Merge pull request #6 from gkwt/main

Added result files with plots
aspuru-guzik-group · Nov 28, 2024 · de93c91 · de93c91
2 parents 7c2c32f + 5d9852c
commit de93c91
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Showing 16 changed files with 127 additions and 105 deletions.
diff --git a/examples/multi_objective/multi_objective_dye_lasers.png b/examples/multi_objective/multi_objective_dye_lasers.png
diff --git a/examples/multi_objective/plot_results.ipynb b/examples/multi_objective/plot_results.ipynb
diff --git a/examples/multi_objective/results_moo_gp.pkl b/examples/multi_objective/results_moo_gp.pkl
diff --git a/examples/multi_objective/results_moo_random.pkl b/examples/multi_objective/results_moo_random.pkl
diff --git a/examples/multi_objective/run_moo.py b/examples/multi_objective/run_moo.py
@@ -18,8 +18,8 @@
 
 # config
 dataset = Dataset(kind='dye_lasers')
-NUM_RUNS = 10
-BUDGET = 50
+NUM_RUNS = 50
+BUDGET = 200
 NUM_INIT_DESIGN = 10
 
 all_data = []

diff --git a/examples/unknown_constraints/constrained_braninconstr.png b/examples/unknown_constraints/constrained_braninconstr.png
diff --git a/examples/unknown_constraints/plot_results.ipynb b/examples/unknown_constraints/plot_results.ipynb
diff --git a/examples/unknown_constraints/results_fca-0.2.pkl b/examples/unknown_constraints/results_fca-0.2.pkl
diff --git a/examples/unknown_constraints/results_fca-0.5.pkl b/examples/unknown_constraints/results_fca-0.5.pkl
diff --git a/examples/unknown_constraints/results_fia-0.5.pkl b/examples/unknown_constraints/results_fia-0.5.pkl
diff --git a/examples/unknown_constraints/results_fia-1.pkl b/examples/unknown_constraints/results_fia-1.pkl
diff --git a/examples/unknown_constraints/results_fia-2.pkl b/examples/unknown_constraints/results_fia-2.pkl
diff --git a/examples/unknown_constraints/results_fwa.pkl b/examples/unknown_constraints/results_fwa.pkl
diff --git a/examples/unknown_constraints/results_naive-0.pkl b/examples/unknown_constraints/results_naive-0.pkl
diff --git a/examples/unknown_constraints/run.py b/examples/unknown_constraints/run.py
@@ -37,7 +37,8 @@
 }
 plan_args = plan_args[FLAGS.tag]
 
-NUM_RUNS = 5
+NUM_RUNS = 50
+BUDGET = 100
 
 
 #------
@@ -49,6 +50,8 @@
 all_runs = []
 for _ in range(NUM_RUNS):
 
+    print(f'RUN {_}')
+
     campaign = Campaign() # define Olympus campaign object
     campaign.set_param_space(surface.param_space)
 
@@ -62,7 +65,7 @@
     planner.set_param_space(surface.param_space)
 
 
-    while len(campaign.observations.get_values()) < 25:
+    while len(campaign.observations.get_values()) < BUDGET:
         samples = planner.recommend(
             campaign.observations
         )  # ask planner for parameters (list of ParameterVectors)
@@ -76,11 +79,11 @@
     x1_col = campaign.observations.get_params()[:, 1]
 
     df = pd.DataFrame({
-        'param_0': x0_col,
-        'param_1': x1_col,
+        'x0': x0_col,
+        'x1': x1_col,
         'obj': campaign.observations.get_values()
     })
 
     all_runs.append(df)
 
-pickle.dump(all_runs, open(f"results_{FLAGS.tag}.pkl", "wb"))
+    pickle.dump(all_runs, open(f"results_{FLAGS.tag}.pkl", "wb"))
diff --git a/src/atlas/planners/multi_fidelity/planner.py b/src/atlas/planners/multi_fidelity/planner.py
@@ -85,7 +85,7 @@ def __init__(
         }
 
         # check if we have any fidelity param dims specified
-        if not self.fidelity_params:
+        if self.fidelity_params is None:
             Logger.log(
                 "You must specify at least one fidelity dimension to use this planner",
                 "FATAL",