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Update app.py
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app.py
CHANGED
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@@ -145,6 +145,9 @@ def predict_inverse(hardness_original_target, ys_original_target, metals_to_use,
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else:
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domain.append({'name': str(c), 'type': 'discrete', 'domain': (0,1)})
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# Constraints
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constraints = []
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constrained_columns = ['Single/Multiphase', 'Preprocessing method', 'BCC/FCC/other'] #'PROPERTY: Metal']#, 'Microstructure']
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@@ -156,7 +159,9 @@ def predict_inverse(hardness_original_target, ys_original_target, metals_to_use,
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sum_string = sum_string+"+x[:," + str(i) + "]"
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constraints.append({'name': constraint + "+1", 'constraint': sum_string + '-1'})
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constraints.append({'name': constraint + "-1", 'constraint': '-1*(' + sum_string + ')+1'})
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-
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def fit_outputs(x):
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return fit_outputs_constraints(x, hardness_target, ys_target, request)
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@@ -174,6 +179,8 @@ def predict_inverse(hardness_original_target, ys_original_target, metals_to_use,
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[el['name'] for el in domain],
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[[x] for x in x_best]))
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optimized_x = pd.DataFrame.from_dict(best_params)
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for c in optimized_x.columns:
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if c in continuous_variables:
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if c in ['PROPERTY: Calculated Density (g/cm$^3$)', 'PROPERTY: Calculated Young modulus (GPa)']:
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@@ -181,10 +188,7 @@ def predict_inverse(hardness_original_target, ys_original_target, metals_to_use,
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print(optimized_x[c])
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optimized_x[c]=round(optimized_x[c]*(scaling_factors[c][1]-scaling_factors[c][0])+scaling_factors[c][0], 2)
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result = optimized_x
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print(result)
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result = result[result>0.0].dropna(axis=1)
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print("-------------")
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print(result)
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# Normalize metals outputs
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sum_metals = np.sum(result[c] for c in list(result.columns) if c.startswith("PROPERTY: Metal"))
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else:
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domain.append({'name': str(c), 'type': 'discrete', 'domain': (0,1)})
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print("************")
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print("Domain")
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print(domain)
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# Constraints
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constraints = []
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constrained_columns = ['Single/Multiphase', 'Preprocessing method', 'BCC/FCC/other'] #'PROPERTY: Metal']#, 'Microstructure']
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sum_string = sum_string+"+x[:," + str(i) + "]"
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constraints.append({'name': constraint + "+1", 'constraint': sum_string + '-1'})
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constraints.append({'name': constraint + "-1", 'constraint': '-1*(' + sum_string + ')+1'})
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print("********************")
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print("Constraints")
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print(constraints)
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def fit_outputs(x):
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return fit_outputs_constraints(x, hardness_target, ys_target, request)
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[el['name'] for el in domain],
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[[x] for x in x_best]))
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optimized_x = pd.DataFrame.from_dict(best_params)
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print("Optimized parameters")
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print(optimized_x.columns)
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for c in optimized_x.columns:
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if c in continuous_variables:
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if c in ['PROPERTY: Calculated Density (g/cm$^3$)', 'PROPERTY: Calculated Young modulus (GPa)']:
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print(optimized_x[c])
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optimized_x[c]=round(optimized_x[c]*(scaling_factors[c][1]-scaling_factors[c][0])+scaling_factors[c][0], 2)
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result = optimized_x
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result = result[result>0.0].dropna(axis=1)
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# Normalize metals outputs
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sum_metals = np.sum(result[c] for c in list(result.columns) if c.startswith("PROPERTY: Metal"))
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