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\begin{table}[t] |
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\centering |
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\small |
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\setlength{\tabcolsep}{4pt} |
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\caption{MAE: NB-corrected one-sided tests (outer folds, $K=5$) on dataset \texttt{boilingpoint}; control \texttt{polyatomic\_polyatomic}. |
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Positive $\Delta$ (competitor $-$ control) favors control. Holm controls FWER.} |
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\label{tab:boilingpoint_nb_compact_mae} |
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\begin{tabularx}{\linewidth}{@{}l S S S S S@{}} |
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\toprule |
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Comparison & {\(\Delta\)MAE} & {$t_{\text{NB}}$} & {CI\(_{\text{low}}\)} & {CI\(_{\text{high}}\)} & {p\(_{\text{Holm}}\)}\\ |
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\midrule |
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polyatomic\_polyatomic vs gcn\_selfies & 13.401 & 9.426 & 9.454 & 17.348 & 0.00424 \\ |
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polyatomic\_polyatomic vs gcn\_smiles & 13.768 & 6.842 & 8.181 & 19.356 & 0.0131 \\ |
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polyatomic\_polyatomic vs gin\_ecfp & 11.204 & 6.414 & 6.355 & 16.054 & 0.0131 \\ |
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polyatomic\_polyatomic vs gin\_selfies & 10.606 & 6.218 & 5.871 & 15.342 & 0.0131 \\ |
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polyatomic\_polyatomic vs gin\_smiles & 11.342 & 6.554 & 6.537 & 16.147 & 0.0131 \\ |
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polyatomic\_polyatomic vs sage\_ecfp & 9.821 & 6.713 & 5.759 & 13.883 & 0.0131 \\ |
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polyatomic\_polyatomic vs gcn\_ecfp & 9.421 & 5.680 & 4.816 & 14.027 & 0.0142 \\ |
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polyatomic\_polyatomic vs gat\_ecfp & 9.641 & 5.181 & 4.474 & 14.807 & 0.0165 \\ |
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polyatomic\_polyatomic vs sage\_selfies & 7.055 & 4.786 & 2.962 & 11.147 & 0.0175 \\ |
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polyatomic\_polyatomic vs gat\_selfies & 8.351 & 3.356 & 1.441 & 15.260 & 0.0426 \\ |
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polyatomic\_polyatomic vs gat\_smiles & 7.444 & 3.000 & 0.554 & 14.335 & 0.0426 \\ |
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polyatomic\_polyatomic vs sage\_smiles & 6.398 & 2.356 & -1.141 & 13.937 & 0.0426 \\ |
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\bottomrule |
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\end{tabularx} |
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\end{table} |
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