Here is an autoencoder I created from Pytorch tutorials :
epochs = 1000
from pylab import plt
plt.style.use('seaborn')
import torch.utils.data as data_utils
import torch
import torchvision
import torch.nn as nn
from torch.autograd import Variable
cuda = torch.cuda.is_available()
FloatTensor = torch.cuda.FloatTensor if cuda else torch.FloatTensor
import numpy as np
import pandas as pd
import datetime as dt
features = torch.tensor(np.array([ [1,2,3],[1,2,3],[100,200,500] ]))
print(features)
batch = 10
data_loader = torch.utils.data.DataLoader(features, batch_size=2, shuffle=False)
encoder = nn.Sequential(nn.Linear(3,batch), nn.Sigmoid())
decoder = nn.Sequential(nn.Linear(batch,3), nn.Sigmoid())
autoencoder = nn.Sequential(encoder, decoder)
optimizer = torch.optim.Adam(params=autoencoder.parameters(), lr=0.001)
encoded_images = []
for i in range(epochs):
for j, images in enumerate(data_loader):
# images = images.view(images.size(0), -1)
images = Variable(images).type(FloatTensor)
optimizer.zero_grad()
reconstructions = autoencoder(images)
loss = torch.dist(images, reconstructions)
loss.backward()
optimizer.step()
# encoded_images.append(encoder(images))
# print(decoder(torch.tensor(np.array([1,2,3])).type(FloatTensor)))
encoded_images = []
for j, images in enumerate(data_loader):
images = images.view(images.size(0), -1)
images = Variable(images).type(FloatTensor)
encoded_images.append(encoder(images))
I can see the encoded images do have newly created dimension of 10. In order to understand the matrix operations going on under the hood I'm attempting to print the matrix dimensions of encoder and decoder but shape is not available on nn.Sequential
How to print the matrix dimensions of nn.Sequential ?
A nn.Sequential is not a "layer", but rather a "container". It can store several layers and manage their execution (and some other functionalities).
In your case, each nn.Sequential holds both the linear layer and the non-linear nn.Sigmoid activation. To get the shape of the weights of the first layer in a nn.Sequential you can simply do:
encoder[0].weight.shape
Related
I'm trying to develop a multitask deep neural network (MTDNN) to make prediction on small molecule bioactivity against kinase targets and something is definitely wrong with my model structure but I can't figure out what.
For my training data (highly imbalanced data with 0 as inactive and 1 as active), I have 423 unique kinase targets (tasks) and over 400k unique compounds. I first calculate the ECFP fingerprint using smiles, and then I randomly split the input data into train, test, and valid sets based on 8:1:1 ratio using RandomStratifiedSplitter from deepchem package. After training my model using the train set and I want to make prediction on the test set to check model performance.
Here's what my data looks like (screenshot example):
(https://i.stack.imgur.com/8Hp36.png)
Here's my code:
# Import Packages
import numpy as np
import pandas as pd
import deepchem as dc
from sklearn.metrics import roc_auc_score, roc_curve, auc, confusion_matrix
import tensorflow as tf
from tensorflow import keras
from tensorflow.keras import initializers, regularizers
from tensorflow.keras.models import Sequential, Model
from tensorflow.keras.layers import Dense, Input, Dropout, Reshape
from tensorflow.keras.optimizers import SGD
from rdkit import Chem
from rdkit.Chem import rdMolDescriptors
# Build Model
inputs = keras.Input(shape = (1024, ))
x = keras.layers.Dense(2000, activation='relu', name="dense2000",
kernel_initializer=initializers.RandomNormal(stddev=0.02),
bias_initializer=initializers.Ones(),
kernel_regularizer=regularizers.L2(l2=.0001))(inputs)
x = keras.layers.Dropout(rate=0.25)(x)
x = keras.layers.Dense(500, activation='relu', name='dense500')(x)
x = keras.layers.Dropout(rate=0.25)(x)
x = keras.layers.Dense(846, activation='relu', name='output1')(x)
logits = Reshape([423, 2])(x)
outputs = keras.layers.Softmax(axis=2)(logits)
Model1 = keras.Model(inputs=inputs, outputs=outputs, name='MTDNN')
Model1.summary()
opt = keras.optimizers.SGD(learning_rate=.0003, momentum=0.9)
def loss_function (output, labels):
loss = tf.nn.softmax_cross_entropy_with_logits(output,labels)
return loss
loss_fn = loss_function
Model1.compile(loss=loss_fn, optimizer=opt,
metrics=[keras.metrics.Accuracy(),
keras.metrics.AUC(),
keras.metrics.Precision(),
keras.metrics.Recall()])
for train, test, valid in split2:
trainX = pd.DataFrame(train.X)
trainy = pd.DataFrame(train.y)
trainy2 = tf.one_hot(trainy,2)
testX = pd.DataFrame(test.X)
testy = pd.DataFrame(test.y)
testy2 = tf.one_hot(testy,2)
validX = pd.DataFrame(valid.X)
validy = pd.DataFrame(valid.y)
validy2 = tf.one_hot(validy,2)
history = Model1.fit(x=trainX, y=trainy2,
shuffle=True,
epochs=10,
verbose=1,
batch_size=100,
validation_data=(validX, validy2))
y_pred = Model1.predict(testX)
y_pred2 = y_pred[:, :, 1]
y_pred3 = np.round(y_pred2)
# Check the # of nonzero in assay
(y_pred3!=0).sum () #all 0s
My questions are:
The roc and precision recall are all extremely high (>0.99), but the prediction result of test set contains all 0s, no actives at all. I also use the randomized dataset with same active:inactive ratio for each task to test if those values are too good to be true, and turns out all values are still above 0.99, including roc which is expected to be 0.5.
Can anyone help me to identify what is wrong with my model and how should I fix it please?
Can I use built-in functions in sklearn to calculate roc/accuracy/precision-recall? Or should I manually calculate the metrics based on confusion matrix on my own for multitasking purpose. Why and why not?
I got a ValueError when using TensorFlow to create a model. Based on the error there is a problem that occurs with the kernel regularizer applied on the Conv2D layer and the mean squared error function. I used the L1 regularizer provided by the TensorFlow keras package. I've tried setting different values for the L1 regularization factor and even setting the value to 0, but I get the same error.
Context: Creating a model that predicts phenotype traits given genotypes and phenotypes datasets. The genotype input data has 4276 samples, and the input shape that the model takes is (28220,1). My labels represent the phenotype data. The labels include 4276 samples with 20 as the number of phenotype traits in the dataset. In this model we use differential privacy(DP) and add it to a CNN model which uses the Mean squared error loss function and the DPKerasAdamOptimizer to add DP. I'm just wondering if MSE would be a good choice as a loss function?
from __future__ import absolute_import
from __future__ import division
from __future__ import print_function
!pip install tensorflow-privacy
import numpy as np
import tensorflow as tf
from tensorflow_privacy import *
import tensorflow_privacy
from matplotlib import pyplot as plt
import pylab as pl
import numpy as np
import pandas as pd
from tensorflow.keras.models import Model
from tensorflow.keras import datasets, layers, models, losses
from tensorflow.keras import backend as bke
from tensorflow.keras.optimizers import Adam
from tensorflow.keras.regularizers import l1, l2, l1_l2 #meaning of norm
from sklearn import preprocessing
from sklearn.model_selection import train_test_split
batch_size = 32
epochs = 4
microbatches = 8
inChannel = 1
kr = 0#1e-5
num_kernels=8
drop_perc=0.25
dim = 1
l2_norm_clip = 1.5
noise_multiplier = 1.3
learning_rate = 0.25
latent_dim = 0
def print_datashape():
print('genotype data: ', genotype_data.shape)
print('phenotype data: ', single_pheno.shape)
genotype_data = tf.random.uniform([4276, 28220],1,3, dtype=tf.dtypes.int32)
phenotype_data = tf.random.uniform([4276, 20],-4.359688,34,dtype=tf.dtypes.float32)
genotype_data = genotype_data.numpy()
phenotype_data = phenotype_data.numpy()
small_geno = genotype_data
single_pheno = phenotype_data[:, 1]
print_datashape()
df = small_geno
min_max_scaler = preprocessing.MinMaxScaler()
df = min_max_scaler.fit_transform(df)
scaled_pheno = min_max_scaler.fit_transform(single_pheno.reshape(-1,1)).reshape(-1)
feature_size= df.shape[1]
df = df.reshape(-1, feature_size, 1, 1)
print("df: ", df.shape)
print("scaled: ", scaled_pheno.shape)
# split train to train and valid
train_data,test_data,train_Y,test_Y = train_test_split(df, scaled_pheno, test_size=0.2, random_state=13)
train_X,valid_X,train_Y,valid_Y = train_test_split(train_data, train_Y, test_size=0.2, random_state=13)
def print_shapes():
print('train_X: {}'.format(train_X.shape))
print('train_Y: {}'.format(train_Y.shape))
print('valid_X: {}'.format(valid_X.shape))
print('valid_Y: {}'.format(valid_Y.shape))
input_shape= (feature_size, dim, inChannel)
predictor = tf.keras.Sequential()
predictor.add(layers.Conv2D(num_kernels, (5,1), padding='same', strides=(12, 1), activation='relu', kernel_regularizer=tf.keras.regularizers.L1(kr),input_shape= input_shape))
predictor.add(layers.AveragePooling2D(pool_size=(2,1)))
predictor.add(layers.Dropout(drop_perc))
predictor.add(layers.Flatten())
predictor.add(layers.Dense(int(feature_size / 4), activation='relu'))
predictor.add(layers.Dropout(drop_perc))
predictor.add(layers.Dense(int(feature_size / 10), activation='relu'))
predictor.add(layers.Dropout(drop_perc))
predictor.add(layers.Dense(1))
mse = tf.keras.losses.MeanSquaredError(reduction=tf.keras.losses.Reduction.NONE)
optimizer = DPKerasAdamOptimizer(learning_rate=learning_rate, l2_norm_clip=l2_norm_clip, noise_multiplier=noise_multiplier, num_microbatches=microbatches)
# compile
predictor.compile(loss=mse, optimizer=optimizer, metrics=['mse'])
#summary
predictor.summary()
print_shapes()
predictor.fit(train_X, train_Y,batch_size=batch_size,epochs=epochs,verbose=1, validation_data=(valid_X, valid_Y))
ValueError: Shapes must be equal rank, but are 1 and 0
From merging shape 0 with other shapes. for '{{node AddN}} = AddN[N=2, T=DT_FLOAT](mean_squared_error/weighted_loss/Mul, conv2d_2/kernel/Regularizer/mul)' with input shapes: [?], [].
I want to implement Grad-CAM on my own network, should I save my model and load it, then treat my saved model like VGG-16, then do similar operations?
I tried to search on the internet, and I found that all methods are based on famous models, not their owns.
So I wonder, maybe I just need to treat my own model as VGG-16, then do similar things.
Hi i have one solution in pytorch
import torch
import torch.nn as nn
from torch.utils import data
from torchvision import transforms
from torchvision import datasets
import matplotlib.pyplot as plt
import numpy as np
# use the ImageNet transformation
transform = transforms.Compose([transforms.Resize((224, 224)),
transforms.ToTensor(),
transforms.Normalize(mean=[0.485, 0.456, 0.406], std=[0.229, 0.224, 0.225])])
# define a 1 image dataset
dataset = datasets.ImageFolder(root='./data/Elephant/', transform=transform)
# define the dataloader to load that single image
dataloader = data.DataLoader(dataset=dataset, shuffle=False, batch_size=1)
vgg19 = Mymodel() ## create an object of your model
vgg19.load_state_dict(torch.load("your_vgg19_weights"))
class VGG(nn.Module):
def __init__(self):
super(VGG, self).__init__()
# get the pretrained VGG19 network
self.vgg = vgg19
# disect the network to access its last convolutional layer
self.features_conv = self.vgg.features[:36] # 36th layer was my last conv layer
# get the max pool of the features stem
self.max_pool = nn.MaxPool2d(kernel_size=2, stride=2, padding=0, dilation=1, ceil_mode=False)
# get the classifier of the vgg19
self.classifier = self.vgg.classifier
# placeholder for the gradients
self.gradients = None
# hook for the gradients of the activations
def activations_hook(self, grad):
self.gradients = grad
def forward(self, x):
x = self.features_conv(x)
# register the hook
h = x.register_hook(self.activations_hook)
# apply the remaining pooling
x = self.max_pool(x)
x = x.view((1, -1))
x = self.classifier(x)
return x
# method for the gradient extraction
def get_activations_gradient(self):
return self.gradients
# method for the activation exctraction
def get_activations(self, x):
return self.features_conv(x)
vgg = VGG()
# set the evaluation mode
vgg.eval()
# get the image from the dataloader
img, _ = next(iter(dataloader))
# get the most likely prediction of the model
pred_class = vgg(img).argmax(dim=1).numpy()[0]
pred = vgg(img)
pred[:, pred_class].backward()
# pull the gradients out of the model
gradients = vgg.get_activations_gradient()
# pool the gradients across the channels
pooled_gradients = torch.mean(gradients, dim=[0, 2, 3])
# get the activations of the last convolutional layer
activations = vgg.get_activations(img).detach()
# weight the channels by corresponding gradients
for i in range(512):
activations[:, i, :, :] *= pooled_gradients[i]
# average the channels of the activations
heatmap = torch.mean(activations, dim=1).squeeze()
# relu on top of the heatmap
# expression (2) in https://arxiv.org/pdf/1610.02391.pdf
heatmap = np.maximum(heatmap, 0)
# normalize the heatmap
heatmap /= torch.max(heatmap)
heatmap = heatmap.numpy()
import cv2
img = cv2.imread('./data/Elephant/data/05fig34.jpg')
heatmap = cv2.resize(heatmap, (img.shape[1], img.shape[0]))
heatmap = np.uint8(255 * heatmap)
heatmap = cv2.applyColorMap(heatmap, cv2.COLORMAP_JET)
superimposed_img = heatmap * 0.4 + img
cv2.imwrite('./map.jpg', superimposed_img) ###saves gradcam visualization image
Using this mnist image classification model :
%reset -f
import torch
import torch.nn as nn
import torchvision
import torchvision.transforms as transforms
import torch
import torch.nn as nn
import torchvision
import torchvision.transforms as transforms
import torch.utils.data as data_utils
import numpy as np
import matplotlib.pyplot as plt
from sklearn.datasets import make_moons
from matplotlib import pyplot
from pandas import DataFrame
import torchvision.datasets as dset
import os
import torch.nn.functional as F
import time
import random
import pickle
from sklearn.metrics import confusion_matrix
import pandas as pd
import sklearn
trans = transforms.Compose([transforms.ToTensor(), transforms.Normalize((0.5,), (1.0,))])
root = './data'
if not os.path.exists(root):
os.mkdir(root)
train_set = dset.MNIST(root=root, train=True, transform=trans, download=True)
test_set = dset.MNIST(root=root, train=False, transform=trans, download=True)
batch_size = 64
train_loader = torch.utils.data.DataLoader(
dataset=train_set,
batch_size=batch_size,
shuffle=True)
test_loader = torch.utils.data.DataLoader(
dataset=test_set,
batch_size=batch_size,
shuffle=True)
class NeuralNet(nn.Module):
def __init__(self):
super(NeuralNet, self).__init__()
self.fc1 = nn.Linear(28*28, 500)
self.fc2 = nn.Linear(500, 256)
self.fc3 = nn.Linear(256, 2)
def forward(self, x):
x = x.view(-1, 28*28)
x = F.relu(self.fc1(x))
x = F.relu(self.fc2(x))
x = self.fc3(x)
return x
num_epochs = 2
random_sample_size = 200
values_0_or_1 = [t for t in train_set if (int(t[1]) == 0 or int(t[1]) == 1)]
values_0_or_1_testset = [t for t in test_set if (int(t[1]) == 0 or int(t[1]) == 1)]
print(len(values_0_or_1))
print(len(values_0_or_1_testset))
train_loader_subset = torch.utils.data.DataLoader(
dataset=values_0_or_1,
batch_size=batch_size,
shuffle=True)
test_loader_subset = torch.utils.data.DataLoader(
dataset=values_0_or_1_testset,
batch_size=batch_size,
shuffle=False)
train_loader = train_loader_subset
# Hyper-parameters
input_size = 100
hidden_size = 100
num_classes = 2
# learning_rate = 0.00001
learning_rate = .0001
# Device configuration
device = 'cpu'
print_progress_every_n_epochs = 1
model = NeuralNet().to(device)
# Loss and optimizer
criterion = nn.CrossEntropyLoss()
optimizer = torch.optim.Adam(model.parameters(), lr=learning_rate)
N = len(train_loader)
# Train the model
total_step = len(train_loader)
most_recent_prediction = []
test_actual_predicted_dict = {}
rm = random.sample(list(values_0_or_1), random_sample_size)
train_loader_subset = data_utils.DataLoader(rm, batch_size=4)
for epoch in range(num_epochs):
for i, (images, labels) in enumerate(train_loader_subset):
# Move tensors to the configured device
images = images.reshape(-1, 2).to(device)
labels = labels.to(device)
# Forward pass
outputs = model(images)
loss = criterion(outputs, labels)
# Backward and optimize
optimizer.zero_grad()
loss.backward()
optimizer.step()
if (epoch) % print_progress_every_n_epochs == 0:
print ('Epoch [{}/{}], Step [{}/{}], Loss: {:.4f}'.format(epoch+1, num_epochs, i+1, total_step, loss.item()))
predicted_test = []
model.eval() # eval mode (batchnorm uses moving mean/variance instead of mini-batch mean/variance)
probs_l = []
predicted_values = []
actual_values = []
labels_l = []
with torch.no_grad():
for images, labels in test_loader_subset:
images = images.to(device)
labels = labels.to(device)
outputs = model(images)
_, predicted = torch.max(outputs.data, 1)
predicted_test.append(predicted.cpu().numpy())
sm = torch.nn.Softmax()
probabilities = sm(outputs)
probs_l.append(probabilities)
labels_l.append(labels.cpu().numpy())
predicted_values.append(np.concatenate(predicted_test).ravel())
actual_values.append(np.concatenate(labels_l).ravel())
if (epoch) % 1 == 0:
print('test accuracy : ', 100 * len((np.where(np.array(predicted_values[0])==(np.array(actual_values[0])))[0])) / len(actual_values[0]))
I'm to attempting to integrate 'Local Interpretable Model-Agnostic Explanations for machine learning classifiers' : https://marcotcr.github.io/lime/
It appears PyTorch support is not enabled as it is not mentioned in doc and following tutorial :
https://marcotcr.github.io/lime/tutorials/Tutorial%20-%20images.html
With my updated code for PyTorch :
from lime import lime_image
import time
explainer = lime_image.LimeImageExplainer()
explanation = explainer.explain_instance(images[0].reshape(28,28), model(images[0]), top_labels=5, hide_color=0, num_samples=1000)
Causes error :
/opt/conda/lib/python3.6/site-packages/skimage/color/colorconv.py in gray2rgb(image, alpha)
830 is_rgb = False
831 is_alpha = False
--> 832 dims = np.squeeze(image).ndim
833
834 if dims == 3:
AttributeError: 'Tensor' object has no attribute 'ndim'
So appears tensorflow object is expected here ?
How to integrate LIME with PyTorch image classification ?
Here's my solution:
Lime expects an image input of type numpy. This is why you get the attribute error and a solution would be to convert the image (from Tensor) to numpy before passing it to the explainer object. Another solution would be to select a specific image with the test_loader_subset and convert it with img = img.numpy().
Secondly, in order to make LIME work with pytorch (or any other framework), you'll need to specify a batch prediction function which outputs the prediction scores of each class for each image. The name of this function (here I've called it batch_predict) is then passed to explainer.explain_instance(img, batch_predict, ...). The batch_predict needs to loop through all images passed to it, convert them to Tensor, make a prediction and finally return the prediction score list (with numpy values). This is how I got it working.
Note also that the images need to have shape (... ,... ,3) or (... ,... ,1) in order to be properly segmented by the default segmentation algorithm. This means that you might have to use np.transpose(img, (...)). You may specify the segmentation algorithm as well if the results are poor.
Finally you'll need to display the LIME image mask on top of the original image. This snippet shows how this may be done:
from skimage.segmentation import mark_boundaries
temp, mask = explanation.get_image_and_mask(explanation.top_labels[0], positive_only=False, num_features=5, hide_rest=False)
img_boundry = mark_boundaries(temp, mask)
plt.imshow(img_boundry)
plt.show()
This notebook is a good reference:
https://github.com/marcotcr/lime/blob/master/doc/notebooks/Tutorial%20-%20images%20-%20Pytorch.ipynb
I am giving variable size images (all 278 images of different size 139 of each category) input to my cnn model. As a fact that cnn required fixed size images, so from here i got solution for this is to make input_shape=(None,Nonen,1) (for tensorflow backend and gray scale). but this solution doesnot work with flatten layer, so from their only i got solution of using GlobleMaxpooling or Globalaveragepooling. So from uses these facrts i am making a cnn model in keras to train my network with following code:
import os,cv2
import numpy as np
from sklearn.utils import shuffle
from keras import backend as K
from keras.utils import np_utils
from keras.models import Sequential
from keras.optimizers import SGD,RMSprop,adam
from keras.layers import Conv2D, MaxPooling2D,BatchNormalization,GlobalAveragePooling2D
from keras.layers import Activation, Dropout, Flatten, Dense
from keras import regularizers
from keras import initializers
from skimage.io import imread_collection
from keras.preprocessing import image
from keras import Input
import keras
from keras import backend as K
#%%
PATH = os.getcwd()
# Define data path
data_path = PATH+'/current_exp'
data_dir_list = os.listdir(data_path)
img_rows=None
img_cols=None
num_channel=1
# Define the number of classes
num_classes = 2
img_data_list=[]
for dataset in data_dir_list:
img_list=os.listdir(data_path+'/'+ dataset)
print ('Loaded the images of dataset-'+'{}\n'.format(dataset))
for img in img_list:
input_img=cv2.imread(data_path + '/'+ dataset + '/'+ img,0)
img_data_list.append(input_img)
img_data = np.array(img_data_list)
if num_channel==1:
if K.image_dim_ordering()=='th':
img_data= np.expand_dims(img_data, axis=1)
print (img_data.shape)
else:
img_data= np.expand_dims(img_data, axis=4)
print (img_data.shape)
else:
if K.image_dim_ordering()=='th':
img_data=np.rollaxis(img_data,3,1)
print (img_data.shape)
#%%
num_classes = 2
#Total 278 sample, 139 for 0 category and 139 for category 1
num_of_samples = img_data.shape[0]
labels = np.ones((num_of_samples,),dtype='int64')
labels[0:138]=0
labels[138:]=1
x,y = shuffle(img_data,labels, random_state=2)
y = keras.utils.to_categorical(y, 2)
model = Sequential()
model.add(Conv2D(32,(2,2),input_shape=(None,None,1),activation='tanh',kernel_initializer=initializers.glorot_uniform(seed=100)))
model.add(Conv2D(32, (2,2),activation='tanh'))
model.add(MaxPooling2D(pool_size=(2, 2)))
model.add(Dropout(0.25))
model.add(Conv2D(64, (2,2),activation='tanh'))
model.add(Conv2D(64, (2,2),activation='tanh'))
model.add(MaxPooling2D())
model.add(Dropout(0.25))
#model.add(Flatten())
model.add(GlobalAveragePooling2D())
model.add(Dense(256,activation='tanh'))
model.add(Dropout(0.25))
model.add(Dense(2,activation='softmax'))
model.compile(loss='categorical_crossentropy',optimizer='rmsprop',metrics=['accuracy'])
model.fit(x, y,batch_size=1,epochs=5,verbose=1)
but i am getting following error:
ValueError: Error when checking input: expected conv2d_1_input to have 4 dimensions, but got array with shape (278, 1)
how to solve it.
In the docs for Conv2D it says that the input tensor has to be in this format:
(samples, channels, rows, cols)
I believe you can't have a variable input size unless your network is fully convolutional.
Maybe what you want to do is to keep it to a fixed input size, and just resize the image to that size before feeding it into your network?
Your array with input data cannot have variable dimensions (this is a numpy limitation).
So the array, instead of being a regular array of numbers with 4 dimensions is being created as an array of arrays.
You should fit each image individually because of this limitation.
for epoch in range(epochs):
for img,class in zip(x,y):
#expand the first dimension of the image to have a batch size
img = img.reshape((1,) + img.shape)) #print and check there are 4 dimensions, like (1, width, height, 1).
class = class.reshape((1,) + class.shape)) #print and check there are two dimensions, like (1, classes).
model.train_on_batch(img,class,....)