A 2048-bit RDKit fingerprint is performed on X_train.
array([[0, 0, 0, ..., 0, 0, 0],
[0, 0, 0, ..., 0, 0, 0],
[0, 0, 0, ..., 0, 0, 0],
...,
[0, 0, 0, ..., 0, 0, 1],
[0, 0, 0, ..., 0, 0, 0],
[0, 0, 0, ..., 0, 0, 0]], shape=(5807, 2048))
Fitting PCovC to this feature array takes around 5-8 minutes to run.
lr = LogisticRegression()
lr.fit(X_train,y_train)
pcovc = PCovC(mixing=0.05,classifier=lr,n_components=2)
pcovc.fit(X_train,y_train)
Now, X_train is fit transformed with a StandardScaler.
array([[-0.59651099, -0.46626218, -0.49935414, ..., -0.34791159,
-0.4461504 , -0.92512945],
[-0.59651099, -0.46626218, -0.49935414, ..., -0.34791159,
-0.4461504 , -0.92512945],
[-0.59651099, -0.46626218, -0.49935414, ..., -0.34791159,
-0.4461504 , -0.92512945],
...,
[-0.59651099, -0.46626218, -0.49935414, ..., -0.34791159,
-0.4461504 , 1.08092981],
[-0.59651099, -0.46626218, -0.49935414, ..., -0.34791159,
-0.4461504 , -0.92512945],
[-0.59651099, -0.46626218, -0.49935414, ..., -0.34791159,
-0.4461504 , -0.92512945]], shape=(5807, 2048))
Fitting PCovC to this scaled feature array takes around 15 seconds to run.
lr = LogisticRegression()
lr.fit(X_train_scaled,y_train)
pcovc = PCovC(mixing=0.05,classifier=lr,n_components=2)
pcovc.fit(X_train_scaled,y_train)
It seems strange that the unscaled fingerprint would take so much longer than the scaled fingerprint to fit. What could be causing this?
A 2048-bit RDKit fingerprint is performed on X_train.
Fitting PCovC to this feature array takes around 5-8 minutes to run.
Now, X_train is fit transformed with a StandardScaler.
Fitting PCovC to this scaled feature array takes around 15 seconds to run.
It seems strange that the unscaled fingerprint would take so much longer than the scaled fingerprint to fit. What could be causing this?