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Pareto optimization #475

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Pareto optimization #475

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AdrianSosic
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This PR finally brings Pareto optimization via the new ParetoObjective class, together with an example comparing Pareto vs. single target optimization for a simple pair of synthetic targets.

Note: Support is currently limited to maximization and minimization targets. Match targets will follow but require a refactoring of the corresponding target transformation mechanism.

@AdrianSosic AdrianSosic added the new feature New functionality label Feb 3, 2025
@AdrianSosic AdrianSosic self-assigned this Feb 3, 2025
@@ -37,7 +37,8 @@ The following provides a non-comprehensive overview:

- 🛠️ Custom parameter encodings: Improve your campaign with domain knowledge
- 🧪 Built-in chemical encodings: Improve your campaign with chemical knowledge
- 🎯 Single and multiple targets with min, max and match objectives
- 🎯 Numerical and binary targets with min, max and match objectives
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@Scienfitz: Had to drop the multiple from this line in order to make room for the new Pareto feature. Feel free to adjust/improve

examples/Multi_Target/pareto.py Outdated Show resolved Hide resolved
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