Heat capacity @ 705K - meV/atom - Cv_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	0.0007	0.00206	0.0003	0.00094	0.99582	0.95912
min	0.0006	0.0012	0.0003	0.0007	0.9945	0.8895
max	0.0008	0.004	0.0003	0.0015	0.9969	0.9854
std	6.32456e-05	0.00103073	0	0.000293939	0.000767854	0.0365099

RF - MATMINER+LOBSTER

	train_rmse	test_rmse	train_errors	test_errors	train_r2	test_r2
mean	0.0007	0.002	0.0003	0.00096	0.99588	0.96228
min	0.0006	0.0012	0.0003	0.0007	0.9953	0.9052
max	0.0008	0.0037	0.0003	0.0015	0.997	0.9848
std	6.32456e-05	0.000918695	0	0.00028	0.000604649	0.0303504

MODNet - MATMINER

	train_rmse	test_rmse	train_errors	test_errors	train_r2	test_r2
mean	0.00142	0.00166	0.00088	0.00094	0.98272	0.97552
min	0.0013	0.0012	0.0008	0.0008	0.9756	0.9595
max	0.0017	0.0021	0.0009	0.0011	0.9857	0.9858
std	0.000146969	0.000349857	4e-05	0.00012	0.00367445	0.00918682

MODNet - MATMINER+LOBSTER

	train_rmse	test_rmse	train_errors	test_errors	train_r2	test_r2
mean	0.00154	0.00184	0.00094	0.00102	0.97948	0.9703
min	0.0013	0.0013	0.0008	0.0007	0.9724	0.955
max	0.0018	0.0024	0.0011	0.0013	0.9866	0.9837
std	0.000185472	0.000449889	0.00010198	0.000203961	0.00535291	0.0124337

Corrected resampled t-test on 10-fold CV

Summary

	t_stat	p_value	significance_stars	d_av	rel_improvement	percent_folds_improved
RF	0.318656	0.378629		0.0228675	0.651637	40
MODNet	0.0336202	0.486957		0.0136419	0.30569	40

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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