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- Refactor 
- Fix bugs
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ss0832 authored Mar 7, 2025
1 parent 0adf27c commit 500597c
Showing 1 changed file with 24 additions and 6 deletions.
30 changes: 24 additions & 6 deletions biaspotpy/optimizer.py
Original file line number Diff line number Diff line change
Expand Up @@ -25,8 +25,9 @@
#from Optimizer.adabound import AdaBound
from Optimizer.adadelta import Adadelta
from Optimizer.conjugate_gradient import ConjgateGradient
from Optimizer.hybrid_rfo import HybridCoordinateAugmentedRFO
from Optimizer.hybrid_rfo import HybridRFO
from Optimizer.rfo import RationalFunctionOptimization
from Optimizer.ric_rfo import RedundantInternalRFO
from Optimizer.newton import Newton
from Optimizer.rmspropgrave import RMSpropGrave
from Optimizer.lookahead import LookAhead
Expand Down Expand Up @@ -87,10 +88,23 @@
"rfo2_psb": {"delta": 0.50, "rfo_type": 2},
"rfo2_flowchart": {"delta": 0.50, "rfo_type": 2},

"hybrid_rfo_fsb": {"delta": 0.05, "rfo_type": 1},
"hybrid_rfo_bofill": {"delta": 0.05, "rfo_type": 1},
"hybrid_rfo_msp": {"delta": 0.05, "rfo_type": 1},
"hybrid_rfo_bfgs": {"delta": 0.05, "rfo_type": 1},

"ric_rfo_bfgs": {"delta": 0.50, "rfo_type": 1},
"ric_rfo_fsb": {"delta": 0.50, "rfo_type": 1},
"ric_rfo_bofill": {"delta": 0.50, "rfo_type": 1},
"ric_rfo_msp": {"delta": 0.50, "rfo_type": 1},
"ric_rfo_sr1": {"delta": 0.50, "rfo_type": 1},
"ric_rfo_psb": {"delta": 0.50, "rfo_type": 1},
"ric_rfo_flowchart": {"delta": 0.50, "rfo_type": 1},

"hybrid_rfo_bfgs": {"delta": 0.50, "rfo_type": 1},
"hybrid_rfo_fsb": {"delta": 0.50, "rfo_type": 1},
"hybrid_rfo_bofill": {"delta": 0.50, "rfo_type": 1},
"hybrid_rfo_msp": {"delta": 0.50, "rfo_type": 1},
"hybrid_rfo_sr1": {"delta": 0.50, "rfo_type": 1},
"hybrid_rfo_psb": {"delta": 0.50, "rfo_type": 1},
"hybrid_rfo_flowchart": {"delta": 0.50, "rfo_type": 1},


"mrfo_bfgs": {"delta": 0.30, "rfo_type": 1},
"mrfo_fsb": {"delta": 0.30, "rfo_type": 1},
Expand All @@ -108,6 +122,8 @@
"rfo_psb": {"delta": 0.50, "rfo_type": 1},
"rfo_flowchart": {"delta": 0.50, "rfo_type": 1},



"bfgs": {"delta": 0.10, "linesearch": False},
"fsb": {"delta": 0.10, "linesearch": False},
"bofill": {"delta": 0.10, "linesearch": False},
Expand Down Expand Up @@ -179,7 +195,9 @@ def initialization(self, method):
if key in lower_m:
print(key)
if "hybrid_rfo" in key:
optimizer_instances.append(HybridCoordinateAugmentedRFO(method=m, saddle_order=self.saddle_order, element_list=self.element_list))
optimizer_instances.append(HybridRFO(method=m, saddle_order=self.saddle_order, element_list=self.element_list))
elif "ric_rfo" in key:
optimizer_instances.append(RedundantInternalRFO(method=m, saddle_order=self.saddle_order, element_list=self.element_list))
elif "rfo" in key:
optimizer_instances.append(RationalFunctionOptimization(method=m, saddle_order=self.saddle_order, trust_radius=self.trust_radii, element_list=self.element_list))

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