Add GNN-Based Predictor with DAG Preprocessing - #430

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antotu wants to merge 190 commits into

munich-quantum-toolkit:mainfrom

antotu:gnn-branch

Commits on Aug 19, 2025

added function related to training and for GNN, needed to define GNN and test all done
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Added the gnn part, must be fine-tuned hyper-params, no test
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Removed the barriers in the creation of the DAG
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Commits on Aug 20, 2025

coded tested and fixed, need to add a cross validation module
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Merge branch 'gnn-branch' of https://github.com/antotu/predictor-gnn into gnn-branch
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fixed the problem of the predict_device_for_figure_of_merits
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Hellinger test done: success
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Merge branch 'gnn-branch' of https://github.com/antotu/predictor-gnn into gnn-branch
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Commits on Aug 21, 2025

GNN predictor fixed with optuna and tested
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GNN predictor fixed with optuna and tested
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Modified the tolm for running on the MacOS
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Problems modified TPESampler and not TYPESampler
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Problems modified TPESampler and not TYPESampler
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Problems modified TPESampler and not TYPESampler
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Problems modified TPESampler and not TYPESampler
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Test modified with number of epochs as parameter
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Eliminated trained model
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Changed the test estimated hellinger for windows
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Changed the test estimated hellinger for windows
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Merge branch 'gnn-branch' of https://github.com/antotu/predictor-gnn into gnn-branch
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Changed the test estimated hellinger for windows
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Problem with windows solved eliminating warning
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Commits on Aug 22, 2025

Files modified according suggestion
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Commits on Aug 25, 2025

Commits on Aug 26, 2025

Modified part of helper in order to solve problems code
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Pre-commit has substituted Wille in Will
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Commits on Aug 27, 2025

Update tests/device_selection/test_predictor_ml.py

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first round fixes
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Update src/mqt/predictor/ml/predictor.py

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Update src/mqt/predictor/ml/predictor.py

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Partial modification
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Merge branch 'gnn-branch' of github.com:antotu/predictor-gnn into gnn-branch
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fixed comments repo
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Merge branch 'gnn-branch' of github.com:antotu/predictor-gnn into gnn-branch
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Commits on Aug 28, 2025

Modified the gates accepted
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Modified list
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Commits on Sep 8, 2025

Fixed bug Swap and Cswap gates
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Commits on Sep 12, 2025

Edit for saving memory GPU
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Commits on Oct 6, 2025

Added patience as variable
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Commits on Nov 24, 2025

Updated GNN for predictions
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partial modification guessed by bot
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eliminated italian comments
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eliminated italian comments
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eliminated redundancy torch_clamp
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removed small errors
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Commits on Nov 25, 2025

solved partial errors
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Merge branch 'main' into gnn-branch
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Corrected for the lint
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Merge branch 'gnn-branch' of https://github.com/antotu/predictor-gnn into gnn-branch
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error deprecation warning of a useless library
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error deprecation warning of a useless library
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small error correction
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small error correction
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small error correction
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problem torch_geometric
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problem torch_geometric
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Commits on Nov 26, 2025

problem torch_geometric
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problem torch_geometric
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lightweight import
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lightweight import
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Merge branch 'gnn-branch' of https://github.com/antotu/predictor-gnn into gnn-branch
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lightweight import
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return back
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modified version to solve the warning of deprecation
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Merge branch 'gnn-branch' of https://github.com/antotu/predictor-gnn into gnn-branch
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2cf80d1
modified version to solve the warning of deprecation
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Try to fix error for windows
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fixed some code coverage
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Commits on Nov 27, 2025

Consider also verbose
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Merge branch 'gnn-branch' of https://github.com/antotu/predictor-gnn into gnn-branch
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Consider also verbose
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Merge branch 'gnn-branch' of https://github.com/antotu/predictor-gnn into gnn-branch
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Consider also verbose
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Merge branch 'gnn-branch' of https://github.com/antotu/predictor-gnn into gnn-branch
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Consider adjusted estiamted hellinger distance as regression problem
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Fixed regression
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Fixed regression
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Commits on Nov 28, 2025

Adjusted threshold for test regression
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Fixed some code lines for more clarity
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Merge branch 'main' into gnn-branch
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Modified a comment on test estimated_hellinger_distance
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Merge branch 'gnn-branch' of https://github.com/antotu/predictor-gnn into gnn-branch
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Commits on Dec 8, 2025

Minor fixes
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Minor fixes
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Merge branch 'main' into gnn-branch
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Minor fixes
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Minor fixes
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Commits on Dec 9, 2025

Minor fixes found
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Minor fixes found
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Merge branch 'gnn-branch' of https://github.com/antotu/predictor-gnn into gnn-branch
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Minor fixes found: error in predicting hellinger distance
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Minor fixes found: error in predicting hellinger distance
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Minor fixes found: error in predicting hellinger distance
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Minor modifications
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Merge branch 'gnn-branch' of https://github.com/antotu/predictor-gnn into gnn-branch
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Minor modifications
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Commits on Dec 10, 2025

Minor fixes code and change of libraries
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Minor fixes code and change of libraries
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Reduced ignore on warning, modified doc, and minor fixes
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Modified documentation
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Modified documentation
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Modified documentation
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Modified taking into account to not use .pt for saving dataset
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Modified not using pt for getting the dataset
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Merge branch 'gnn-branch' of https://github.com/antotu/predictor-gnn into gnn-branch
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Modified not using pt for getting the dataset
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Fixes for code rabbit AI
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Merge branch 'gnn-branch' of https://github.com/antotu/predictor-gnn into gnn-branch
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Minor fixes
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Merge branch 'gnn-branch' of https://github.com/antotu/predictor-gnn into gnn-branch
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Minor fixes
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Commits on Dec 11, 2025

Minor fixes
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Commits on Dec 12, 2025

Modified documentation
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Modified tests
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Commits on Dec 16, 2025

Minor modifications
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Merge branch 'main' into gnn-branch
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Commits on Jan 7, 2026

Verbose regression added for code coverage
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Merge branch 'main' into gnn-branch
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Verbose regression added for code coverage
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Merge branch 'gnn-branch' of https://github.com/antotu/predictor-gnn into gnn-branch
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Added multi-class classification
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Test empty circuit DAG
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Fixed minor issue
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Fixed minor issue
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Commits on Jan 8, 2026

Minor fixes
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Commits on Jan 19, 2026

Merge branch 'main' into gnn-branch
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Commits on Jan 20, 2026

Merge branch 'main' into gnn-branch
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