diff --git a/presentation/mainmatter/jij-prediction.tex b/presentation/mainmatter/jij-prediction.tex index 298b1533e1dce4d34d48d4fe3bb0620f51323e65..75063d74e38af2d13d9923d0942a85700fc6cc51 100644 --- a/presentation/mainmatter/jij-prediction.tex +++ b/presentation/mainmatter/jij-prediction.tex @@ -1,16 +1,66 @@ \section{Machine learning magnetic exchange interactions} \label{sec:ml-exc-inter} -\begin{frame} - \frametitle{TODO} - \TODO{Add slides:} +% Slide jij-prediction +\begin{frame}[plain,c] + \frametitle{Magnetic property prediction} + % \framesubtitle{} + \vspace*{0em} + \begin{columns}[c] + \begin{column}{0.48\linewidth} + % \begin{center} + \includegraphics[width=1.0\linewidth]{../resources/fig/external/papers/mozumderHighthroughputMagneticCodoping2024/processed/Fig4-clip-2x2-a.pdf}% + % \end{center} + \end{column} + \begin{column}{0.5\linewidth} + {\small + \logoAiida -KKR Database of transition metal defects embedded into a topological + insulator, in review\footcite{mozumderHighthroughputMagneticCodoping2024} - \begin{itemize} - \item co-doping and vimp-prediction slides from july - \end{itemize} + \vspace*{1em} + + Benchmark study of atomistic ML interatomic potentials trained on the exchange + interaction \(J_{ij}\) for spin dynamics, ongoing + + \[ + H = -\frac{1}{2}\sum_{i,j}J_{ij} \, \vec{S}_i \cdot \vec{S}_j \longrightarrow J_{ij} = \sum_k \left( J_{ij} + \right)_k + \] + } + \vspace*{0em} + + \begin{columns} + \begin{column}{0.55\linewidth} + \begin{center} + \includegraphics[width=0.8\linewidth]{../resources/fig/presentation-2023-06/jij-casus-experiment/parity-SOAP-KRR-rbf-rcut-7.6c.pdf}% + \end{center} + % \vspace*{-0.5em} + % {\scriptsize Parity plot} % figure label + \end{column} + \begin{column}{0.45\linewidth} + \hspace*{-10em} + {\small + \textbf{Data size} 2'000 calculations + + \hspace*{-11em} + \textbf{Model} SOAP+KRR + + \hspace*{-11em} + \textbf{Best model} \(\mathrm{MAE} = 0.21\), + + \hspace*{-5em} + \(\mathrm{R^2} = 0.97\) + \vspace*{0.25em} + } + \end{column} + \end{columns} + \end{column} + \end{columns} + \vspace*{0em} \end{frame} + %%% Local Variables: %%% mode: latex %%% TeX-master: "../presentation"