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docs: fix README signatures, add viz API page, complete study API docs#102

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jc-macdonald merged 3 commits intomainfrom
docs/fix-api-gaps
Apr 17, 2026
Merged

docs: fix README signatures, add viz API page, complete study API docs#102
jc-macdonald merged 3 commits intomainfrom
docs/fix-api-gaps

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@jc-macdonald jc-macdonald commented Apr 17, 2026

This pull request significantly expands the documentation and examples for trade-study workflows, with a particular focus on multi-objective Bayesian optimization, feasibility constraints, new filtering methods, and improved metrics. It introduces new API documentation, adds comprehensive guide sections and usage demonstrations, and updates the example scripts to showcase advanced features like feasibility filtering, weighted-sum filtering, and new quality indicators.

Documentation and Guide Enhancements:

  • Added new sections to the Bayesian and CSTR guides covering constraints, feasibility filtering, weighted-sum filtering, new metrics (energy score, MAE, IGD+), Sobol grid generation, and multi-phase study workflows. These sections include practical code snippets and "What to try next" suggestions. [1] [2] [3] [4] [5] [6]
  • Updated the main documentation index and API references to include new functions: weighted_sum_filter, feasibility_filter, and visualization utilities. [1] [2] [3]

Example Script Improvements (examples/bayesian_study.py):

  • Added new imports and demonstrations for Constraint, feasibility_filter, weighted_sum_filter, hypervolume, and igd_plus. The script now includes functions to showcase each of these features with realistic outputs and explanations. [1] [2] [3] [4] [5]
  • Expanded the scoring and observables to include the energy score and MAE, and updated the scoring logic and output formatting accordingly. [1] [2] [3] [4]

API and Output Consistency:

  • Updated method signatures and usage in the README and example scripts for study.front, study.front_hypervolume, and screen, reflecting changes in their arguments and output formats. [1] [2] [3]

New Features and Demonstrations:

  • Added practical demonstrations of IGD+ computation, feasibility filtering, weighted-sum filtering, Sobol grid generation, and multi-phase study orchestration, making it easier for users to adopt advanced trade-study techniques. [1] [2]

These changes collectively provide much richer guidance and tooling for users performing advanced multi-objective optimization and analysis with the package.

- Fix 4 incorrect call signatures in README quick-start and API
  overview: study.front(phase), study.front_hypervolume(phase, ref),
  hypervolume(front, ref_point, dirs), screen(n_trajectories=)
- Create docs/api/viz.md with mkdocstrings directives for plot_front,
  plot_parallel, plot_scores, plot_calibration
- Add weighted_sum_filter and feasibility_filter to docs/api/study.md
- Add Visualization row to docs/index.md overview table
- Update Study row in index.md to list all 3 filter functions
- Add Visualization entry to mkdocs.yml nav
Bayesian example:
- Add energy score and MAE observables (5 metrics total)
- Add Constraint + feasibility_filter demo (coverage_95 >= 0.90)
- Add weighted_sum_filter demo
- Add IGD+ quality indicator alongside hypervolume
- Add Sobol grid generation (build_grid method='sobol')
- Add Study workflow with summary() and stack()
- Add Phase.scorer override in multi-fidelity section

CSTR example:
- Add Sobol screening (screen method='sobol')
- Add Constraint definitions (min_conversion, max_energy)
- Add progress callback + parallel execution (n_jobs=2)
- Add adaptive phase (Phase grid='adaptive' with optuna)
- Add feasibility_filter phase demo
- Add IGD+ and Study.summary() to results
@jc-macdonald jc-macdonald merged commit 6b52749 into main Apr 17, 2026
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@jc-macdonald jc-macdonald deleted the docs/fix-api-gaps branch April 17, 2026 15:41
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