fix model stats JSON export in compile_model_stats.py and use model-stats-uniq-protos.json on landing page to match metrics table

update rolling-mae-vs-hull-dist-wbm-batches-*.svelte + add gnome variant
add MACE + Alignn rolling MAE per batch to preprint/+page.md

Author: janosh

matbench_discovery/plots.py

@@ -537,10 +537,14 @@ def rolling_mae_vs_hull_dist(
 
         from matbench_discovery.preds import model_styles
 
-        for trace in fig.data:
+        for idx, trace in enumerate(fig.data):
             if style := model_styles.get(trace.name):
                 ls, _marker, color = style
                 trace.line = dict(color=color, dash=ls, width=2)
+            else:  # pick from default colors, line styles, markers
+                trace.line = dict(
+                    color=plotly_colors[idx], dash=plotly_line_styles[idx], width=2
+                )
             # marker_spacing = 2
             # fig.add_scatter(
             #     x=trace.x[::marker_spacing],

scripts/model_figs/compile_model_stats.py

@@ -19,7 +19,13 @@
 from tqdm import tqdm
 
 from matbench_discovery import PDF_FIGS, SITE_FIGS, SITE_LIB, WANDB_PATH
-from matbench_discovery.preds import df_metrics, df_metrics_10k, df_preds, model_styles
+from matbench_discovery.preds import (
+    df_metrics,
+    df_metrics_10k,
+    df_metrics_uniq_protos,
+    df_preds,
+    model_styles,
+)
 
 __author__ = "Janosh Riebesell"
 __date__ = "2022-11-28"
@@ -107,10 +113,14 @@
 
 
 # %%
-for df_tmp, label in ((df_metrics, ""), (df_metrics_10k, "-10k")):
+for df_tmp, label in (
+    (df_metrics, ""),
+    (df_metrics_10k, "-10k"),
+    (df_metrics_uniq_protos, "-uniq-protos"),
+):
     df_tmp = pd.concat(
         [
-            df_metrics,
+            df_tmp,
             pd.DataFrame(train_stats).add_prefix("Train ", axis="index"),
             pd.DataFrame(test_stats).add_prefix("Test ", axis="index"),
         ],
@@ -125,7 +135,6 @@
     ]
 
     df_tmp.attrs["All Models Run Time"] = df_tmp[time_col].sum()
-    print(f"{df_tmp[time_col].sum()=:.0f} hours")
 
     df_tmp.round(2).to_json(f"{SITE_LIB}/model-stats{label}.json", orient="index")
     if label == "":

site/src/figs/rolling-mae-vs-hull-dist-wbm-batches-alignn.svelte

@@ -1 +1 @@
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site/src/figs/rolling-mae-vs-hull-dist-wbm-batches-bowsr.svelte

@@ -0,0 +1 @@
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