Vibrational entropy @ 705K - meV/atom - S_705

ARFS Top features

ARFS selected descriptors

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Correlation analysis

Distance correlation

Dependency graphs

Feature learnability

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Model performance

5-Fold CV Metrics overview

RF - MATMINER

	train_rmse	test_rmse	train_errors	test_errors	train_r2	test_r2
mean	0.00886	0.02418	0.0066	0.01812	0.99568	0.96744
min	0.0088	0.021	0.0065	0.0161	0.9955	0.9627
max	0.009	0.0258	0.0067	0.0195	0.9958	0.9749
std	8e-05	0.00175545	8.94427e-05	0.00118051	0.000116619	0.00408098

RF - MATMINER+LOBSTER

	train_rmse	test_rmse	train_errors	test_errors	train_r2	test_r2
mean	0.00892	0.0244	0.00672	0.01826	0.99562	0.96688
min	0.0088	0.0216	0.0066	0.0164	0.9955	0.9628
max	0.009	0.0262	0.0068	0.0197	0.9957	0.9735
std	7.48331e-05	0.0016334	7.48331e-05	0.00119264	7.48331e-05	0.003603

MODNet - MATMINER

	train_rmse	test_rmse	train_errors	test_errors	train_r2	test_r2
mean	0.00932	0.01436	0.00696	0.0107	0.99514	0.98842
min	0.0081	0.0126	0.0062	0.0093	0.9944	0.9854
max	0.01	0.0159	0.0074	0.0119	0.9962	0.991
std	0.000775629	0.00132	0.000475815	0.00100598	0.00072	0.00232241

MODNet - MATMINER+LOBSTER

	train_rmse	test_rmse	train_errors	test_errors	train_r2	test_r2
mean	0.01008	0.01464	0.0075	0.0109	0.99434	0.98798
min	0.009	0.0131	0.0067	0.0097	0.9929	0.986
max	0.0115	0.0159	0.0084	0.0116	0.9955	0.9903
std	0.000863481	0.000945727	0.000596657	0.000672309	0.000960417	0.00175773

Corrected resampled t-test on 10-fold CV

Summary

	t_stat	p_value	significance_stars	d_av	rel_improvement	percent_folds_improved
RF	-0.417521	0.656959		-0.0519249	-0.408832	20
MODNet	0.817179	0.217462		0.268921	3.25824	60

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Model Explainer

PFI

SHAP

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Misc

ARFS n-iter convergence checks

MAE/ fold from 10-fold CV

Alternative visual summary of input data for t-test