retrained networks; fixed numpy dimesnion mismatch while training

tjresearch · Jun 6, 2020 · 3534a6b · 3534a6b
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commit 3534a6b
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Showing 20 changed files with 37 additions and 30 deletions.
diff --git a/multitask/QM9GNN2_Multitask.py b/multitask/QM9GNN2_Multitask.py
@@ -243,8 +243,14 @@ def wrap(a):
  for cluster in clusters:
  print(f'training {cluster}')
  model = build_hard_sharing_model(N=N, F=F, S=S, num_tasks=len(cluster))
+
+ # model.summary()
+ # print(X_train.shape, A_train.shape, E_train.shape)
+ # print(y_train[cluster].values[0])
+
+ y_train_cluster = np.hsplit(y_train[cluster].values, len(cluster))
  model.fit(x=[X_train, A_train, E_train], 
- y=y_train[cluster].values,
+ y=y_train_cluster,
  batch_size=batch_size,
  validation_split=0.1,
  epochs=25)
@@ -257,8 +263,9 @@ def wrap(a):
 if __name__ == '__main__':
  for cluster in clusters:
  model, _ = load_hard_sharing_model(N=N, F=F, S=S, tasks=clusters[0])
+ y_test_cluster = np.hsplit(y_test[cluster].values, len(cluster))
  model_loss = model.evaluate(x=[X_test, A_test, E_test],
- y=y_test[cluster].values)
+ y=y_test_cluster)
  print(f"Test loss: {model_loss}")
 
 

diff --git a/multitask/demo_models/A.txt b/multitask/demo_models/A.txt
@@ -1,2 +1,2 @@
-3.3739112700000002
-1.4215128418985483
+3.440024565
+1.6821237027737201
diff --git a/multitask/demo_models/ABalpha.h5 b/multitask/demo_models/ABalpha.h5
diff --git a/multitask/demo_models/B.txt b/multitask/demo_models/B.txt
@@ -1,2 +1,2 @@
-1.4166138099999999
-0.432646571949188
+1.40024807086
+0.47656980527683146
diff --git a/multitask/demo_models/C.txt b/multitask/demo_models/C.txt
@@ -1,2 +1,2 @@
-1.1338870200000002
-0.32251488017968966
+1.1211003058600002
+0.3425934987236523
diff --git a/multitask/demo_models/Cr2u0.h5 b/multitask/demo_models/Cr2u0.h5
diff --git a/multitask/demo_models/alpha.txt b/multitask/demo_models/alpha.txt
@@ -1,2 +1,2 @@
-75.30307
-8.120679766811396
+75.154501
+8.30418973476636
diff --git a/multitask/demo_models/cv.txt b/multitask/demo_models/cv.txt
@@ -1,2 +1,2 @@
-31.610122
-4.034646373985705
+31.578656799999997
+4.0556578754887305
diff --git a/multitask/demo_models/cvg298zpve.h5 b/multitask/demo_models/cvg298zpve.h5
diff --git a/multitask/demo_models/g298.txt b/multitask/demo_models/g298.txt
@@ -1,2 +1,2 @@
--409.41995862
-39.600901512732456
+-411.38817983359996
+40.43021850342933
diff --git a/multitask/demo_models/h298.txt b/multitask/demo_models/h298.txt
@@ -1,2 +1,2 @@
--409.37720973800003
-39.60019960141554
+-411.3453741094
+40.42945156641976
diff --git a/multitask/demo_models/h298lumou298.h5 b/multitask/demo_models/h298lumou298.h5
diff --git a/multitask/demo_models/homo.txt b/multitask/demo_models/homo.txt
@@ -1,2 +1,2 @@
--0.2392446
-0.022844549696590652
+-0.24015
+0.022229598241983593
diff --git a/multitask/demo_models/homomu.h5 b/multitask/demo_models/homomu.h5
diff --git a/multitask/demo_models/lumo.txt b/multitask/demo_models/lumo.txt
@@ -1,2 +1,2 @@
-0.0120321
-0.04676457676051394
+0.01144508
+0.04654805591851931
diff --git a/multitask/demo_models/mu.txt b/multitask/demo_models/mu.txt
@@ -1,2 +1,2 @@
-2.7247790999999997
-1.535490439876846
+2.68896077
+1.5765030206935877
diff --git a/multitask/demo_models/r2.txt b/multitask/demo_models/r2.txt
@@ -1,2 +1,2 @@
-1172.1796918
-253.09138736082298
+1188.0601895500001
+277.8996264747179
diff --git a/multitask/demo_models/u0.txt b/multitask/demo_models/u0.txt
@@ -1,2 +1,2 @@
--409.386611697
-39.600410636129055
+-411.35478172940003
+40.429684332089174
diff --git a/multitask/demo_models/u298.txt b/multitask/demo_models/u298.txt
@@ -1,2 +1,2 @@
--409.378153931
-39.600199590978626
+-411.3463182954
+40.429451569371
diff --git a/multitask/demo_models/zpve.txt b/multitask/demo_models/zpve.txt
@@ -1,2 +1,2 @@
-0.14983648799999996
-0.03263525654300661
+0.1486266296
+0.03318386271224018