added AI model

1 files changed, 56 insertions, 0 deletions

diff --git a/app/lstm_chem/trainer.py b/app/lstm_chem/trainer.py
new file mode 100755
index 0000000..4e8057e
--- /dev/null
+++ b/app/lstm_chem/trainer.py
@@ -0,0 +1,56 @@
+from glob import glob
+import os
+from tensorflow.keras.callbacks import ModelCheckpoint, TensorBoard
+
+
+class LSTMChemTrainer(object):
+    def __init__(self, modeler, train_data_loader, valid_data_loader):
+        self.model = modeler.model
+        self.config = modeler.config
+        self.train_data_loader = train_data_loader
+        self.valid_data_loader = valid_data_loader
+        self.callbacks = []
+        self.init_callbacks()
+
+    def init_callbacks(self):
+        self.callbacks.append(
+            ModelCheckpoint(
+                filepath=os.path.join(
+                    self.config.checkpoint_dir,
+                    '%s-{epoch:02d}-{val_loss:.2f}.hdf5' %
+                    self.config.exp_name),
+                monitor=self.config.checkpoint_monitor,
+                mode=self.config.checkpoint_mode,
+                save_best_only=self.config.checkpoint_save_best_only,
+                save_weights_only=self.config.checkpoint_save_weights_only,
+                verbose=self.config.checkpoint_verbose,
+            ))
+        self.callbacks.append(
+            TensorBoard(
+                log_dir=self.config.tensorboard_log_dir,
+                write_graph=self.config.tensorboard_write_graph,
+            ))
+
+    def train(self):
+        history = self.model.fit_generator(
+            self.train_data_loader,
+            steps_per_epoch=self.train_data_loader.__len__(),
+            epochs=self.config.num_epochs,
+            verbose=self.config.verbose_training,
+            validation_data=self.valid_data_loader,
+            validation_steps=self.valid_data_loader.__len__(),
+            use_multiprocessing=True,
+            shuffle=True,
+            callbacks=self.callbacks)
+
+        last_weight_file = glob(
+            os.path.join(
+                f'{self.config.checkpoint_dir}',
+                f'{self.config.exp_name}-{self.config.num_epochs:02}*.hdf5')
+        )[0]
+
+        assert os.path.exists(last_weight_file)
+        self.config.model_weight_filename = last_weight_file
+
+        with open(os.path.join(self.config.exp_dir, 'config.json'), 'w') as f:
+            f.write(self.config.toJSON(indent=2))