# HG changeset patch # User bgruening # Date 1570832694 14400 # Node ID 76251d1ccdcc515619356eb9c9c212e8b54cca01 # Parent 12764915e1c5e2000af40d8406fce9fde3e26f41 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/recommendation_training/tools/tool_recommendation_model commit 6fa2a0294d615c9f267b766337dca0b2d3637219" diff -r 12764915e1c5 -r 76251d1ccdcc create_tool_recommendation_model.xml --- a/create_tool_recommendation_model.xml Wed Sep 25 06:42:40 2019 -0400 +++ b/create_tool_recommendation_model.xml Fri Oct 11 18:24:54 2019 -0400 @@ -2,11 +2,11 @@ using deep learning python - tensorflow - keras - scikit-learn + tensorflow + keras + scikit-learn h5py - csvkit + csvkit hyperopt echo "@VERSION@" @@ -38,25 +38,40 @@
+ + +
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@@ -66,13 +81,70 @@ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + diff -r 12764915e1c5 -r 76251d1ccdcc main.py --- a/main.py Wed Sep 25 06:42:40 2019 -0400 +++ b/main.py Fri Oct 11 18:24:54 2019 -0400 @@ -8,6 +8,8 @@ import time # machine learning library +import tensorflow as tf +from keras import backend as K import keras.callbacks as callbacks import extract_workflow_connections @@ -19,8 +21,16 @@ class PredictTool: @classmethod - def __init__(self): + def __init__(self, num_cpus): """ Init method. """ + # set the number of cpus + cpu_config = tf.ConfigProto( + device_count={"CPU": num_cpus}, + intra_op_parallelism_threads=num_cpus, + inter_op_parallelism_threads=num_cpus, + allow_soft_placement=True + ) + K.set_session(tf.Session(config=cpu_config)) @classmethod def find_train_best_network(self, network_config, reverse_dictionary, train_data, train_labels, test_data, test_labels, n_epochs, class_weights, usage_pred, compatible_next_tools): @@ -29,39 +39,43 @@ """ print("Start hyperparameter optimisation...") hyper_opt = optimise_hyperparameters.HyperparameterOptimisation() - best_params = hyper_opt.train_model(network_config, reverse_dictionary, train_data, train_labels, test_data, test_labels, class_weights) - - # retrieve the model and train on complete dataset without validation set - model, best_params = utils.set_recurrent_network(best_params, reverse_dictionary, class_weights) + best_params, best_model = hyper_opt.train_model(network_config, reverse_dictionary, train_data, train_labels, class_weights) # define callbacks + early_stopping = callbacks.EarlyStopping(monitor='loss', mode='min', verbose=1, min_delta=1e-4, restore_best_weights=True) predict_callback_test = PredictCallback(test_data, test_labels, reverse_dictionary, n_epochs, compatible_next_tools, usage_pred) - # tensor_board = callbacks.TensorBoard(log_dir=log_directory, histogram_freq=0, write_graph=True, write_images=True) - callbacks_list = [predict_callback_test] + + callbacks_list = [predict_callback_test, early_stopping] print("Start training on the best model...") - model_fit = model.fit( - train_data, - train_labels, - batch_size=int(best_params["batch_size"]), - epochs=n_epochs, - verbose=2, - callbacks=callbacks_list, - shuffle="batch", - validation_data=(test_data, test_labels) - ) - - train_performance = { - "train_loss": np.array(model_fit.history["loss"]), - "model": model, - "best_parameters": best_params - } - - # if there is test data, add more information + train_performance = dict() if len(test_data) > 0: - train_performance["validation_loss"] = np.array(model_fit.history["val_loss"]) + trained_model = best_model.fit( + train_data, + train_labels, + batch_size=int(best_params["batch_size"]), + epochs=n_epochs, + verbose=2, + callbacks=callbacks_list, + shuffle="batch", + validation_data=(test_data, test_labels) + ) + train_performance["validation_loss"] = np.array(trained_model.history["val_loss"]) train_performance["precision"] = predict_callback_test.precision train_performance["usage_weights"] = predict_callback_test.usage_weights + else: + trained_model = best_model.fit( + train_data, + train_labels, + batch_size=int(best_params["batch_size"]), + epochs=n_epochs, + verbose=2, + callbacks=callbacks_list, + shuffle="batch" + ) + train_performance["train_loss"] = np.array(trained_model.history["loss"]) + train_performance["model"] = best_model + train_performance["best_parameters"] = best_params return train_performance @@ -90,6 +104,7 @@ if __name__ == "__main__": start_time = time.time() + arg_parser = argparse.ArgumentParser() arg_parser.add_argument("-wf", "--workflow_file", required=True, help="workflows tabular file") arg_parser.add_argument("-tu", "--tool_usage_file", required=True, help="tool usage file") @@ -112,6 +127,7 @@ arg_parser.add_argument("-lr", "--learning_rate", required=True, help="learning rate") arg_parser.add_argument("-ar", "--activation_recurrent", required=True, help="activation function for recurrent layers") arg_parser.add_argument("-ao", "--activation_output", required=True, help="activation function for output layers") + # get argument values args = vars(arg_parser.parse_args()) tool_usage_path = args["tool_usage_file"] @@ -133,6 +149,7 @@ learning_rate = args["learning_rate"] activation_recurrent = args["activation_recurrent"] activation_output = args["activation_output"] + num_cpus = 16 config = { 'cutoff_date': cutoff_date, @@ -161,7 +178,7 @@ data = prepare_data.PrepareData(maximum_path_length, test_share) train_data, train_labels, test_data, test_labels, data_dictionary, reverse_dictionary, class_weights, usage_pred = data.get_data_labels_matrices(workflow_paths, tool_usage_path, cutoff_date, compatible_next_tools) # find the best model and start training - predict_tool = PredictTool() + predict_tool = PredictTool(num_cpus) # start training with weighted classes print("Training with weighted classes and samples ...") results_weighted = predict_tool.find_train_best_network(config, reverse_dictionary, train_data, train_labels, test_data, test_labels, n_epochs, class_weights, usage_pred, compatible_next_tools) diff -r 12764915e1c5 -r 76251d1ccdcc optimise_hyperparameters.py --- a/optimise_hyperparameters.py Wed Sep 25 06:42:40 2019 -0400 +++ b/optimise_hyperparameters.py Fri Oct 11 18:24:54 2019 -0400 @@ -22,7 +22,7 @@ """ Init method. """ @classmethod - def train_model(self, config, reverse_dictionary, train_data, train_labels, test_data, test_labels, class_weights): + def train_model(self, config, reverse_dictionary, train_data, train_labels, class_weights): """ Train a model and report accuracy """ @@ -46,7 +46,7 @@ # get dimensions dimensions = len(reverse_dictionary) + 1 best_model_params = dict() - early_stopping = EarlyStopping(monitor='val_loss', mode='min', min_delta=1e-4, verbose=1, patience=1) + early_stopping = EarlyStopping(monitor='val_loss', mode='min', verbose=1, min_delta=1e-4) # specify the search space for finding the best combination of parameters using Bayesian optimisation params = { @@ -82,11 +82,12 @@ validation_split=validation_split, callbacks=[early_stopping] ) - return {'loss': model_fit.history["val_loss"][-1], 'status': STATUS_OK} - # minimize the objective function using the set of parameters above4 + return {'loss': model_fit.history["val_loss"][-1], 'status': STATUS_OK, 'model': model} + # minimize the objective function using the set of parameters above trials = Trials() learned_params = fmin(create_model, params, trials=trials, algo=tpe.suggest, max_evals=int(config["max_evals"])) - print(learned_params) + best_model = trials.results[np.argmin([r['loss'] for r in trials.results])]['model'] + # set the best params with respective values for item in learned_params: item_val = learned_params[item] @@ -96,4 +97,4 @@ best_model_params[item] = l_recurrent_activations[item_val] else: best_model_params[item] = item_val - return best_model_params + return best_model_params, best_model diff -r 12764915e1c5 -r 76251d1ccdcc test-data/test_tool_usage --- a/test-data/test_tool_usage Wed Sep 25 06:42:40 2019 -0400 +++ b/test-data/test_tool_usage Fri Oct 11 18:24:54 2019 -0400 @@ -998,5219 +998,3 @@ toolshed.g2.bx.psu.edu/repos/galaxyp/openms_xtandemadapter/XTandemAdapter/2.2.0.1 2019-02-01 2 toolshed.g2.bx.psu.edu/repos/devteam/kraken2tax/Kraken2Tax/1.2 2019-02-01 2 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1.1.0 11457 cshl_word_list_grep 1.0.0 -577 2013-10-21 10:42:00 11494 Filter1 1.1.0 11457 cshl_word_list_grep 1.0.0 -577 2013-10-21 10:42:00 11495 Filter1 1.1.0 11457 cshl_word_list_grep 1.0.0 -577 2013-10-21 10:42:00 11496 Filter1 1.1.0 11457 cshl_word_list_grep 1.0.0 -577 2013-10-21 10:42:00 11497 Filter1 1.1.0 11457 cshl_word_list_grep 1.0.0 -577 2013-10-21 10:42:00 11382 Filter1 1.1.0 11458 cshl_word_list_grep 1.0.0 -577 2013-10-21 10:42:00 11383 Filter1 1.1.0 11458 cshl_word_list_grep 1.0.0 -577 2013-10-21 10:42:00 11384 Filter1 1.1.0 11458 cshl_word_list_grep 1.0.0 -577 2013-10-21 10:42:00 11389 Filter1 1.1.0 11458 cshl_word_list_grep 1.0.0 -577 2013-10-21 10:42:00 11391 Filter1 1.1.0 11458 cshl_word_list_grep 1.0.0 -577 2013-10-21 10:42:00 11498 Filter1 1.1.0 11458 cshl_word_list_grep 1.0.0 -577 2013-10-21 10:42:00 11499 Filter1 1.1.0 11458 cshl_word_list_grep 1.0.0 -577 2013-10-21 10:42:00 11475 cat1 1.0.0 11460 Remove_ending 1.0.0 -577 2013-10-21 10:42:00 11393 Cut1 1.0.2 11464 cat1 1.0.0 -577 2013-10-21 10:42:00 11249 Remove_ending 1.0.0 11465 Remove beginning1 1.0.0 -577 2013-10-21 10:42:00 11248 Remove_ending 1.0.0 11466 Remove beginning1 1.0.0 -577 2013-10-21 10:42:00 11247 Remove_ending 1.0.0 11467 Remove beginning1 1.0.0 -577 2013-10-21 10:42:00 11246 Remove_ending 1.0.0 11468 Remove beginning1 1.0.0 -577 2013-10-21 10:42:00 11245 Remove_ending 1.0.0 11469 Remove beginning1 1.0.0 -577 2013-10-21 10:42:00 11244 Remove_ending 1.0.0 11470 Remove beginning1 1.0.0 -577 2013-10-21 10:42:00 11256 Remove_ending 1.0.0 11471 Remove beginning1 1.0.0 -577 2013-10-21 10:42:00 11433 Remove_ending 1.0.0 11473 Remove beginning1 1.0.0 -577 2013-10-21 10:42:00 11427 Remove_ending 1.0.0 11474 Remove beginning1 1.0.0 -577 2013-10-21 10:42:00 11287 Cut1 1.0.2 11475 cat1 1.0.0 -577 2013-10-21 10:42:00 11464 cat1 1.0.0 11476 Remove_ending 1.0.0 -577 2013-10-21 10:42:00 11303 Remove_ending 1.0.0 11480 Remove beginning1 1.0.0 -577 2013-10-21 10:42:00 11464 cat1 1.0.0 11481 Remove_ending 1.0.0 -577 2013-10-21 10:42:00 11464 cat1 1.0.0 11483 Remove_ending 1.0.0 -577 2013-10-21 10:42:00 11464 cat1 1.0.0 11484 Remove_ending 1.0.0 -577 2013-10-21 10:42:00 11464 cat1 1.0.0 11485 Remove_ending 1.0.0 -577 2013-10-21 10:42:00 11464 cat1 1.0.0 11486 Remove_ending 1.0.0 -577 2013-10-21 10:42:00 11464 cat1 1.0.0 11487 Remove_ending 1.0.0 -577 2013-10-21 10:42:00 11363 cat1 1.0.0 11488 Remove_ending 1.0.0 -577 2013-10-21 10:42:00 11343 heatmapper 1.3 11491 Filter1 1.1.0 -577 2013-10-21 10:42:00 11369 heatmapper 1.3 11492 Filter1 1.1.0 -577 2013-10-21 10:42:00 11341 heatmapper 1.3 11493 Filter1 1.1.0 -577 2013-10-21 10:42:00 11379 heatmapper 1.3 11494 Filter1 1.1.0 -577 2013-10-21 10:42:00 11368 heatmapper 1.3 11495 Filter1 1.1.0 -577 2013-10-21 10:42:00 11381 heatmapper 1.3 11496 Filter1 1.1.0 -577 2013-10-21 10:42:00 11378 heatmapper 1.3 11497 Filter1 1.1.0 -577 2013-10-21 10:42:00 11375 heatmapper 1.3 11498 Filter1 1.1.0 -577 2013-10-21 10:42:00 11479 Cut1 1.0.2 11502 cat1 1.0.0 -577 2013-10-21 10:42:00 11511 Remove beginning1 1.0.0 11504 heatmapper 1.3 -577 2013-10-21 10:42:00 11480 Remove beginning1 1.0.0 11506 heatmapper 1.3 -577 2013-10-21 10:42:00 11395 Remove beginning1 1.0.0 11508 heatmapper 1.3 -577 2013-10-21 10:42:00 11414 Remove beginning1 1.0.0 11510 heatmapper 1.3 -577 2013-10-21 10:42:00 11291 Remove_ending 1.0.0 11511 Remove beginning1 1.0.0 -577 2013-10-21 10:42:00 11531 Remove_ending 1.0.0 11512 Remove beginning1 1.0.0 -577 2013-10-21 10:42:00 11251 Remove_ending 1.0.0 11514 Remove beginning1 1.0.0 -577 2013-10-21 10:42:00 11265 heatmapper 1.3 11515 Filter1 1.1.0 -577 2013-10-21 10:42:00 11266 heatmapper 1.3 11516 Filter1 1.1.0 -577 2013-10-21 10:42:00 11261 heatmapper 1.3 11517 Filter1 1.1.0 -577 2013-10-21 10:42:00 11262 heatmapper 1.3 11518 Filter1 1.1.0 -577 2013-10-21 10:42:00 11263 heatmapper 1.3 11519 Filter1 1.1.0 -577 2013-10-21 10:42:00 11264 heatmapper 1.3 11520 Filter1 1.1.0 -577 2013-10-21 10:42:00 11257 heatmapper 1.3 11521 Filter1 1.1.0 -577 2013-10-21 10:42:00 11258 heatmapper 1.3 11522 Filter1 1.1.0 -577 2013-10-21 10:42:00 11510 heatmapper 1.3 11524 Filter1 1.1.0 -577 2013-10-21 10:42:00 11523 cat1 1.0.0 11526 Remove_ending 1.0.0 -577 2013-10-21 10:42:00 11475 cat1 1.0.0 11527 Remove_ending 1.0.0 -577 2013-10-21 10:42:00 11523 cat1 1.0.0 11528 Remove_ending 1.0.0 -577 2013-10-21 10:42:00 11363 cat1 1.0.0 11529 Remove_ending 1.0.0 -577 2013-10-21 10:42:00 11523 cat1 1.0.0 11530 Remove_ending 1.0.0 -577 2013-10-21 10:42:00 11523 cat1 1.0.0 11532 Remove_ending 1.0.0 -577 2013-10-21 10:42:00 11257 heatmapper 1.3 11536 -577 2013-10-21 10:42:00 11258 heatmapper 1.3 11536 -577 2013-10-21 10:42:00 11259 heatmapper 1.3 11536 -577 2013-10-21 10:42:00 11261 heatmapper 1.3 11536 -577 2013-10-21 10:42:00 11262 heatmapper 1.3 11536 -577 2013-10-21 10:42:00 11263 heatmapper 1.3 11536 -577 2013-10-21 10:42:00 11264 heatmapper 1.3 11536 -577 2013-10-21 10:42:00 11265 heatmapper 1.3 11536 -577 2013-10-21 10:42:00 11266 heatmapper 1.3 11536 -577 2013-10-21 10:42:00 11290 heatmapper 1.3 11536 -577 2013-10-21 10:42:00 11293 heatmapper 1.3 11536 -577 2013-10-21 10:42:00 11294 heatmapper 1.3 11536 -577 2013-10-21 10:42:00 11300 heatmapper 1.3 11536 -577 2013-10-21 10:42:00 11301 heatmapper 1.3 11536 -577 2013-10-21 10:42:00 11302 heatmapper 1.3 11536 -577 2013-10-21 10:42:00 11306 heatmapper 1.3 11536 -577 2013-10-21 10:42:00 11337 heatmapper 1.3 11536 -577 2013-10-21 10:42:00 11341 heatmapper 1.3 11536 -577 2013-10-21 10:42:00 11342 heatmapper 1.3 11536 -577 2013-10-21 10:42:00 11343 heatmapper 1.3 11536 -577 2013-10-21 10:42:00 11349 heatmapper 1.3 11536 -577 2013-10-21 10:42:00 11368 heatmapper 1.3 11536 -577 2013-10-21 10:42:00 11369 heatmapper 1.3 11536 -577 2013-10-21 10:42:00 11374 heatmapper 1.3 11536 -577 2013-10-21 10:42:00 11375 heatmapper 1.3 11536 -577 2013-10-21 10:42:00 11376 heatmapper 1.3 11536 -577 2013-10-21 10:42:00 11377 heatmapper 1.3 11536 -577 2013-10-21 10:42:00 11378 heatmapper 1.3 11536 -577 2013-10-21 10:42:00 11379 heatmapper 1.3 11536 -577 2013-10-21 10:42:00 11381 heatmapper 1.3 11536 -577 2013-10-21 10:42:00 11409 heatmapper 1.3 11536 -577 2013-10-21 10:42:00 11435 heatmapper 1.3 11536 -577 2013-10-21 10:42:00 11444 heatmapper 1.3 11536 -577 2013-10-21 10:42:00 11445 heatmapper 1.3 11536 -577 2013-10-21 10:42:00 11447 heatmapper 1.3 11536 -577 2013-10-21 10:42:00 11448 heatmapper 1.3 11536 -577 2013-10-21 10:42:00 11459 heatmapper 1.3 11536 -577 2013-10-21 10:42:00 11503 heatmapper 1.3 11536 -577 2013-10-21 10:42:00 11505 heatmapper 1.3 11536 -577 2013-10-21 10:42:00 11506 heatmapper 1.3 11536 -577 2013-10-21 10:42:00 11507 heatmapper 1.3 11536 -577 2013-10-21 10:42:00 11508 heatmapper 1.3 11536 -577 2013-10-21 10:42:00 11510 heatmapper 1.3 11536 -577 2013-10-21 10:42:00 11533 heatmapper 1.3 11536 -577 2013-10-21 10:42:00 11275 cshl_word_list_grep 1.0.0 11537 -577 2013-10-21 10:42:00 11455 cshl_word_list_grep 1.0.0 11537 -577 2013-10-21 10:42:00 11457 cshl_word_list_grep 1.0.0 11537 -577 2013-10-21 10:42:00 11281 Filter1 1.1.0 11538 -577 2013-10-21 10:42:00 11283 Filter1 1.1.0 11538 -577 2013-10-21 10:42:00 11361 Filter1 1.1.0 11538 -577 2013-10-21 10:42:00 11426 Filter1 1.1.0 11538 -578 2013-10-21 10:57:00 11798 cat1 1.0.0 11540 Remove_ending 1.0.0 -578 2013-10-21 10:57:00 11798 cat1 1.0.0 11541 Remove_ending 1.0.0 -578 2013-10-21 10:57:00 11798 cat1 1.0.0 11542 Remove_ending 1.0.0 -578 2013-10-21 10:57:00 11798 cat1 1.0.0 11543 Remove_ending 1.0.0 -578 2013-10-21 10:57:00 11798 cat1 1.0.0 11544 Remove_ending 1.0.0 -578 2013-10-21 10:57:00 11798 cat1 1.0.0 11545 Remove_ending 1.0.0 -578 2013-10-21 10:57:00 11798 cat1 1.0.0 11546 Remove_ending 1.0.0 -578 2013-10-21 10:57:00 11798 cat1 1.0.0 11547 Remove_ending 1.0.0 -578 2013-10-21 10:57:00 11617 cat1 1.0.0 11549 Remove_ending 1.0.0 -578 2013-10-21 10:57:00 11617 cat1 1.0.0 11550 Remove_ending 1.0.0 -578 2013-10-21 10:57:00 11798 cat1 1.0.0 11551 Remove_ending 1.0.0 -578 2013-10-21 10:57:00 11659 cat1 1.0.0 11552 Remove_ending 1.0.0 -578 2013-10-21 10:57:00 11625 Remove beginning1 1.0.0 11554 heatmapper 1.3 -578 2013-10-21 10:57:00 11631 Remove beginning1 1.0.0 11556 heatmapper 1.3 -578 2013-10-21 10:57:00 11621 Remove beginning1 1.0.0 11557 heatmapper 1.3 -578 2013-10-21 10:57:00 11634 heatmapper 1.3 11565 Filter1 1.1.0 -578 2013-10-21 10:57:00 11635 heatmapper 1.3 11566 Filter1 1.1.0 -578 2013-10-21 10:57:00 11603 Filter1 1.1.0 11568 cshl_word_list_grep 1.0.0 -578 2013-10-21 10:57:00 11604 Filter1 1.1.0 11568 cshl_word_list_grep 1.0.0 -578 2013-10-21 10:57:00 11605 Filter1 1.1.0 11568 cshl_word_list_grep 1.0.0 -578 2013-10-21 10:57:00 11607 Filter1 1.1.0 11568 cshl_word_list_grep 1.0.0 -578 2013-10-21 10:57:00 11611 Filter1 1.1.0 11568 cshl_word_list_grep 1.0.0 -578 2013-10-21 10:57:00 11612 Filter1 1.1.0 11568 cshl_word_list_grep 1.0.0 -578 2013-10-21 10:57:00 11695 Filter1 1.1.0 11569 cshl_word_list_grep 1.0.0 -578 2013-10-21 10:57:00 11697 Filter1 1.1.0 11569 cshl_word_list_grep 1.0.0 -578 2013-10-21 10:57:00 11698 Filter1 1.1.0 11569 cshl_word_list_grep 1.0.0 -578 2013-10-21 10:57:00 11699 Filter1 1.1.0 11569 cshl_word_list_grep 1.0.0 -578 2013-10-21 10:57:00 11700 Filter1 1.1.0 11569 cshl_word_list_grep 1.0.0 -578 2013-10-21 10:57:00 11701 Filter1 1.1.0 11569 cshl_word_list_grep 1.0.0 -578 2013-10-21 10:57:00 11703 Filter1 1.1.0 11570 cshl_word_list_grep 1.0.0 -578 2013-10-21 10:57:00 11811 Filter1 1.1.0 11570 cshl_word_list_grep 1.0.0 -578 2013-10-21 10:57:00 11812 Filter1 1.1.0 11570 cshl_word_list_grep 1.0.0 -578 2013-10-21 10:57:00 11813 Filter1 1.1.0 11570 cshl_word_list_grep 1.0.0 -578 2013-10-21 10:57:00 11816 Filter1 1.1.0 11570 cshl_word_list_grep 1.0.0 -578 2013-10-21 10:57:00 11643 Filter1 1.1.0 11571 cshl_word_list_grep 1.0.0 -578 2013-10-21 10:57:00 11820 Filter1 1.1.0 11571 cshl_word_list_grep 1.0.0 -578 2013-10-21 10:57:00 11821 Filter1 1.1.0 11571 cshl_word_list_grep 1.0.0 -578 2013-10-21 10:57:00 11711 Remove_ending 1.0.0 11572 Remove beginning1 1.0.0 -578 2013-10-21 10:57:00 11618 Paste1 1.0.0 11576 Paste1 1.0.0 -578 2013-10-21 10:57:00 11712 Remove_ending 1.0.0 11580 Remove beginning1 1.0.0 -578 2013-10-21 10:57:00 11661 Remove_ending 1.0.0 11581 Remove beginning1 1.0.0 -578 2013-10-21 10:57:00 11616 Paste1 1.0.0 11583 Cut1 1.0.2 -578 2013-10-21 10:57:00 11618 Paste1 1.0.0 11584 Cut1 1.0.2 -578 2013-10-21 10:57:00 11576 Paste1 1.0.0 11585 Paste1 1.0.0 -578 2013-10-21 10:57:00 11713 Remove beginning1 1.0.0 11586 heatmapper 1.3 -578 2013-10-21 10:57:00 11617 cat1 1.0.0 11587 Remove_ending 1.0.0 -578 2013-10-21 10:57:00 11716 Remove beginning1 1.0.0 11589 heatmapper 1.3 -578 2013-10-21 10:57:00 11724 Remove beginning1 1.0.0 11593 heatmapper 1.3 -578 2013-10-21 10:57:00 11720 Remove beginning1 1.0.0 11594 heatmapper 1.3 -578 2013-10-21 10:57:00 11628 Remove beginning1 1.0.0 11598 heatmapper 1.3 -578 2013-10-21 10:57:00 11617 cat1 1.0.0 11599 Remove_ending 1.0.0 -578 2013-10-21 10:57:00 11617 cat1 1.0.0 11600 Remove_ending 1.0.0 -578 2013-10-21 10:57:00 11735 Remove_ending 1.0.0 11601 Remove beginning1 1.0.0 -578 2013-10-21 10:57:00 11602 heatmapper 1.3 11608 Filter1 1.1.0 -578 2013-10-21 10:57:00 11633 heatmapper 1.3 11609 Filter1 1.1.0 -578 2013-10-21 10:57:00 11616 Paste1 1.0.0 11618 Paste1 1.0.0 -578 2013-10-21 10:57:00 11652 Remove_ending 1.0.0 11619 Remove beginning1 1.0.0 -578 2013-10-21 10:57:00 11822 Remove_ending 1.0.0 11620 Remove beginning1 1.0.0 -578 2013-10-21 10:57:00 11650 Remove_ending 1.0.0 11625 Remove beginning1 1.0.0 -578 2013-10-21 10:57:00 11714 Remove_ending 1.0.0 11628 Remove beginning1 1.0.0 -578 2013-10-21 10:57:00 11690 Remove_ending 1.0.0 11629 Remove beginning1 1.0.0 -578 2013-10-21 10:57:00 11660 Remove_ending 1.0.0 11630 Remove beginning1 1.0.0 -578 2013-10-21 10:57:00 11656 Remove_ending 1.0.0 11631 Remove beginning1 1.0.0 -578 2013-10-21 10:57:00 11655 Remove beginning1 1.0.0 11632 heatmapper 1.3 -578 2013-10-21 10:57:00 11693 Remove beginning1 1.0.0 11633 heatmapper 1.3 -578 2013-10-21 10:57:00 11762 Remove beginning1 1.0.0 11635 heatmapper 1.3 -578 2013-10-21 10:57:00 11705 heatmapper 1.3 11639 heatmapper 1.3 -578 2013-10-21 10:57:00 11801 heatmapper 1.3 11640 Filter1 1.1.0 -578 2013-10-21 10:57:00 11802 heatmapper 1.3 11641 Filter1 1.1.0 -578 2013-10-21 10:57:00 11803 heatmapper 1.3 11642 Filter1 1.1.0 -578 2013-10-21 10:57:00 11804 heatmapper 1.3 11643 Filter1 1.1.0 -578 2013-10-21 10:57:00 11809 Remove beginning1 1.0.0 11645 heatmapper 1.3 -578 2013-10-21 10:57:00 11799 heatmapper 1.3 11646 Filter1 1.1.0 -578 2013-10-21 10:57:00 11828 Remove_ending 1.0.0 11649 Remove beginning1 1.0.0 -578 2013-10-21 10:57:00 11659 cat1 1.0.0 11652 Remove_ending 1.0.0 -578 2013-10-21 10:57:00 11750 Cut1 1.0.2 11657 Filter1 1.1.0 -578 2013-10-21 10:57:00 11785 Cut1 1.0.2 11659 cat1 1.0.0 -578 2013-10-21 10:57:00 11659 cat1 1.0.0 11661 Remove_ending 1.0.0 -578 2013-10-21 10:57:00 11734 Remove beginning1 1.0.0 11664 heatmapper 1.3 -578 2013-10-21 10:57:00 11709 Remove beginning1 1.0.0 11665 heatmapper 1.3 -578 2013-10-21 10:57:00 11581 Remove beginning1 1.0.0 11670 heatmapper 1.3 -578 2013-10-21 10:57:00 11672 heatmapper 1.3 11684 Filter1 1.1.0 -578 2013-10-21 10:57:00 11732 heatmapper 1.3 11686 Filter1 1.1.0 -578 2013-10-21 10:57:00 11743 heatmapper 1.3 11687 Filter1 1.1.0 -578 2013-10-21 10:57:00 11576 Paste1 1.0.0 11689 Cut1 1.0.2 -578 2013-10-21 10:57:00 11659 cat1 1.0.0 11692 Remove_ending 1.0.0 -578 2013-10-21 10:57:00 11773 Remove_ending 1.0.0 11693 Remove beginning1 1.0.0 -578 2013-10-21 10:57:00 11592 heatmapper 1.3 11695 Filter1 1.1.0 -578 2013-10-21 10:57:00 11598 heatmapper 1.3 11701 Filter1 1.1.0 -578 2013-10-21 10:57:00 11556 heatmapper 1.3 11702 Filter1 1.1.0 -578 2013-10-21 10:57:00 11555 heatmapper 1.3 11703 Filter1 1.1.0 -578 2013-10-21 10:57:00 11779 Remove_ending 1.0.0 11704 Remove beginning1 1.0.0 -578 2013-10-21 10:57:00 11777 Remove_ending 1.0.0 11706 Remove beginning1 1.0.0 -578 2013-10-21 10:57:00 11550 Remove_ending 1.0.0 11710 Remove beginning1 1.0.0 -578 2013-10-21 10:57:00 11659 cat1 1.0.0 11711 Remove_ending 1.0.0 -578 2013-10-21 10:57:00 11617 cat1 1.0.0 11712 Remove_ending 1.0.0 -578 2013-10-21 10:57:00 11663 Remove_ending 1.0.0 11716 Remove beginning1 1.0.0 -578 2013-10-21 10:57:00 11662 Remove_ending 1.0.0 11717 Remove beginning1 1.0.0 -578 2013-10-21 10:57:00 11669 Remove_ending 1.0.0 11718 Remove beginning1 1.0.0 -578 2013-10-21 10:57:00 11659 cat1 1.0.0 11723 Remove_ending 1.0.0 -578 2013-10-21 10:57:00 11756 Remove_ending 1.0.0 11725 Remove beginning1 1.0.0 -578 2013-10-21 10:57:00 11648 Remove_ending 1.0.0 11726 Remove beginning1 1.0.0 -578 2013-10-21 10:57:00 11588 Remove_ending 1.0.0 11728 Remove beginning1 1.0.0 -578 2013-10-21 10:57:00 11659 cat1 1.0.0 11729 Remove_ending 1.0.0 -578 2013-10-21 10:57:00 11572 Remove beginning1 1.0.0 11731 heatmapper 1.3 -578 2013-10-21 10:57:00 11761 Remove beginning1 1.0.0 11738 heatmapper 1.3 -578 2013-10-21 10:57:00 11768 Remove beginning1 1.0.0 11741 heatmapper 1.3 -578 2013-10-21 10:57:00 11765 Remove beginning1 1.0.0 11742 heatmapper 1.3 -578 2013-10-21 10:57:00 11770 Remove beginning1 1.0.0 11743 heatmapper 1.3 -578 2013-10-21 10:57:00 11767 Remove beginning1 1.0.0 11744 heatmapper 1.3 -578 2013-10-21 10:57:00 11751 cshl_word_list_grep 1.0.0 11746 Cut1 1.0.2 -578 2013-10-21 10:57:00 11753 cshl_word_list_grep 1.0.0 11748 Cut1 1.0.2 -578 2013-10-21 10:57:00 11569 cshl_word_list_grep 1.0.0 11750 Cut1 1.0.2 -578 2013-10-21 10:57:00 11564 Filter1 1.1.0 11751 cshl_word_list_grep 1.0.0 -578 2013-10-21 10:57:00 11681 Filter1 1.1.0 11751 cshl_word_list_grep 1.0.0 -578 2013-10-21 10:57:00 11682 Filter1 1.1.0 11751 cshl_word_list_grep 1.0.0 -578 2013-10-21 10:57:00 11683 Filter1 1.1.0 11751 cshl_word_list_grep 1.0.0 -578 2013-10-21 10:57:00 11610 Filter1 1.1.0 11753 cshl_word_list_grep 1.0.0 -578 2013-10-21 10:57:00 11788 Filter1 1.1.0 11753 cshl_word_list_grep 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beginning1 1.0.0 -578 2013-10-21 10:57:00 11544 Remove_ending 1.0.0 11762 Remove beginning1 1.0.0 -578 2013-10-21 10:57:00 11543 Remove_ending 1.0.0 11763 Remove beginning1 1.0.0 -578 2013-10-21 10:57:00 11542 Remove_ending 1.0.0 11764 Remove beginning1 1.0.0 -578 2013-10-21 10:57:00 11541 Remove_ending 1.0.0 11765 Remove beginning1 1.0.0 -578 2013-10-21 10:57:00 11552 Remove_ending 1.0.0 11767 Remove beginning1 1.0.0 -578 2013-10-21 10:57:00 11583 Cut1 1.0.2 11771 cat1 1.0.0 -578 2013-10-21 10:57:00 11585 Paste1 1.0.0 11775 Cut1 1.0.2 -578 2013-10-21 10:57:00 11599 Remove_ending 1.0.0 11776 Remove beginning1 1.0.0 -578 2013-10-21 10:57:00 11758 Remove_ending 1.0.0 11778 Remove beginning1 1.0.0 -578 2013-10-21 10:57:00 11659 cat1 1.0.0 11784 Remove_ending 1.0.0 -578 2013-10-21 10:57:00 11585 Paste1 1.0.0 11785 Cut1 1.0.2 -578 2013-10-21 10:57:00 11664 heatmapper 1.3 11791 Filter1 1.1.0 -578 2013-10-21 10:57:00 11677 heatmapper 1.3 11792 Filter1 1.1.0 -578 2013-10-21 10:57:00 11674 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-from keras.models import model_from_json, Sequential -from keras.layers import Dense, GRU, Dropout -from keras.layers.embeddings import Embedding -from keras.layers.core import SpatialDropout1D -from keras.optimizers import RMSprop from keras import backend as K @@ -37,17 +32,6 @@ workflows_file.write(workflow_paths_unique) -def load_saved_model(model_config, model_weights): - """ - Load the saved trained model using the saved network and its weights - """ - # load the network - loaded_model = model_from_json(model_config) - # load the saved weights into the model - loaded_model.set_weights(model_weights) - return loaded_model - - def format_tool_id(tool_link): """ Extract tool id from tool link @@ -57,22 +41,6 @@ return tool_id -def get_HDF5(hf, d_key): - """ - Read h5 file to get train and test data - """ - return hf.get(d_key).value - - -def save_HDF5(hf_file, d_key, data, d_type=""): - """ - Save datasets as h5 file - """ - if (d_type == 'json'): - data = json.dumps(data) - hf_file.create_dataset(d_key, data=data) - - def set_trained_model(dump_file, model_values): """ Create an h5 file with the trained weights and associated dicts @@ -100,44 +68,6 @@ os.remove(file_path) -def extract_configuration(config_object): - config_loss = dict() - for index, item in enumerate(config_object): - config_loss[index] = list() - d_config = dict() - d_config['loss'] = item['result']['loss'] - d_config['params_config'] = item['misc']['vals'] - config_loss[index].append(d_config) - return config_loss - - -def get_best_parameters(mdl_dict): - """ - Get param values (defaults as well) - """ - lr = float(mdl_dict.get("learning_rate", "0.001")) - embedding_size = int(mdl_dict.get("embedding_size", "512")) - dropout = float(mdl_dict.get("dropout", "0.2")) - recurrent_dropout = float(mdl_dict.get("recurrent_dropout", "0.2")) - spatial_dropout = float(mdl_dict.get("spatial_dropout", "0.2")) - units = int(mdl_dict.get("units", "512")) - batch_size = int(mdl_dict.get("batch_size", "512")) - activation_recurrent = mdl_dict.get("activation_recurrent", "elu") - activation_output = mdl_dict.get("activation_output", "sigmoid") - - return { - "lr": lr, - "embedding_size": embedding_size, - "dropout": dropout, - "recurrent_dropout": recurrent_dropout, - "spatial_dropout": spatial_dropout, - "units": units, - "batch_size": batch_size, - "activation_recurrent": activation_recurrent, - "activation_output": activation_output, - } - - def weighted_loss(class_weights): """ Create a weighted loss function. Penalise the misclassification @@ -152,27 +82,6 @@ return weighted_binary_crossentropy -def set_recurrent_network(mdl_dict, reverse_dictionary, class_weights): - """ - Create a RNN network and set its parameters - """ - dimensions = len(reverse_dictionary) + 1 - model_params = get_best_parameters(mdl_dict) - - # define the architecture of the neural network - model = Sequential() - model.add(Embedding(dimensions, model_params["embedding_size"], mask_zero=True)) - model.add(SpatialDropout1D(model_params["spatial_dropout"])) - model.add(GRU(model_params["units"], dropout=model_params["spatial_dropout"], recurrent_dropout=model_params["recurrent_dropout"], activation=model_params["activation_recurrent"], return_sequences=True)) - model.add(Dropout(model_params["dropout"])) - model.add(GRU(model_params["units"], dropout=model_params["spatial_dropout"], recurrent_dropout=model_params["recurrent_dropout"], activation=model_params["activation_recurrent"], return_sequences=False)) - model.add(Dropout(model_params["dropout"])) - model.add(Dense(dimensions, activation=model_params["activation_output"])) - optimizer = RMSprop(lr=model_params["lr"]) - model.compile(loss=weighted_loss(class_weights), optimizer=optimizer) - return model, model_params - - def compute_precision(model, x, y, reverse_data_dictionary, next_compatible_tools, usage_scores, actual_classes_pos, topk): """ Compute absolute and compatible precision