Heat capacity @ 305K - meV/atom - Cv_305

ARFS Top features

ARFS selected descriptors

---

Correlation analysis

Distance correlation

Dependency graphs

Feature learnability

---

Model performance

5-Fold CV Metrics overview

RF - MATMINER

	train_rmse	test_rmse	train_errors	test_errors	train_r2	test_r2
mean	0.0019	0.00516	0.0011	0.00298	0.99594	0.96972
min	0.0018	0.0042	0.0011	0.0026	0.9954	0.9523
max	0.002	0.0072	0.0011	0.0035	0.9962	0.9773
std	6.32456e-05	0.00108554	0	0.000318748	0.000293939	0.00955707

RF - MATMINER+LOBSTER

	train_rmse	test_rmse	train_errors	test_errors	train_r2	test_r2
mean	0.00194	0.00526	0.00112	0.003	0.99578	0.96848
min	0.0019	0.0044	0.0011	0.0027	0.9952	0.9502
max	0.002	0.0074	0.0012	0.0035	0.9961	0.9766
std	4.89898e-05	0.00113066	4e-05	0.000296648	0.000318748	0.00994111

MODNet - MATMINER

	train_rmse	test_rmse	train_errors	test_errors	train_r2	test_r2
mean	0.00294	0.00372	0.00198	0.0024	0.99018	0.98406
min	0.0025	0.0034	0.0017	0.0022	0.9881	0.9811
max	0.0033	0.004	0.0022	0.0026	0.993	0.9861
std	0.000338231	0.000213542	0.000172047	0.000126491	0.0020721	0.00201653

MODNet - MATMINER+LOBSTER

	train_rmse	test_rmse	train_errors	test_errors	train_r2	test_r2
mean	0.00312	0.00398	0.00206	0.00256	0.9891	0.98162
min	0.0029	0.0033	0.0019	0.0022	0.9875	0.9746
max	0.0034	0.0046	0.0022	0.0029	0.9907	0.9872
std	0.000172047	0.00056	0.00010198	0.000257682	0.00110454	0.00505189

Corrected resampled t-test on 10-fold CV

Summary

	t_stat	p_value	significance_stars	d_av	rel_improvement	percent_folds_improved
RF	-0.0804337	0.531174		-0.00753353	-0.101209	30
MODNet	-0.272374	0.60426		-0.0743237	-1.41787	50

---

Model Explainer

PFI

SHAP

---

Misc

ARFS n-iter convergence checks

MAE/ fold from 10-fold CV

Alternative visual summary of input data for t-test