def set_up_experiment(args, input_, probs, labels): # Set up objective function cross_entropy = lbann.CrossEntropy([probs, labels]) layers = list(lbann.traverse_layer_graph(input_)) weights = set() for l in layers: weights.update(l.weights) # scale = weight decay l2_reg = lbann.L2WeightRegularization(weights=weights, scale=1e-4) objective_function = lbann.ObjectiveFunction([cross_entropy, l2_reg]) # Set up model top1 = lbann.CategoricalAccuracy([probs, labels]) top5 = lbann.TopKCategoricalAccuracy([probs, labels], k=5) metrics = [lbann.Metric(top1, name='top-1 accuracy', unit='%'), lbann.Metric(top5, name='top-5 accuracy', unit='%')] callbacks = [lbann.CallbackPrint(), lbann.CallbackTimer(), lbann.CallbackDropFixedLearningRate( drop_epoch=[30, 60], amt=0.1)] model = lbann.Model(args.mini_batch_size, args.num_epochs, layers=layers, weights=weights, objective_function=objective_function, metrics=metrics, callbacks=callbacks) # Load data reader from prototext data_reader_proto = lbann.lbann_pb2.LbannPB() with open(args.data_reader, 'r') as f: txtf.Merge(f.read(), data_reader_proto) data_reader_proto = data_reader_proto.data_reader # Set up optimizer if args.optimizer == 'sgd': print('Creating sgd optimizer') optimizer = lbann.optimizer.SGD( learn_rate=args.optimizer_learning_rate, momentum=0.9, nesterov=True ) else: optimizer = lbann.contrib.args.create_optimizer(args) # Save prototext to args.prototext if args.prototext: lbann.proto.save_prototext(args.prototext, model=model, optimizer=optimizer, data_reader=data_reader_proto) return model, data_reader_proto, optimizer
def set_up_experiment(args, input_, probs, labels): # Set up objective function cross_entropy = lbann.CrossEntropy([probs, labels]) layers = list(lbann.traverse_layer_graph(input_)) l2_reg_weights = set() for l in layers: if type(l) == lbann.Convolution or type(l) == lbann.FullyConnected: l2_reg_weights.update(l.weights) # scale = weight decay l2_reg = lbann.L2WeightRegularization(weights=l2_reg_weights, scale=1e-4) objective_function = lbann.ObjectiveFunction([cross_entropy, l2_reg]) # Set up model top1 = lbann.CategoricalAccuracy([probs, labels]) top5 = lbann.TopKCategoricalAccuracy([probs, labels], k=5) metrics = [ lbann.Metric(top1, name='top-1 accuracy', unit='%'), lbann.Metric(top5, name='top-5 accuracy', unit='%') ] callbacks = [ lbann.CallbackPrint(), lbann.CallbackTimer(), lbann.CallbackDropFixedLearningRate(drop_epoch=[30, 60], amt=0.1) ] model = lbann.Model(args.num_epochs, layers=layers, objective_function=objective_function, metrics=metrics, callbacks=callbacks) # Set up data reader data_reader = data.imagenet.make_data_reader(num_classes=args.num_classes) # Set up optimizer if args.optimizer == 'sgd': print('Creating sgd optimizer') optimizer = lbann.optimizer.SGD( learn_rate=args.optimizer_learning_rate, momentum=0.9, nesterov=True) else: optimizer = lbann.contrib.args.create_optimizer(args) # Setup trainer trainer = lbann.Trainer(mini_batch_size=args.mini_batch_size) return trainer, model, data_reader, optimizer
def construct_model(run_args): """Construct LBANN model. Initial model for ATOM molecular VAE """ import lbann print("Dump model dir ", run_args.dump_model_dir) assert run_args.dump_model_dir, "evaluate script asssumes a pretrained WAE model" pad_index = run_args.pad_index assert pad_index is not None sequence_length = run_args.sequence_length assert sequence_length is not None print("sequence length is {}".format(sequence_length)) data_layout = "data_parallel" # Layer graph input_ = lbann.Identity(lbann.Input(name='inp', data_field='samples'), name='inp1') wae_loss = [] input_feature_dims = sequence_length embedding_size = run_args.embedding_dim dictionary_size = run_args.num_embeddings assert embedding_size is not None assert dictionary_size is not None save_output = True if run_args.dump_outputs_dir else False print("save output? ", save_output, "out dir ", run_args.dump_outputs_dir) z = lbann.Gaussian(mean=0.0, stdev=1.0, neuron_dims=run_args.z_dim) waemodel = molwae.MolWAE(input_feature_dims, dictionary_size, embedding_size, pad_index, run_args.z_dim, save_output) recon, d1_real, d1_fake, d_adv, arg_max = waemodel(input_, z) zero = lbann.Constant(value=0.0, num_neurons='1', name='zero') one = lbann.Constant(value=1.0, num_neurons='1', name='one') d1_real_bce = lbann.SigmoidBinaryCrossEntropy([d1_real, one], name='d1_real_bce') d1_fake_bce = lbann.SigmoidBinaryCrossEntropy([d1_fake, zero], name='d1_fake_bce') d_adv_bce = lbann.SigmoidBinaryCrossEntropy([d_adv, one], name='d_adv_bce') wae_loss.append(recon) layers = list(lbann.traverse_layer_graph(input_)) # Setup objective function weights = set() src_layers = [] dst_layers = [] for l in layers: if (l.weights and "disc0" in l.name and "instance1" in l.name): src_layers.append(l.name) #freeze weights in disc2 if (l.weights and "disc1" in l.name): dst_layers.append(l.name) for idx in range(len(l.weights)): l.weights[idx].optimizer = lbann.NoOptimizer() weights.update(l.weights) l2_weights = [ w for w in weights if not isinstance(w.optimizer, lbann.NoOptimizer) ] l2_reg = lbann.L2WeightRegularization(weights=l2_weights, scale=1e-4) wae_loss.append(d1_real_bce) wae_loss.append(d_adv_bce) wae_loss.append(d1_fake_bce) wae_loss.append(l2_reg) print("LEN wae loss ", len(wae_loss)) obj = lbann.ObjectiveFunction(wae_loss) # Initialize check metric callback metrics = [ lbann.Metric(d_adv_bce, name='adv_loss'), lbann.Metric(recon, name='recon') ] callbacks = [ lbann.CallbackPrint(), #lbann.CallbackStepLearningRate(step=10, amt=0.5), lbann.CallbackTimer() ] callbacks.append( lbann.CallbackReplaceWeights(source_layers=list2str(src_layers), destination_layers=list2str(dst_layers), batch_interval=2)) #Dump output (activation) for post processing if (run_args.dump_outputs_dir): pred_tensor = lbann.Concatenation(arg_max, name='pred_tensor') callbacks.append( lbann.CallbackDumpOutputs( batch_interval=run_args.dump_outputs_interval, execution_modes='test', directory=run_args.dump_outputs_dir, layers=f'inp pred_tensor {waemodel.q_mu.name}')) # Construct model return lbann.Model(run_args.num_epochs, weights=weights, layers=layers, objective_function=obj, metrics=metrics, callbacks=callbacks)
def setup(data_reader_file, name='classifier', num_labels=200, mini_batch_size=128, num_epochs=1000, learning_rate=0.1, bn_statistics_group_size=2, fc_data_layout='model_parallel', warmup_epochs=50, learning_rate_drop_interval=50, learning_rate_drop_factor=0.25, checkpoint_interval=None): # Setup input data input = lbann.Input(target_mode = 'classification') images = lbann.Identity(input) labels = lbann.Identity(input) # Classification network head_cnn = modules.ResNet(bn_statistics_group_size=bn_statistics_group_size) class_fc = lbann.modules.FullyConnectedModule(num_labels, activation=lbann.Softmax, name=f'{name}_fc', data_layout=fc_data_layout) x = head_cnn(images) probs = class_fc(x) # Setup objective function cross_entropy = lbann.CrossEntropy([probs, labels]) l2_reg_weights = set() for l in lbann.traverse_layer_graph(input): if type(l) == lbann.Convolution or type(l) == lbann.FullyConnected: l2_reg_weights.update(l.weights) l2_reg = lbann.L2WeightRegularization(weights=l2_reg_weights, scale=0.0002) obj = lbann.ObjectiveFunction([cross_entropy, l2_reg]) # Setup model metrics = [lbann.Metric(lbann.CategoricalAccuracy([probs, labels]), name='accuracy', unit='%')] callbacks = [lbann.CallbackPrint(), lbann.CallbackTimer()] if checkpoint_interval: callbacks.append( lbann.CallbackCheckpoint( checkpoint_dir='ckpt', checkpoint_epochs=5 ) ) # Learning rate schedules if warmup_epochs: callbacks.append( lbann.CallbackLinearGrowthLearningRate( target=learning_rate * mini_batch_size / 128, num_epochs=warmup_epochs ) ) if learning_rate_drop_factor: callbacks.append( lbann.CallbackDropFixedLearningRate( drop_epoch=list(range(0, num_epochs, learning_rate_drop_interval)), amt=learning_rate_drop_factor) ) # Construct model model = lbann.Model(num_epochs, layers=lbann.traverse_layer_graph(input), objective_function=obj, metrics=metrics, callbacks=callbacks) # Setup optimizer # opt = lbann.Adam(learn_rate=learning_rate, beta1=0.9, beta2=0.999, eps=1e-8) opt = lbann.SGD(learn_rate=learning_rate, momentum=0.9) # Load data reader from prototext data_reader_proto = lbann.lbann_pb2.LbannPB() with open(data_reader_file, 'r') as f: google.protobuf.text_format.Merge(f.read(), data_reader_proto) data_reader_proto = data_reader_proto.data_reader for reader_proto in data_reader_proto.reader: reader_proto.python.module_dir = os.path.dirname(os.path.realpath(__file__)) # Return experiment objects return model, data_reader_proto, opt
def construct_model(run_args): """Construct LBANN model. Initial model for ATOM molecular VAE """ import lbann pad_index = run_args.pad_index assert pad_index is not None sequence_length = run_args.sequence_length assert sequence_length is not None print("sequence length is {}".format(sequence_length)) data_layout = "data_parallel" # Layer graph input_ = lbann.Identity(lbann.Input(name='inp', target_mode="N/A"), name='inp1') vae_loss = [] input_feature_dims = sequence_length embedding_size = run_args.embedding_dim dictionary_size = run_args.num_embeddings assert embedding_size is not None assert dictionary_size is not None kl, recon = molvae.MolVAE(input_feature_dims, dictionary_size, embedding_size, pad_index)(input_) vae_loss.append(kl) vae_loss.append(recon) print("LEN vae loss ", len(vae_loss)) layers = list(lbann.traverse_layer_graph(input_)) # Setup objective function weights = set() for l in layers: weights.update(l.weights) l2_reg = lbann.L2WeightRegularization(weights=weights, scale=5e-4) obj = lbann.ObjectiveFunction(vae_loss) # Initialize check metric callback metrics = [ lbann.Metric(kl, name='kl_loss'), lbann.Metric(recon, name='recon') ] callbacks = [lbann.CallbackPrint(), lbann.CallbackTimer()] if (run_args.dump_weights_interval > 0): callbacks.append( lbann.CallbackDumpWeights( directory=run_args.dump_weights_dir, epoch_interval=run_args.dump_weights_interval)) if (run_args.ltfb): send_name = ('' if run_args.weights_to_send == 'All' else run_args.weights_to_send) #hack for Merlin empty string weights_to_ex = [w.name for w in weights if send_name in w.name] print("LTFB Weights to exchange ", weights_to_ex) callbacks.append( lbann.CallbackLTFB(batch_interval=run_args.ltfb_batch_interval, metric='recon', weights=list2str(weights_to_ex), low_score_wins=True, exchange_hyperparameters=True)) if (run_args.warmup): callbacks.append( lbann.CallbackLinearGrowthLearningRate(target=run_args.lr / 512 * run_args.batch_size, num_epochs=5)) # Construct model return lbann.Model(run_args.num_epochs, weights=weights, layers=layers, objective_function=obj, metrics=metrics, callbacks=callbacks)
bin_cross_entropy = lbann.SigmoidBinaryCrossEntropy([decode1, image], name="bin_cross_entropy") bin_cross_entropy_sum = lbann.Reduction(bin_cross_entropy, name="bin_cross_entropy_sum", mode="sum") mean_squared_error = lbann.MeanSquaredError([reconstruction, image], name="mean_squared_error") layer_list = list(lbann.traverse_layer_graph(input_)) # Set up objective function layer_term1 = lbann.LayerTerm(bin_cross_entropy) layer_term2 = lbann.LayerTerm(kldiv) l2_reg = lbann.L2WeightRegularization(scale=0.0005) obj = lbann.ObjectiveFunction([layer_term1, layer_term2, l2_reg]) # Metrics metrics = [lbann.Metric(mean_squared_error, name="mean squared error")] # Callbacks callbacks = [ lbann.CallbackPrint(), lbann.CallbackTimer(), lbann.CallbackSaveImages(layers="image reconstruction", image_format="jpg") ] # Setup Model model = lbann.Model(args.num_epochs, layers=layer_list,
def construct_macc_surrogate_model(xdim, ydim, zdim, wae_mcf, surrogate_mcf, lambda_cyc, useCNN, dump_models, pretrained_dir, ltfb_batch_interval, num_epochs): """Construct MACC surrogate model. See https://arxiv.org/pdf/1912.08113.pdf model architecture and other details """ # Layer graph input = lbann.Input(data_field='samples', name='inp_data') # data is 64*64*4 images + 15 scalar + 5 param inp_slice = lbann.Slice(input, axis=0, slice_points=str_list([0, ydim, ydim + xdim]), name='inp_slice') gt_y = lbann.Identity(inp_slice, name='gt_y') gt_x = lbann.Identity(inp_slice, name='gt_x') #param not used zero = lbann.Constant(value=0.0, num_neurons='1', name='zero') one = lbann.Constant(value=1.0, num_neurons='1', name='one') z = lbann.Gaussian(mean=0.0, stdev=1.0, neuron_dims="20") wae = macc_network_architectures.MACCWAE( zdim, ydim, cf=wae_mcf, use_CNN=useCNN) #pretrained, freeze inv = macc_network_architectures.MACCInverse(xdim, cf=surrogate_mcf) fwd = macc_network_architectures.MACCForward(zdim, cf=surrogate_mcf) y_pred_fwd = wae.encoder(gt_y) param_pred_ = wae.encoder(gt_y) input_fake = inv(param_pred_) output_cyc = fwd(input_fake) y_image_re2 = wae.decoder(output_cyc) '''**** Train cycleGAN input params <--> latent space of (images, scalars) ****''' output_fake = fwd(gt_x) y_image_re = wae.decoder(output_fake) param_pred2_ = wae.encoder(y_image_re) input_cyc = inv(param_pred2_) L_l2_x = lbann.MeanSquaredError(input_fake, gt_x) L_cyc_x = lbann.MeanSquaredError(input_cyc, gt_x) L_l2_y = lbann.MeanSquaredError(output_fake, y_pred_fwd) L_cyc_y = lbann.MeanSquaredError(output_cyc, y_pred_fwd) #@todo slice here to separate scalar from image img_sca_loss = lbann.MeanSquaredError(y_image_re, gt_y) #L_cyc = L_cyc_y + L_cyc_x L_cyc = lbann.Add(L_cyc_y, L_cyc_x) #loss_gen0 = L_l2_y + lamda_cyc*L_cyc loss_gen0 = lbann.WeightedSum([L_l2_y, L_cyc], scaling_factors=f'1 {lambda_cyc}') loss_gen1 = lbann.WeightedSum([L_l2_x, L_cyc_y], scaling_factors=f'1 {lambda_cyc}') #loss_gen1 = L_l2_x + lamda_cyc*L_cyc_y layers = list(lbann.traverse_layer_graph(input)) weights = set() #Freeze appropriate (pretrained) weights pretrained_models = ["wae"] #add macc? for l in layers: for idx in range(len(pretrained_models)): if (l.weights and pretrained_models[idx] in l.name): for w in range(len(l.weights)): l.weights[w].optimizer = lbann.NoOptimizer() weights.update(l.weights) l2_reg = lbann.L2WeightRegularization(weights=weights, scale=1e-4) #d_adv_bce = lbann.LayerTerm(d_adv_bce,scale=0.01) # Setup objective function obj = lbann.ObjectiveFunction([loss_gen0, loss_gen1, l2_reg]) # Initialize check metric callback metrics = [ lbann.Metric(img_sca_loss, name='fw_loss'), lbann.Metric(L_l2_x, name='inverse loss'), lbann.Metric(L_cyc_y, name='output cycle loss'), lbann.Metric(L_cyc_x, name='param cycle loss') ] callbacks = [ lbann.CallbackPrint(), lbann.CallbackSaveModel(dir=dump_models), lbann.CallbackLoadModel(dirs=str(pretrained_dir)), lbann.CallbackTimer() ] if (ltfb_batch_interval > 0): callbacks.append( lbann.CallbackLTFB(batch_interval=ltfb_batch_interval, metric='fw_loss', low_score_wins=True, exchange_hyperparameters=True)) # Construct model return lbann.Model(num_epochs, weights=weights, layers=layers, metrics=metrics, objective_function=obj, callbacks=callbacks)
def construct_jag_wae_model(ydim, zdim, mcf, useCNN, dump_models, ltfb_batch_interval, num_epochs): """Construct LBANN model. JAG Wasserstein autoencoder model """ # Layer graph input = lbann.Input(data_field='samples', name='inp_data') # data is 64*64*4 images + 15 scalar + 5 param #inp_slice = lbann.Slice(input, axis=0, slice_points="0 16399 16404",name='inp_slice') inp_slice = lbann.Slice(input, axis=0, slice_points=str_list([0, ydim, ydim + 5]), name='inp_slice') gt_y = lbann.Identity(inp_slice, name='gt_y') gt_x = lbann.Identity(inp_slice, name='gt_x') #param not used zero = lbann.Constant(value=0.0, num_neurons='1', name='zero') one = lbann.Constant(value=1.0, num_neurons='1', name='one') z_dim = 20 #Latent space dim z = lbann.Gaussian(mean=0.0, stdev=1.0, neuron_dims="20") model = macc_network_architectures.MACCWAE(zdim, ydim, cf=mcf, use_CNN=useCNN) d1_real, d1_fake, d_adv, pred_y = model(z, gt_y) d1_real_bce = lbann.SigmoidBinaryCrossEntropy([d1_real, one], name='d1_real_bce') d1_fake_bce = lbann.SigmoidBinaryCrossEntropy([d1_fake, zero], name='d1_fake_bce') d_adv_bce = lbann.SigmoidBinaryCrossEntropy([d_adv, one], name='d_adv_bce') img_loss = lbann.MeanSquaredError([pred_y, gt_y]) rec_error = lbann.L2Norm2( lbann.WeightedSum([pred_y, gt_y], scaling_factors="1 -1")) layers = list(lbann.traverse_layer_graph(input)) # Setup objective function weights = set() src_layers = [] dst_layers = [] for l in layers: if (l.weights and "disc0" in l.name and "instance1" in l.name): src_layers.append(l.name) #freeze weights in disc2 if (l.weights and "disc1" in l.name): dst_layers.append(l.name) for idx in range(len(l.weights)): l.weights[idx].optimizer = lbann.NoOptimizer() weights.update(l.weights) l2_reg = lbann.L2WeightRegularization(weights=weights, scale=1e-4) d_adv_bce = lbann.LayerTerm(d_adv_bce, scale=0.01) obj = lbann.ObjectiveFunction( [d1_real_bce, d1_fake_bce, d_adv_bce, img_loss, rec_error, l2_reg]) # Initialize check metric callback metrics = [lbann.Metric(img_loss, name='recon_error')] #pred_y = macc_models.MACCWAE.pred_y_name callbacks = [ lbann.CallbackPrint(), lbann.CallbackTimer(), lbann.CallbackPrintModelDescription(), lbann.CallbackSaveModel(dir=dump_models), lbann.CallbackReplaceWeights(source_layers=list2str(src_layers), destination_layers=list2str(dst_layers), batch_interval=2) ] if (ltfb_batch_interval > 0): callbacks.append( lbann.CallbackLTFB(batch_interval=ltfb_batch_interval, metric='recon_error', low_score_wins=True, exchange_hyperparameters=True)) # Construct model return lbann.Model(num_epochs, weights=weights, layers=layers, metrics=metrics, objective_function=obj, callbacks=callbacks)
top1 = lbann.CategoricalAccuracy(probs, labels) top5 = lbann.TopKCategoricalAccuracy(probs, labels, k=5) layers = list(lbann.traverse_layer_graph(input_)) # Setup tensor core operations (just to demonstrate enum usage) tensor_ops_mode = lbann.ConvTensorOpsMode.NO_TENSOR_OPS for l in layers: if type(l) == lbann.Convolution: l.conv_tensor_op_mode = tensor_ops_mode # Setup objective function l2_reg_weights = set() for l in layers: if type(l) == lbann.Convolution or type(l) == lbann.FullyConnected: l2_reg_weights.update(l.weights) l2_reg = lbann.L2WeightRegularization(weights=l2_reg_weights, scale=1e-4) obj = lbann.ObjectiveFunction([cross_entropy, l2_reg]) # Setup model metrics = [ lbann.Metric(top1, name='top-1 accuracy', unit='%'), lbann.Metric(top5, name='top-5 accuracy', unit='%') ] callbacks = [ lbann.CallbackPrint(), lbann.CallbackTimer(), lbann.CallbackDropFixedLearningRate(drop_epoch=[30, 60, 80], amt=0.1) ] if args.warmup: callbacks.append( lbann.CallbackLinearGrowthLearningRate(target=0.1 *
# Construct layer graph input = lbann.Input() images = lbann.Identity(input) labels = lbann.Identity(input) preds = lbann.models.AlexNet(imagenet_labels)(images) probs = lbann.Softmax(preds) cross_entropy = lbann.CrossEntropy([probs, labels]) top1 = lbann.CategoricalAccuracy([probs, labels]) top5 = lbann.TopKCategoricalAccuracy([probs, labels], k=5) layers = list(lbann.traverse_layer_graph(input)) # Setup objective function weights = set() for l in layers: weights.update(l.weights) l2_reg = lbann.L2WeightRegularization(weights=weights, scale=5e-4) obj = lbann.ObjectiveFunction([cross_entropy, l2_reg]) # Setup model metrics = [ lbann.Metric(top1, name='top-1 accuracy', unit='%'), lbann.Metric(top5, name='top-5 accuracy', unit='%') ] callbacks = [ lbann.CallbackPrint(), lbann.CallbackTimer(), lbann.CallbackDropFixedLearningRate(drop_epoch=[20, 40, 60], amt=0.1) ] model = lbann.Model(args.mini_batch_size, args.num_epochs, layers=layers,
def setup(num_patches=3, mini_batch_size=512, num_epochs=75, learning_rate=0.005, bn_statistics_group_size=2, fc_data_layout='model_parallel', warmup=True, checkpoint_interval=None): # Data dimensions patch_dims = patch_generator.patch_dims num_labels = patch_generator.num_labels(num_patches) # Extract tensors from data sample input = lbann.Input() slice_points = [0] for _ in range(num_patches): patch_size = functools.reduce(operator.mul, patch_dims) slice_points.append(slice_points[-1] + patch_size) slice_points.append(slice_points[-1] + num_labels) sample = lbann.Slice(input, slice_points=str_list(slice_points)) patches = [ lbann.Reshape(sample, dims=str_list(patch_dims)) for _ in range(num_patches) ] labels = lbann.Identity(sample) # Siamese network head_cnn = modules.ResNet( bn_statistics_group_size=bn_statistics_group_size) heads = [head_cnn(patch) for patch in patches] heads_concat = lbann.Concatenation(heads) # Classification network class_fc1 = modules.FcBnRelu( 4096, statistics_group_size=bn_statistics_group_size, name='siamese_class_fc1', data_layout=fc_data_layout) class_fc2 = modules.FcBnRelu( 4096, statistics_group_size=bn_statistics_group_size, name='siamese_class_fc2', data_layout=fc_data_layout) class_fc3 = lbann.modules.FullyConnectedModule(num_labels, activation=lbann.Softmax, name='siamese_class_fc3', data_layout=fc_data_layout) x = class_fc1(heads_concat) x = class_fc2(x) probs = class_fc3(x) # Setup objective function cross_entropy = lbann.CrossEntropy([probs, labels]) l2_reg_weights = set() for l in lbann.traverse_layer_graph(input): if type(l) == lbann.Convolution or type(l) == lbann.FullyConnected: l2_reg_weights.update(l.weights) l2_reg = lbann.L2WeightRegularization(weights=l2_reg_weights, scale=0.0002) obj = lbann.ObjectiveFunction([cross_entropy, l2_reg]) # Setup model metrics = [ lbann.Metric(lbann.CategoricalAccuracy([probs, labels]), name='accuracy', unit='%') ] callbacks = [lbann.CallbackPrint(), lbann.CallbackTimer()] if checkpoint_interval: callbacks.append( lbann.CallbackCheckpoint(checkpoint_dir='ckpt', checkpoint_epochs=5)) # Learning rate schedules if warmup: callbacks.append( lbann.CallbackLinearGrowthLearningRate(target=learning_rate * mini_batch_size / 128, num_epochs=5)) callbacks.append( lbann.CallbackDropFixedLearningRate(drop_epoch=list(range(0, 100, 15)), amt=0.25)) # Construct model model = lbann.Model(num_epochs, layers=lbann.traverse_layer_graph(input), objective_function=obj, metrics=metrics, callbacks=callbacks) # Setup optimizer opt = lbann.SGD(learn_rate=learning_rate, momentum=0.9) # opt = lbann.Adam(learn_rate=learning_rate, beta1=0.9, beta2=0.999, eps=1e-8) # Setup data reader data_reader = make_data_reader(num_patches) # Return experiment objects return model, data_reader, opt
def construct_model(): """Construct LBANN model. JAG Wasserstein autoencoder model """ import lbann # Layer graph input = lbann.Input(target_mode='N/A',name='inp_data') # data is 64*64*4 images + 15 scalar + 5 param inp_slice = lbann.Slice(input, axis=0, slice_points="0 16399 16404",name='inp_slice') gt_y = lbann.Identity(inp_slice,name='gt_y') gt_x = lbann.Identity(inp_slice, name='gt_x') #param not used zero = lbann.Constant(value=0.0,num_neurons='1',name='zero') one = lbann.Constant(value=1.0,num_neurons='1',name='one') y_dim = 16399 #image+scalar shape z_dim = 20 #Latent space dim z = lbann.Gaussian(mean=0.0,stdev=1.0, neuron_dims="20") d1_real, d1_fake, d_adv, pred_y = jag_models.WAE(z_dim,y_dim)(z,gt_y) d1_real_bce = lbann.SigmoidBinaryCrossEntropy([d1_real,one],name='d1_real_bce') d1_fake_bce = lbann.SigmoidBinaryCrossEntropy([d1_fake,zero],name='d1_fake_bce') d_adv_bce = lbann.SigmoidBinaryCrossEntropy([d_adv,one],name='d_adv_bce') img_loss = lbann.MeanSquaredError([pred_y,gt_y]) rec_error = lbann.L2Norm2(lbann.WeightedSum([pred_y,gt_y], scaling_factors="1 -1")) layers = list(lbann.traverse_layer_graph(input)) # Setup objective function weights = set() src_layers = [] dst_layers = [] for l in layers: if(l.weights and "disc0" in l.name and "instance1" in l.name): src_layers.append(l.name) #freeze weights in disc2 if(l.weights and "disc1" in l.name): dst_layers.append(l.name) for idx in range(len(l.weights)): l.weights[idx].optimizer = lbann.NoOptimizer() weights.update(l.weights) l2_reg = lbann.L2WeightRegularization(weights=weights, scale=1e-4) d_adv_bce = lbann.LayerTerm(d_adv_bce,scale=0.01) obj = lbann.ObjectiveFunction([d1_real_bce,d1_fake_bce,d_adv_bce,img_loss,rec_error,l2_reg]) # Initialize check metric callback metrics = [lbann.Metric(img_loss, name='recon_error')] callbacks = [lbann.CallbackPrint(), lbann.CallbackTimer(), lbann.CallbackReplaceWeights(source_layers=list2str(src_layers), destination_layers=list2str(dst_layers), batch_interval=2)] # Construct model num_epochs = 100 return lbann.Model(num_epochs, weights=weights, layers=layers, metrics=metrics, objective_function=obj, callbacks=callbacks)
def construct_model(run_args): """Construct LBANN model. Initial model for ATOM molecular VAE """ import lbann pad_index = run_args.pad_index assert pad_index is not None sequence_length = run_args.sequence_length assert sequence_length is not None print("sequence length is {}".format(sequence_length)) data_layout = "data_parallel" # Layer graph input_ = lbann.Identity(lbann.Input(name='inp', target_mode="N/A"), name='inp1') vae_loss = [] input_feature_dims = sequence_length embedding_size = run_args.embedding_dim dictionary_size = run_args.num_embeddings assert embedding_size is not None assert dictionary_size is not None save_output = True if run_args.dump_outputs_dir else False print("save output? ", save_output, "out dir ", run_args.dump_outputs_dir) z = lbann.Gaussian(mean=0.0, stdev=1.0, neuron_dims="128") recon, d1_real, d1_fake, d_adv, arg_max = molwae.MolWAE( input_feature_dims, dictionary_size, embedding_size, pad_index, save_output)(input_, z) zero = lbann.Constant(value=0.0, num_neurons='1', name='zero') one = lbann.Constant(value=1.0, num_neurons='1', name='one') d1_real_bce = lbann.SigmoidBinaryCrossEntropy([d1_real, one], name='d1_real_bce') d1_fake_bce = lbann.SigmoidBinaryCrossEntropy([d1_fake, zero], name='d1_fake_bce') d_adv_bce = lbann.SigmoidBinaryCrossEntropy([d_adv, one], name='d_adv_bce') vae_loss.append(recon) layers = list(lbann.traverse_layer_graph(input_)) # Setup objective function weights = set() src_layers = [] dst_layers = [] for l in layers: if (l.weights and "disc0" in l.name and "instance1" in l.name): src_layers.append(l.name) #freeze weights in disc2 if (l.weights and "disc1" in l.name): dst_layers.append(l.name) for idx in range(len(l.weights)): l.weights[idx].optimizer = lbann.NoOptimizer() weights.update(l.weights) l2_reg = lbann.L2WeightRegularization(weights=weights, scale=1e-4) vae_loss.append(d1_real_bce) vae_loss.append(d_adv_bce) vae_loss.append(d1_fake_bce) vae_loss.append(l2_reg) print("LEN vae loss ", len(vae_loss)) obj = lbann.ObjectiveFunction(vae_loss) # Initialize check metric callback metrics = [ lbann.Metric(d_adv_bce, name='adv_loss'), lbann.Metric(recon, name='recon') ] callbacks = [ lbann.CallbackPrint(), #lbann.CallbackStepLearningRate(step=10, amt=0.5), lbann.CallbackTimer() ] if (run_args.dump_weights_interval > 0): callbacks.append( lbann.CallbackDumpWeights( directory=run_args.dump_weights_dir, epoch_interval=run_args.dump_weights_interval)) if (run_args.ltfb): send_name = ('' if run_args.weights_to_send == 'All' else run_args.weights_to_send) #hack for Merlin empty string weights_to_ex = [w.name for w in weights if send_name in w.name] print("LTFB Weights to exchange ", weights_to_ex) callbacks.append( lbann.CallbackLTFB(batch_interval=run_args.ltfb_batch_interval, metric='recon', weights=list2str(weights_to_ex), low_score_wins=True, exchange_hyperparameters=True)) callbacks.append( lbann.CallbackReplaceWeights(source_layers=list2str(src_layers), destination_layers=list2str(dst_layers), batch_interval=2)) #Dump final weight for inference if (run_args.dump_model_dir): callbacks.append(lbann.CallbackSaveModel(dir=run_args.dump_model_dir)) #Dump output (activation) for post processing if (run_args.dump_outputs_dir): pred_tensor = lbann.Concatenation(arg_max, name='pred_tensor') callbacks.append( lbann.CallbackDumpOutputs( batch_interval=run_args.dump_outputs_interval, execution_modes='test', directory=run_args.dump_outputs_dir, layers='inp pred_tensor')) if (run_args.warmup): callbacks.append( lbann.CallbackLinearGrowthLearningRate(target=run_args.lr / 512 * run_args.batch_size, num_epochs=5)) # Construct model return lbann.Model(run_args.num_epochs, weights=weights, layers=layers, objective_function=obj, metrics=metrics, callbacks=callbacks)
relu6 = lbann.Relu(deconv1, name="relu6") decode1 = lbann.FullyConnected(relu6, name="decode1", hint_layer=image, has_bias=True) reconstruction = lbann.Sigmoid(decode1, name="reconstruction") # Reconstruction mean_squared_error = lbann.MeanSquaredError([reconstruction, image], name="mean_squared_error") layer_term = lbann.LayerTerm(mean_squared_error) scale_factor = lbann.L2WeightRegularization(scale=0.0005) obj = lbann.ObjectiveFunction([layer_term, scale_factor]) metrics = [lbann.Metric(mean_squared_error, name=mean_squared_error.name)] img_strategy = lbann.TrackSampleIDsStrategy(input_layer_name=input_.name, num_tracked_images=20) summarize_images = lbann.CallbackSummarizeImages( selection_strategy=img_strategy, image_source_layer_name=reconstruction.name, epoch_interval=10) # Dump original image from input layer one time (high epoch interval) summarize_input_layer = lbann.CallbackSummarizeImages( selection_strategy=img_strategy,