tf.GradientTape returns None for gradient - tensorflow

I am using tf.GradientTape().gradient() to compute a representer point, which can be used to compute the "influence" of a given training example on a given test example. A representer point for a given test example x_t and training example x_i is computed as the dot product of their feature representations, f_t and f_i, multiplied by a weight alpha_i.
Note: The details of this approach are not necessary for understanding the question, since the main issue is getting gradient tape to work. That being said, I have included a screenshot of the some of the details below for anyone who is interested.
Computing alpha_i requires differentiation, since it is expressed as the following:
In the equation above L is the standard loss function (categorical cross-entropy for multiclass classification) and phi is the pre-softmax activation output (so its length is the number of classes). Furthermore alpha_i can be further broken up into alpha_ij, which is computed with respect to a specific class j. Therefore, we just obtain the pre-softmax output phi_j corresponding to the predicted class of the test example (class with highest final prediction).
I have created a simple setup with MNIST and have implemented the following:
def simple_mnist_cnn(input_shape = (28,28,1)):
input = Input(shape=input_shape)
x = layers.Conv2D(32, kernel_size=(3, 3), activation="relu")(input)
x = layers.MaxPooling2D(pool_size=(2, 2))(x)
x = layers.Conv2D(64, kernel_size=(3, 3), activation="relu")(x)
x = layers.MaxPooling2D(pool_size=(2, 2))(x)
x = layers.Flatten()(x) # feature representation
output = layers.Dense(num_classes, activation=None)(x) # presoftmax activation output
activation = layers.Activation(activation='softmax')(output) # final output with activation
model = tf.keras.Model(input, [x, output, activation], name="mnist_model")
return model
Now assume the model is trained, and I want to compute the influence of a given train example on a given test example's prediction, perhaps for model understanding/debugging purposes.
with tf.GradientTape() as t1:
f_t, _, pred_t = model(x_t) # get features for misclassified example
f_i, presoftmax_i, pred_i = model(x_i)
# compute dot product of feature representations for x_t and x_i
dotps = tf.reduce_sum(
tf.multiply(f_t, f_i))
# get presoftmax output corresponding to highest predicted class of x_t
phi_ij = presoftmax_i[:,np.argmax(pred_t)]
# y_i is actual label for x_i
cl_loss_i = tf.keras.losses.categorical_crossentropy(pred_i, y_i)
alpha_ij = t1.gradient(cl_loss_i, phi_ij)
# note: alpha_ij returns None currently
k_ij = tf.reduce_sum(tf.multiply(alpha_i, dotps))
The code above gives the following error, since alpha_ij is None: ValueError: Attempt to convert a value (None) with an unsupported type (<class 'NoneType'>) to a Tensor.. However, if I change t1.gradient(cl_loss_i, phi_ij) -> t1.gradient(cl_loss_i, presoftmax_i), it no longer returns None. Not sure why this is the case? Is there an issue with computing gradients on sliced tensors? Is there an issue with "watching" too many variables? I haven't worked much with gradient tape so I'm not sure what the fix is, but would appreciate help.
For anyone who is interested, here are more details:

I never see you watch any tensors. Note that the tape only traces tf.Variable by default. Is this missing from your code? Else I don't see how t1.gradient(cl_loss_i, presoftmax_i) is working.
Either way, I think the easiest way to fix it is to do
all_gradients = t1.gradient(cl_loss_i, presoftmax_i)
desired_gradients = all_gradients[[:,np.argmax(pred_t)]]
so simply do the indexing after the gradient. Note that this can be wasteful (if there are many classes) as you are computing more gradients than you need.
The explanation for why (I believe) your version doesn't work would be easiest to show in a drawing, but let me try to explain: Imagine the computations in a directed graph. We have
presoftmax_i -> pred_i -> cl_loss_i
Backpropagating the loss to the presoftmax is easy. But then you set up another branch,
presoftmax_i -> presoftmax_ij
Now, when you try to compute the gradient of the loss with respect to presoftmax_ij, there is actually no backpropagation path (we can only follow arrows backwards). Another way to think about it: You compute presoftmax_ij after computing the loss. How could the loss depend on it then?

Related

tf.keras.layers.BatchNormalization with trainable=False appears to not update its internal moving mean and variance

I am trying to find out, how exactly does BatchNormalization layer behave in TensorFlow. I came up with the following piece of code which to the best of my knowledge should be a perfectly valid keras model, however the mean and variance of BatchNormalization doesn't appear to be updated.
From docs https://www.tensorflow.org/api_docs/python/tf/keras/layers/BatchNormalization
in the case of the BatchNormalization layer, setting trainable = False on the layer means that the layer will be subsequently run in inference mode (meaning that it will use the moving mean and the moving variance to normalize the current batch, rather than using the mean and variance of the current batch).
I expect the model to return a different value with each subsequent predict call.
What I see, however, are the exact same values returned 10 times.
Can anyone explain to me why does the BatchNormalization layer not update its internal values?
import tensorflow as tf
import numpy as np
if __name__ == '__main__':
np.random.seed(1)
x = np.random.randn(3, 5) * 5 + 0.3
bn = tf.keras.layers.BatchNormalization(trainable=False, epsilon=1e-9)
z = input = tf.keras.layers.Input([5])
z = bn(z)
model = tf.keras.Model(inputs=input, outputs=z)
for i in range(10):
print(x)
print(model.predict(x))
print()
I use TensorFlow 2.1.0
Okay, I found the mistake in my assumptions. The moving average is being updated during training not during inference as I thought. This makes perfect sense, as updating the moving averages during inference would likely result in an unstable production model (for example a long sequence of highly pathological input samples [e.g. such that their generating distribution differs drastically from the one on which the network was trained] could potentially bias the network and result in worse performance on valid input samples).
The trainable parameter is useful when you're fine-tuning a pretrained model and want to freeze some of the layers of the network even during training. Because when you call model.predict(x) (or even model(x) or model(x, training=False)), the layer automatically uses the moving averages instead of batch averages.
The code below demonstrates this clearly
import tensorflow as tf
import numpy as np
if __name__ == '__main__':
np.random.seed(1)
x = np.random.randn(10, 5) * 5 + 0.3
z = input = tf.keras.layers.Input([5])
z = tf.keras.layers.BatchNormalization(trainable=True, epsilon=1e-9, momentum=0.99)(z)
model = tf.keras.Model(inputs=input, outputs=z)
# a dummy loss function
model.compile(loss=lambda x, y: (x - y) ** 2)
# a dummy fit just to update the batchnorm moving averages
model.fit(x, x, batch_size=3, epochs=10)
# first predict uses the moving averages from training
pred = model(x).numpy()
print(pred.mean(axis=0))
print(pred.var(axis=0))
print()
# outputs the same thing as previous predict
pred = model(x).numpy()
print(pred.mean(axis=0))
print(pred.var(axis=0))
print()
# here calling the model with training=True results in update of moving averages
# furthermore, it uses the batch mean and variance as in training,
# so the result is very different
pred = model(x, training=True).numpy()
print(pred.mean(axis=0))
print(pred.var(axis=0))
print()
# here we see again that the moving averages are used but they differ slightly after
# the previous call, as expected
pred = model(x).numpy()
print(pred.mean(axis=0))
print(pred.var(axis=0))
print()
In the end, I found that the documentation (https://www.tensorflow.org/api_docs/python/tf/keras/layers/BatchNormalization) mentions this:
When performing inference using a model containing batch normalization, it is generally (though not always) desirable to use accumulated statistics rather than mini-batch statistics. This is accomplished by passing training=False when calling the model, or using model.predict.
Hopefully this will help someone with similar misunderstanding in the future.

What would be the output from tensorflow dense layer if we assign itself as input and output while making a neural network?

I have been going through the implementation of neural network in openAI code for any Vanilla Policy Gradient (As a matter of fact, this part is used nearly everywhere). The code looks something like this :
def mlp_categorical_policy(x, a, hidden_sizes, activation, output_activation, action_space):
act_dim = action_space.n
logits = mlp(x, list(hidden_sizes) + [act_dim], activation, None)
logp_all = tf.nn.log_softmax(logits)
pi = tf.squeeze(tf.random.categorical(logits, 1), axis=1)
logp = tf.reduce_sum(tf.one_hot(a, depth=act_dim) * logp_all, axis=1)
logp_pi = tf.reduce_sum(tf.one_hot(pi, depth=act_dim) * logp_all, axis=1)
return pi, logp, logp_pi
and this multi-layered perceptron network is defined as follows :
def mlp(x, hidden_sizes=(32,), activation=tf.tanh, output_activation=None):
for h in hidden_sizes[:-1]:
x = tf.layers.dense(inputs=x, units=h, activation=activation)
return tf.layers.dense(inputs=x, units=hidden_sizes[-1], activation=output_activation)
My question is what is the return from this mlp function? I mean the structure or shape. Is it an N-dimentional tensor? If so, how is it given as an input to tf.random_categorical? If not, and its just has the shape [hidden_layer2, output], then what happened to the other layers? As per their website description about random_categorical it only takes a 2-D input. The complete code of openAI's VPG algorithm can be found here. The mlp is implemented here. I would be highly grateful if someone would just tell me what this mlp_categorical_policy() is doing?
Note: The hidden size is [64, 64], the action dimension is 3
Thanks and cheers
Note that this is a discrete action space - there are action_space.n different possible actions at every step, and the agent chooses one.
To do this the MLP is returning the logits (which are a function of the probabilities) of the different actions. This is specified in the code by + [act_dim] which is appending count of the action_space as the final MLP layer. Note that the last layer of an MLP is the output layer. The input layer is not specified in tensorflow, it is inferred from the inputs.
tf.random.categorical takes the logits and samples a policy action pi from them, which is returned as a number.
mlp_categorical_policy also returns logp, the log probability of the action a (used to assign credit), and logp_pi, the log probability of the policy action pi.
It seems your question is more about the return from the mlp.
The mlp creates a series of fully connected layers in a loop. In each iteration of the loop, the mlp is creating a new layer using the previous layer x as an input and assigning it's output to overwrite x, with this line x = tf.layers.dense(inputs=x, units=h, activation=activation).
So the output is not the same as the input, on each iteration x is overwritten with the value of the new layer. This is the same kind of coding trick as x = x + 1, which increments x by 1. This effectively chains the layers together.
The output of tf.layers.dense is a tensor of size [:,h] where : is the batch dimension (and can usually be ignored). The creation of the last layer happens outisde the loop, it can be seen that the number of nodes in this layer is act_dim (so shape is [:,3]). You can check the shape by doing this:
import tensorflow.compat.v1 as tf
import numpy as np
def mlp(x, hidden_sizes=(32,), activation=tf.tanh, output_activation=None):
for h in hidden_sizes[:-1]:
x = tf.layers.dense(x, units=h, activation=activation)
return tf.layers.dense(x, units=hidden_sizes[-1], activation=output_activation)
obs = np.array([[1.0,2.0]])
logits = mlp(obs, [64, 64, 3], tf.nn.relu, None)
print(logits.shape)
result: TensorShape([1, 3])
Note that the observation in this case is [1.,2.], it is nested inside a batch of size 1.

Getting keras LSTM layer to accept two inputs?

I'm working with padded sequences of maximum length 50. I have two types of sequence data:
1) A sequence, seq1, of integers (1-100) that correspond to event types (e.g. [3,6,3,1,45,45....3]
2) A sequence, seq2, of integers representing time, in minutes, from the last event in seq1. So the last element is zero, by definition. So for example [100, 96, 96, 45, 44, 12,... 0]. seq1 and seq2 are the same length, 50.
I'm trying to run the LSTM primarily on the event/seq1 data, but have the time/seq2 strongly influence the forget gate within the LSTM. The reason for this is I want the LSTM to tend to really penalize older events and be more likely to forget them. I was thinking about multiplying the forget weight by the inverse of the current value of the time/seq2 sequence. Or maybe (1/seq2_element + 1), to handle cases where it's zero minutes.
I see in the keras code (LSTMCell class) where the change would have to be:
f = self.recurrent_activation(x_f + K.dot(h_tm1_f,self.recurrent_kernel_f))
So I need to modify keras' LSTM code to accept multiple inputs. As an initial test, within the LSTMCell class, I changed the call function to look like this:
def call(self, inputs, states, training=None):
time_input = inputs[1]
inputs = inputs[0]
So that it can handle two inputs given as a list.
When I try running the model with the Functional API:
# Input 1: event type sequences
# Take the event integer sequences, run them through an embedding layer to get float vectors, then run through LSTM
main_input = Input(shape =(max_seq_length,), dtype = 'int32', name = 'main_input')
x = Embedding(output_dim = embedding_length, input_dim = num_unique_event_symbols, input_length = max_seq_length, mask_zero=True)(main_input)
## Input 2: time vectors
auxiliary_input = Input(shape=(max_seq_length,1), dtype='float32', name='aux_input')
m = Masking(mask_value = 99999999.0)(auxiliary_input)
lstm_out = LSTM(32)(x, time_vector = m)
# Auxiliary loss here from first input
auxiliary_output = Dense(1, activation='sigmoid', name='aux_output')(lstm_out)
# An abitrary number of dense, hidden layers here
x = Dense(64, activation='relu')(lstm_out)
# The main output node
main_output = Dense(1, activation='sigmoid', name='main_output')(x)
## Compile and fit the model
model = Model(inputs=[main_input, auxiliary_input], outputs=[main_output, auxiliary_output])
model.compile(optimizer='adam', loss='binary_crossentropy', metrics=['accuracy'], loss_weights=[1., 0.2])
print(model.summary())
np.random.seed(21)
model.fit([train_X1, train_X2], [train_Y, train_Y], epochs=1, batch_size=200)
However, I get the following error:
An `initial_state` was passed that is not compatible with `cell.state_size`. Received `state_spec`=[InputSpec(shape=(None, 50, 1), ndim=3)]; however `cell.state_size` is (32, 32)
Any advice?
You can't pass a list of inputs to default recurrent layers in Keras. The input_spec is fixed and the recurrent code is implemented based on single tensor input also pointed out in the documentation, ie it doesn't magically iterate over 2 inputs of same timesteps and pass that to the cell. This is partly because of how the iterations are optimised and assumptions made if the network is unrolled etc.
If you like 2 inputs, you can pass constants (doc) to the cell which will pass the tensor as is. This is mainly to implement attention models in the future. So 1 input will iterate over timesteps while the other will not. If you really like 2 inputs to be iterated like a zip() in python, you will have to implement a custom layer.
I would like to throw in a different ideas here. They don't require you to modify the Keras code.
After the embedding layer of the event types, stack the embeddings with the elapsed time. The Keras function is keras.layers.Concatenate(axis=-1). Imagine this, a single even type is mapped to a n dimensional vector by the embedding layer. You just add the elapsed time as one more dimension after the embedding so that it becomes a n+1 vector.
Another idea, sort of related to your problem/question and may help here, is 1D convolution. The convolution can happen right after the concatenated embeddings. The intuition for applying convolution to event types and elapsed time is actually 1x1 convolution. In such a way that you linearly combine the two together and the parameters are trained. Note in terms of convolution, the dimensions of the vectors are called channels. Of course, you can also convolve more than 1 event at a step. Just try it. It may or may not help.

Tensorflow weighted vs sigmoid cross-entropy loss

I am trying to implement multi-label classification using TensorFlow (i.e., each output pattern can have many active units). The problem has imbalanced classes (i.e., much more zeros than ones in the labels distribution, which makes label patterns very sparse).
The best way to tackle the problem should be to use the tf.nn.weighted_cross_entropy_with_logits function. However, I get this runtime error:
ValueError: Tensor conversion requested dtype uint8 for Tensor with dtype float32
I can't understand what is wrong here. As input to the loss function, I pass the labels tensor, the logits tensor, and the positive class weight, which is a constant:
positive_class_weight = 10
loss = tf.nn.weighted_cross_entropy_with_logits(targets=labels, logits=logits, pos_weight=positive_class_weight)
Any hints about how to solve this? If I just pass the same labels and logits tensors to the tf.losses.sigmoid_cross_entropy loss function, everything works well (in the sense that Tensorflow runs properly, but of course following training predictions are always zero).
See related problem here.
The error is likely to be thrown after the loss function, because the only significant difference between tf.losses.sigmoid_cross_entropy and tf.nn.weighted_cross_entropy_with_logits is the shape of the returned tensor.
Take a look at this example:
logits = tf.linspace(-3., 5., 10)
labels = tf.fill([10,], 1.)
positive_class_weight = 10
weighted_loss = tf.nn.weighted_cross_entropy_with_logits(targets=labels, logits=logits, pos_weight=positive_class_weight)
print(weighted_loss.shape)
sigmoid_loss = tf.losses.sigmoid_cross_entropy(multi_class_labels=labels, logits=logits)
print(sigmoid_loss.shape)
Tensors logits and labels are kind of artificial and both have shape (10,). But it's important that weighted_loss and sigmoid_loss are different. Here's the output:
(10,)
()
This is because tf.losses.sigmoid_cross_entropy performs reduction (the sum by default). So in order to replicate it, you have to wrap the weighted loss with tf.reduce_sum(...).
If this doesn't help, make sure that labels tensor has type float32. This bug is very easy to make, e.g., the following declaration won't work:
labels = tf.fill([10,], 1) # the type is not float!
You might be also interested to read this question.

How do I get the gradient of the loss at a TensorFlow variable?

The feature I'm after is to be able to tell what the gradient of a given variable is with respect to my error function given some data.
One way to do this would be to see how much the variable has changed after a call to train, but obviously that can vary massively based on the learning algorithm (for example it would be almost impossible to tell with something like RProp) and just isn't very clean.
Thanks in advance.
The tf.gradients() function allows you to compute the symbolic gradient of one tensor with respect to one or more other tensors—including variables. Consider the following simple example:
data = tf.placeholder(tf.float32)
var = tf.Variable(...) # Must be a tf.float32 or tf.float64 variable.
loss = some_function_of(var, data) # some_function_of() returns a `Tensor`.
var_grad = tf.gradients(loss, [var])[0]
You can then use this symbolic gradient to evaluate the gradient in some specific point (data):
sess = tf.Session()
var_grad_val = sess.run(var_grad, feed_dict={data: ...})
In TensorFlow 2.0 you can use GradientTape to achieve this. GradientTape records the gradients of any computation that happens in the context of that. Below is an example of how you might do that.
import tensorflow as tf
# Here goes the neural network weights as tf.Variable
x = tf.Variable(3.0)
# TensorFlow operations executed within the context of
# a GradientTape are recorded for differentiation
with tf.GradientTape() as tape:
# Doing the computation in the context of the gradient tape
# For example computing loss
y = x ** 2
# Getting the gradient of network weights w.r.t. loss
dy_dx = tape.gradient(y, x)
print(dy_dx) # Returns 6