenvalue comparison.
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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:mainRemove before merging
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