diff --git a/fig/poster-2023-02-14/atomistic-ml/classification-of-atomistic-ml_poster_2023-02-14_ktikz.pdf b/fig/poster-2023-02-14/atomistic-ml/classification-of-atomistic-ml_poster_2023-02-14_ktikz.pdf index 759ce73987111a432f8bcb56ea064496fe3b6fc5..4eb97e50074324c4c1d2f21121b1ab15f9a00c1d 100644 --- a/fig/poster-2023-02-14/atomistic-ml/classification-of-atomistic-ml_poster_2023-02-14_ktikz.pdf +++ b/fig/poster-2023-02-14/atomistic-ml/classification-of-atomistic-ml_poster_2023-02-14_ktikz.pdf @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:d504c2c8ba2316276c4e36fb5cd6d7d0ff8dcb6a8bf7df61f1547f1ed9abee9e -size 126755 +oid sha256:c3e3bb11c0298e12a7673b15c15a81ef9d9396977217d727bd25740904060043 +size 114150 diff --git a/fig/poster-2023-02-14/atomistic-ml/classification-of-atomistic-ml_poster_2023-02-14_ktikz.png b/fig/poster-2023-02-14/atomistic-ml/classification-of-atomistic-ml_poster_2023-02-14_ktikz.png index e8dfdde58e84e9401cf97f094a3a87b82319bea2..c140ba00de8279ad4d06f4304444a9f2304bde2e 100644 --- a/fig/poster-2023-02-14/atomistic-ml/classification-of-atomistic-ml_poster_2023-02-14_ktikz.png +++ b/fig/poster-2023-02-14/atomistic-ml/classification-of-atomistic-ml_poster_2023-02-14_ktikz.png @@ -1,3 +1,3 @@ version https://git-lfs.github.com/spec/v1 -oid sha256:821bcd6f80c254224906f35d07b5447b03e9786411c7a1c9e06c39ddf1c4f0b7 -size 78864 +oid sha256:f5dc2fe16f2fe3f1cda1e5e200477920a295c8234e155487e42b95bcc2e551f0 +size 80263 diff --git a/fig/poster-2023-02-14/atomistic-ml/classification-of-atomistic-ml_poster_2023-02-14_ktikz.tikz b/fig/poster-2023-02-14/atomistic-ml/classification-of-atomistic-ml_poster_2023-02-14_ktikz.tikz index 046410df1e77cc93c4cadd5f6ecfc29164dc3064..9e2674a9e9d8b4449e1a9301e6b2f97869d5529d 100644 --- a/fig/poster-2023-02-14/atomistic-ml/classification-of-atomistic-ml_poster_2023-02-14_ktikz.tikz +++ b/fig/poster-2023-02-14/atomistic-ml/classification-of-atomistic-ml_poster_2023-02-14_ktikz.tikz @@ -169,7 +169,7 @@ \draw node[/box/active,v] (atoms) {Atomic Features\\\( A = \{ \vec{r}_i, a_i, \vec{G}, \vec{S}_i, \dots \}\)}; % \draw node[/box/active,v] (dft) [right=.7 of atoms] {\textit{Ab initio} method\\\textbf{KKR-GF} \faGears}; % \draw node[/box/active,v] (dft) [right=.7 of atoms] {\textbf{Simulator}\\\logoAiida -- KKRimp\,\logoKKRimpCircledXTwo}; - \draw node[/box/active,v] (dft) [right=.7 of atoms] {{\footnotesize\textbf{First-Principles Simulator}}\\KKRimp\,\logoKKRimpCircledXTwo}; + \draw node[/box/active,v] (dft) [right=.7 of atoms] {{\footnotesize\textbf{First-Principles Simulator}}\\\logoJuDFT Codes}; \draw node[/box/active,v] (primary) [right=.7 of dft] {Primary Output\\ \(V(\vec{r})\), \(n(\vec{r})\)}; \draw node[/box/active,v] (secondary) [right=.7 of primary] {Secondary Output\\ \(E_{tot}\), DOS, \(J_{ij}\)'s, \(\dots\)}; % E_tot ausgelassen; E(k) = bandstructure, D(E) = DOS @@ -180,12 +180,12 @@ \draw[/arr/active] (primary) -- (secondary); \draw[/arr/active] (secondary) -- (tertiary); % - \draw node[/box/ml,v] (representation) [below=.7 of atoms] {\textbf{Representation}\\\(\ket{A;\lambda\mu}\)}; + \draw node[/box/ml,v] (representation) [below=.7 of atoms] {Representation\\\(\ket{A;\lambda\mu}\)}; % note: we draw surrogate-2 & env first cause need arrow rep-surr-2 to lie below surr-1 % surrogate-2 (secondary) - \draw node[/box/ml2,v] (surrogate-2) [below=.7 of secondary] {Secondary Emulator\\ \(J_{ij}\)'s \logoNeuralNetworkSolidCircledHelmholtzdarkblueBgWhite}; + \draw node[/box/ml2,v] (surrogate-2) [below=.7 of secondary] {Secondary Emulator\\ {\footnotesize\textit{Magnetic properties}} \logoNeuralNetworkSolidCircledHelmholtzdarkblueBgWhite}; % \draw[/arr/active] (atoms) |- (surrogate); \begin{scope}[transform canvas={yshift=-7}] % shift arrow st surrogate input arrows not overlaid @@ -210,7 +210,7 @@ \draw[/arr/line] [color=mint] (surrogate-1) -- (primary); % \node[above=.7 of dft, minimum height=0] (dummypreserveheight) {}; % for arrow above in 6-kkr - \draw[/arr/ml] (primary.north) -- ++(0,.7) -| (dft) node[midway,right=-0.0,yshift=-10] {\textit{\textcolor{mint}{\logoAiida feedback}}}; + \draw[/arr/ml] (primary.north) -- ++(0,.7) -| (dft) node[midway,right=0.3,yshift=-10] {\textit{\textcolor{mint}{\logoAiida feedback}}}; % %\draw[/arr/active] (primary) -- (surrogate-2) node[midway,right=-2.3,yshift=19,rotate=-22.5] {\textit{train}}; \begin{scope}[transform canvas={xshift=-0}]