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chhoumann committed Jun 12, 2024
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Expand Up @@ -84,7 +84,7 @@ \subsubsection{Results}\label{subsec:stacking_ensemble_results}

\begin{table}
\centering
\caption{Stacking ensemble results using the \gls{enet} model as the meta-learner with default hyperparameters.}
\caption{Stacking ensemble results using the \gls{enet} model as the meta-learner with $\alpha = 1$.}
\begin{tabular}{lcccc}
\toprule
Oxide & \gls{rmsep} & STDDEV & \gls{rmsecv} & Std. Dev. CV \\
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\toprule
Oxide & \gls{moc} (replica) & \gls{enet} ($\alpha = 1$) & \gls{enet} ($\alpha = 0.1$) & \gls{svr} \\
\midrule
\ce{SiO2} & 5.61 & 3.588 & 3.598 & \textbf{3.473} \\
\ce{TiO2} & 0.61 & 0.571 & \textbf{0.319} & 0.340 \\
\ce{Al2O3} & 2.47 & \textbf{1.656} & 1.658 & 1.729 \\
\ce{FeO_T} & 1.82 & 1.794 & 1.841 & \textbf{1.693} \\
\ce{MgO} & 1.56 & \textbf{0.711} & 0.768 & 0.819 \\
\ce{CaO} & 2.09 & \textbf{1.636} & 1.647 & 1.594 \\
\ce{Na2O} & 1.33 & 0.470 & 0.442 & \textbf{0.369} \\
\ce{K2O} & 1.91 & \textbf{0.476} & 0.494 & 0.511 \\
\ce{SiO2} & 5.61 & 3.59 & 3.60 & \textbf{3.47} \\
\ce{TiO2} & 0.61 & 0.57 & \textbf{0.32} & 0.34 \\
\ce{Al2O3} & 2.47 & \textbf{1.66} & 1.66 & 1.73 \\
\ce{FeO_T} & 1.82 & 1.79 & 1.84 & \textbf{1.69} \\
\ce{MgO} & 1.56 & \textbf{0.71} & 0.77 & 0.82 \\
\ce{CaO} & 2.09 & \textbf{1.64} & 1.65 & 1.59 \\
\ce{Na2O} & 1.33 & 0.47 & 0.44 & \textbf{0.37} \\
\ce{K2O} & 1.91 & \textbf{0.48} & 0.49 & 0.51 \\
\bottomrule
\end{tabular}
}
Expand All @@ -201,15 +201,13 @@ \subsubsection{Results}\label{subsec:stacking_ensemble_results}

Table~\ref{tab:stacking_ensemble_vs_moc} compares the \gls{rmsep} values of different oxides for the \gls{moc} (replica) model with three stacking ensemble models: \gls{enet} with $\alpha = 1$, \gls{enet} with $\alpha = 0.1$, and \gls{svr}.

Overall, the stacking ensemble models tend to produce lower \gls{rmsep} values compared to the \gls{moc} (replica) model. Notably, \ce{SiO2}, \ce{TiO2}, \ce{Na2O}, and \ce{K2O} show significant improvements across all stacking ensemble models. For instance, the \gls{rmsep} for \ce{SiO2} is reduced from 5.61 (\gls{moc} (replica)) to around 3.588-3.598 (\gls{enet} with $\alpha = 1$) and further to 3.473 (\gls{svr}). Similarly, \ce{TiO2} shows a reduction from 0.61 (\gls{moc} (replica)) to 0.319-0.340 (\gls{enet} with $\alpha = 1$).

The improvements are consistent across most oxides, with \gls{enet} and \gls{svr} models both outperforming the \gls{moc} (replica) model. This suggests that the ensemble approach, particularly with these meta-learners, enhances prediction accuracy for the oxides tested.





Overall, the stacking ensemble models tend to produce lower \gls{rmsep} values compared to the \gls{moc} (replica) model.
Notably, \ce{SiO2}, \ce{TiO2}, \ce{Na2O}, and \ce{K2O} show large improvements across all stacking ensemble models.
For instance, the \gls{rmsep} for \ce{SiO2} is reduced from 5.61 (\gls{moc} (replica)) to around 3.59 (\gls{enet} with $\alpha = 1$) and further to 3.47 (\gls{svr}).
Similarly, \ce{TiO2} shows a reduction from 0.61 (\gls{moc} (replica)) to 0.32 (\gls{enet} with $\alpha = 0.1$).

The improvements are consistent across most oxides, with \gls{enet} and \gls{svr} models both outperforming the \gls{moc} (replica) model.
This shows that the ensemble approach, particularly with these meta-learners, enhances prediction accuracy for the oxides we tested.

\begin{figure*}
\centering
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