add mae_descending online learner param

ulissigroup · Oct 31, 2023 · d3bcc47 · d3bcc47
1 parent f7c7a77
commit d3bcc47
Showing 1 changed file with 3 additions and 0 deletions.
diff --git a/finetuna/online_learner/online_learner.py b/finetuna/online_learner/online_learner.py
@@ -128,6 +128,7 @@ def init_learner_params(self):
         self.mae_threshold = self.learner_params.get("mae_threshold", None)
         if self.mae_threshold is not None:
             self.mae_unsafe = True
+            self.mae_descending = self.learner_params.get("mae_descending", False)
 
         self.ml_energy_only = self.learner_params.get("ml_energy_only", False)
 
@@ -318,6 +319,8 @@ def get_energy_and_forces(self, atoms, precalculated=False):
                     self.mae_unsafe = True
                 else:
                     self.mae_unsafe = False
+                    if self.mae_descending:
+                        self.mae_threshold = self.info["retrained_forces_l2mae"]
 
         else:
             # Otherwise use the ML predicted energies and forces