MODNet v0.1.12~dev GA hyper opt results

modl-uclouvain / modnet-matbench

Data repository accompanying De Breuck et al., "Robust model benchmarking and bias-imbalance in data-driven materials science: a case study on MODNet"

https://doi.org/10.1088/1361-648X/ac1280

MIT License

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MODNet v0.1.12~dev GA hyper opt results #20

Closed ppdebreuck closed 2 years ago

ppdebreuck commented 2 years ago

This PR contain the latest results of MODNet v0.1.12.dev - using the genetic algorithm (GA) for hyper parameter optimization, i.e. default modnet.hyperopt.FitGenetic instance.

To reproduce the results use hp_strategy = "ga" in matbench_benchmark.

The pickled result files contain an stds field for uncertainty quantification.

ml-evs commented 2 years ago

Just recorded these benchmarks with the draft matbench uncertainty changes, and they look very good 🙃

Going to merge this now and open the PR on matbench. I have recorded the MODNet version as v0.1.12 -- would you be happy to make a release for that soon @ppdebreuck?

ppdebreuck commented 2 years ago

v0.1.12