added single-variable grid search to optimise transformations

scripts/ensembleResistnet.py

@@ -208,7 +208,7 @@ def __init__(self):
                 ["help", "out=", "in=", "network=", "reps=", "shp=",
                  "len_col=", "id_col=", "split_samples", "max_keep=",
                  "awsum=", "list=", "threads=", "edge_agg=", "varFile=",
-                 "allShapes", "report_all", "noPlot", "only_best",
+                 "report_all", "noPlot", "only_best",
                  "only_keep", "coords=", "seed="]
             )
 
@@ -251,7 +251,6 @@ def set_default_values(self):
         self.seed = None
         self.GA_procs = 1
         self.minimize = False
-        self.allShapes = False
         self.report_all = False
         self.plot = True
         self.coords = None
@@ -329,8 +328,6 @@ def set_arguments(self, options):
                     )
             elif opt in ("V", "varFile"):
                 self.varFile = arg
-            elif opt == "allShapes":
-                self.allShapes = True
             else:
                 assert False, f"Unhandled option {opt!r}"
 
@@ -370,7 +367,6 @@ def display_help(self, message=None):
             "-c, --id_col: Reach ID attribute (def=EDGE_ID)\n"
             "-o, --out: Output file prefix (default=ensemble)\n"
             "--report_all: Plot full outputs for all retained models\n"
-            "--allShapes: Allow inverse and reverse transformations\n"
             "-V, --varfile: Optional file with variables provided like so:\n"
             "          var1 \t <Optional aggregator function>\n"
             "          var2 \t <Optional aggregator function>\n"

scripts/runResistnet.py

@@ -1,5 +1,6 @@
 #!/usr/bin/env python3
 import os
+import sys
 import random
 from datetime import datetime
 
@@ -66,17 +67,17 @@ def main():
         verbose=True
     )
 
-    # # Optionally optimise transformations for each parameter 
-    # runner.optimise_transformations(
-    #     fitmetric=params.fitmetric,
-    #     threads=params.GA_procs,
-    #     posWeight=params.posWeight,
-    #     fixWeight=params.fixWeight,
-    #     fixShape=params.fixShape,
-    #     allShapes=params.allShapes,
-    #     max_shape=params.max_shape,
-    #     verbose=True
-    # )
+    # Optionally optimise transformations for each parameter
+    if params.gridSearch:
+        fixed_params = runner.optimise_univariate(
+            fitmetric=params.fitmetric,
+            threads=params.GA_procs,
+            max_shape=params.max_shape,
+            out=params.out,
+            plot=True,
+            verbose=True
+        )
+        # write fixed params to file
 
     # Step 3: Run GA optimisation
     runner.run_ga(
@@ -92,10 +93,8 @@ def main():
         nFail=params.nfail,
         popsize=params.popsize,
         maxpopsize=params.maxpopsize,
-        posWeight=params.posWeight,
         fixWeight=params.fixWeight,
         fixShape=params.fixShape,
-        allShapes=params.allShapes,
         min_weight=params.min_weight,
         max_shape=params.max_shape,
         max_hof_size=params.max_hof_size,