What is the output of pytorch RNN? - pytorch

I have a simple rnn code below.
rnn = nn.RNN(1, 1, 1, bias = False, batch_first = True)
t = torch.ones(size = (1, 2, 1))
output, hidden = rnn(t)
print(rnn.weight_ih_l0)
print(rnn.weight_hh_l0)
print(output)
print(hidden)
# Outputs
Parameter containing:
tensor([[0.7199]], requires_grad=True)
Parameter containing:
tensor([[0.4698]], requires_grad=True)
tensor([[[0.6168],
[0.7656]]], grad_fn=<TransposeBackward1>)
tensor([[[0.7656]]], grad_fn=<StackBackward>)
tensor([[[0.7656]]], grad_fn=<StackBackward>)
My understanding from the PyTorch documentation is that the output from above is the hidden state.
So, I tried to manually calculate the output using the below
hidden_state1 = torch.tanh(t[0][0] * rnn.weight_ih_l0)
print(hidden_state1)
hidden_state2 = torch.tanh(t[0][1] * rnn.weight_ih_l0 + hidden_state1 * rnn.weight_hh_l0)
print(hidden_state2)
tensor([[0.6168]], grad_fn=<TanhBackward>)
tensor([[0.7656]], grad_fn=<TanhBackward>)
The result was correct. hidden_state1 and hidden_state2 match the output.
Shouldn’t the hidden_states get multiplied with output weights to get the output?
I checked for weights connecting from hidden state to output. But there are no weights at all.
If the objective of rnn is to calculate only hidden states, Could anyone tell me how to get the output?

Shouldn’t the hidden_states get multiplied with output weights to get
the output
Yes and No. It depends on your problem formulation. Suppose you are dealing with a case where output from last timestep only matters. In that case it really doesn't make sense to multiply hidden state to output weight in each unit.
That's why pytorch only gives you hidden output as an abstract value, after that you can really go wild and do whatever you want with hidden states according to your problem.
In your particular case suppose you want to apply another linear layer to the output at each timestep. You can do so simply by defining a linear layer and propagating the output of hidden unit.
#Linear Layer
##hidden_feature_size = 1 in your case
lin_layer = nn.Linear(hidden_feature_size, output_feature_size)
#output from first timestep
linear_layer(output[0])
#output from second timestep
linear_layer(output[1])

Related

Retrieve only the last hidden state from lstm layer in pytorch sequential

I have a pytorch model:
model = torch.nn.Sequential(
torch.nn.LSTM(40, 256, 3, batch_first=True),
torch.nn.Linear(256, 256),
torch.nn.ReLU()
)
And for the LSTM layer, I want to retrieve only the last hidden state from the batch to pass through the rest of the layers. Ex:
_, (hidden, _) = lstm(data)
hidden = hidden[-1]
Though, that example only works for a subclassed model. I need to somehow do this on a nn.Sequential() model that way when I save it, it can properly be converted to a tensorflow.js model. The reason I can't make and train this model in tensorflow.js is because I'm trying to implement this repo: Resemblyzer in tensorflow.js while still using the same weights as the pretrained Resemblyzer model which was made in pytorch as a subclassed model. I thought of using the torchvisions.transformations.Lambda() transformation but I would assume that would make it incompatible with tensorflow.js. Is there any way to make this possible while still allowing the model to convert properly?
You could split up your sequential but only doing so in the forward definition of your model on inference. Once defined:
model = nn.Sequential(nn.LSTM(40, 256, 3, batch_first=True),
nn.Linear(256, 256),
nn.ReLU())
You can split it:
>>> lstm, fc = model[0], model[1:]
Then infer in two steps:
>>> out, (hidden, _) = lstm(data)
>>> hidden = hidden[-1]
>>> out = fc(out) # <- or fc(out[-1]) depending on what you want
Though the answer is provided above, I thought of elaborating on the same as PyTorch LSTM documentation is confusing.
In TF, we directly get the last_state as the output. No further action needed.
Let us check the Torch output of LSTM:
There are 2 outputs - a sequence and a tuple. We are interested in the last state so we can ignore the sequence and focus on the tuple. The tuple consists of 2 values - the first is the hidden state of the last cell (of all layers in the LSTM) and the second is the cell state of the last cell (again of all layers in the LSTM). We are interested in the hidden state. So
_, tup = self.bilstm(inp)
We are interested in tup[0]. Let us dig further into this.
The shape of tup[0] is somewhat odd with batch size at the centre. On the left of the batch size is the number of layers in the LSTM (multiply 2 if is biLSTM). On the right is the dimension you have provided while defining the LSTM. You could take the output from the last layer by simply doing a tup[0][-1] which is the answer provided above.
Alternatively if you want to make use of hidden states across layers, you may try something like:
out = tup[0].swapaxes(0,1)
out = out.reshape(*out.shape[:-2], -1)
The first line produces shape of batch_size, num_layers, hidden_size_specified. The second line produces shape of batch_size, num_layers x hidden_size_specified
(For e.g., Let us say, yours is a biLSTM and you have 3 layers and your hiddensize is 100, you could choose to concatenate the output such that you get one vector of 2 x 3 x 100 = 600 dimensions and then run a simple linear layer on top of this to get the output you want.)
There is another way to get the output of the LSTM. We discussed that the first output of an LSTM is a sequence:
sequence, tup = self.bilstm(inp)
This sequence is the output of the LAST hidden layer of the LSTM. It is a sequence because it contains hidden states of EVERY cell in this layer. So its length will be the input sequence length that you have provided. We could choose to take the hidden state of the last element in the sequence by doing a:
#shape of sequence is: batch_size, seq_size, dim
sequence = sequence.swapaxes(0,1)
#shape of sequence is: seq_size, batch_size, dim
sequence = sequence[-1]
#shape of sequence is: batch_size, dim (ie last seq is taken)
Needless to say this will be the same value we got by taking the last layer from tup[0]. Well, not quite! If the LSTM is a biLSTM, then using the sequence approach returns is 2 x hidden_size dim output (which is correct) wheras using the tup[0][-1] approach will give us only hidden_size dim even for a biLSTM. OP's LSTM is a non-biLSTM so both answers hold true.

pytorch: How to use the output of the GRU model?

The GRU model in pytorch outputs two objects: the output features as well as the hidden states. I understand that for classification one uses the output features, but I'm not entirely sure which of them. Specifically, in a typical decoder-encoder architecture that uses a GRU in the decoder part, one would typically only pass the last (time-wise, i.e., t = N, where N is the length of the input sequence) output to the encoder. Which part of the output tensor refers to this time-wise last output?
The GRU is created like so (note that it is bidirectional):
self.gru = nn.GRU(
700,
700,
bidirectional=True,
batch_first=True,
)
Given some embedding vector representing a piece of text of size 150x700, I use the GRU like so (150 is the sequence length, 700 the embedding dimension):
gru_out, gru_hidden = self.gru(embedding)
gru_out will be of shape 150x1400, where 150 is again the sequence length and 1400 is double the embedding dimension, which is because of the GRU being a bidirectional one (in terms of pytorch's documentation, hidden_size*num_directions).
If I only want to access the time-wise last output, do I need to access it like so?
tmp = gru_out.view(150, 2, 700)
last_out_first_direction = tmp[149, 0, :]
last_out_second_direction = tmp[149, 1, :]
While this technically seems right and is similar to the answer posted here, it would also require that the actual input sequence is always of length 150, whereas typically you have also shorter actual input sequences that are simply padded to be of length 150. However, in GRU one is typically interested in the last actual input token, which can thus also be at a position <150. What is a common way to access the actual last token or time-step (<=150) instead of only the technically last step (always =150)?
Side question: Is the output of the second direction reversed (since the direction in which information is passed through the GRU is also reversed compared to the first direction) so I should actually access last_out_second_direction = tmp[0, 1, :] instead of tmp[149, 1, :]?

How do I build a probability matrix output layer in Keras

Suppose I need to build a network that takes two inputs:
A patient's information, represented as an array of features
Selected treatment, represented as one-hot encoded array
Now how do I build a network that outputs a 2D probability matrix A where A[i,j] represents the probability the patient will end up at state j under treatment i. Let's say there are n possible states, and under any treatment, the total probability of all n states sums up to 1.
I wanted to do this because I was motivated by a similar network, where the inputs are the same as above, but the output is a 1d array representing the expected lifetime after treatment i is delivered. And such network is built as follows:
def default_dense(feature_shape, n_treatment):
feature_input = keras.layers.Input(feature_shape)
treatment_input = keras.layers.Input((n_treatments,))
hidden_1 = keras.layers.Dense(16, activation = 'relu')(feature_input)
hidden_2 = keras.layers.Dense(16, activation = 'relu')(hidden_1)
output = keras.layers.Dense(n_treatments)(hidden_2)
output_on_action = keras.layers.multiply([output, treatment_input])
model = keras.models.Model([feature_input, treatment_input], output_on_action)
model.compile(optimizer=tf.optimizers.Adam(0.001),loss='mse')
return model
And the training is simply
model.fit(x = [features, encoded_treatments], y = encoded_treatments * lifetime[:, np.newaxis], verbose = 0)
This is super handy because when predicting, I can use np.ones() as the encoded_treatments, and the network gives expected lifetimes under all treatments, thus choosing the best one is one-step. Certainly I can create multiple networks, each for a treatment, but it would be much less efficient.
Now the questions is, can I do the same to probability output?
I have figured it out myself. The trick is to use RepeatVector() and Permute() layers to generate a matrix mask for treatments.
The output is an element-wise Multiply() of the mask and a Softmax() of same size.

Get Keras LSTM output inside Tensorflow code

I'm working with time-variant graph embedding, where at each time step, the adjacency matrix of the graph changes. The main idea is to perform the node embedding of each timestep of the graph by looking to a set of node features and the adjacency matrix. The node embedding step is long and complicated, and is not part of the core of the problem, so I will skip this part. Suffice it to say that I use Graph Convolutional Network to embed the nodes.
Consider that I have a stack of B adjacency matrices A with sizes NxN, where B = batch size and N = number of nodes in the graph. Also, the matrices are stacked according to a time series, where matrix in index i comes before matrix in index i+1. I have already embedded the nodes of the graph, which results in a matrix of dimensions B x N x E, where E = size of the embedding (parameter). Note that the model has to deal with any graph, therefore, N is not a parameter. Another important comment is that each batch contains adjacency matrices from the same graph, and therefore all matrices of a batch have the same number of node, but the matrices of other batches may have different number of nodes.
I now need to pass these embedding through an LSTM cell. I never used Keras before, so I'm having a hard time making the Keras LSTM blend in my Tensorflow code. What I want to do is: pass each node embedding through an LSTM such that the number of timesteps = B and the LSTM batch size = N, that is, the input to my LSTM has the shape [N, B, E], where N and B are only known through execution time. I want the output of my LSTM to have the shape of [B, E*E]. The embedding matrix is called here self.embed_mat. Here is my code:
def _LSTM_layer(self):
with tf.variable_scope(self.scope, reuse=tf.AUTO_REUSE), tf.device(self.device):
in_shape = tf.shape(self.embed_mat)
lstm_input = tf.reshape(self.embed_mat, [in_shape[1], in_shape[0], EMBED_SIZE]) #lstm = [N, B, E]
input_plh = K.placeholder(name="lstm_input", shape=(None, None, EMBED_SIZE))
lstm = LSTM(EMBED_SIZE*EMBED_SIZE, input_shape=(None, None, EMBED_SIZE))
get_output = K.function(inputs=[input_plh], outputs=[lstm(input_plh)])
h = get_output([lstm_input])
I am a bit lost with the K.function part. All I want is the output tensor of the LSTM cell. I've seen that in order to get that with Keras, we need to use K.function, but I don't quite get it what it does. When I call get_output([lstm_input]), I get the following error:
tensorflow.python.framework.errors_impl.InvalidArgumentError: You must feed a value for placeholder tensor 'worker_global/A/shape' with dtype int64 and shape [?]
Here, A is the stacked adjacency matrices with dimension BxNxN. What is going on here? Does the value of N needs to be known during graph building step? I think I made some dumb mistake with the LSTM cell, but I can't get what it is.
Thanks in advance!
If you want to get the output of your LSTM layer "out" given input of "inp" in a keras Sequential() model called "model," where "inp" is your first / input layer and "out" is an LSTM layer that happens to be, for the sake of this example, in the 4th position in your sequential model, you would obtain the output of that LSTM layer from the data you call "lstm_input" above with the following code:
inp = model.layers[0].input
out = model.layers[3].output
inp_to_out = K.function([inp], [out])
output = inp_to_out([lstm_input])

How to correctly implement a batch-input LSTM network in PyTorch?

This release of PyTorch seems provide the PackedSequence for variable lengths of input for recurrent neural network. However, I found it's a bit hard to use it correctly.
Using pad_packed_sequence to recover an output of a RNN layer which were fed by pack_padded_sequence, we got a T x B x N tensor outputs where T is the max time steps, B is the batch size and N is the hidden size. I found that for short sequences in the batch, the subsequent output will be all zeros.
Here are my questions.
For a single output task where the one would need the last output of all the sequences, simple outputs[-1] will give a wrong result since this tensor contains lots of zeros for short sequences. One will need to construct indices by sequence lengths to fetch the individual last output for all the sequences. Is there more simple way to do that?
For a multiple output task (e.g. seq2seq), usually one will add a linear layer N x O and reshape the batch outputs T x B x O into TB x O and compute the cross entropy loss with the true targets TB (usually integers in language model). In this situation, do these zeros in batch output matters?
Question 1 - Last Timestep
This is the code that i use to get the output of the last timestep. I don't know if there is a simpler solution. If it is, i'd like to know it. I followed this discussion and grabbed the relative code snippet for my last_timestep method. This is my forward.
class BaselineRNN(nn.Module):
def __init__(self, **kwargs):
...
def last_timestep(self, unpacked, lengths):
# Index of the last output for each sequence.
idx = (lengths - 1).view(-1, 1).expand(unpacked.size(0),
unpacked.size(2)).unsqueeze(1)
return unpacked.gather(1, idx).squeeze()
def forward(self, x, lengths):
embs = self.embedding(x)
# pack the batch
packed = pack_padded_sequence(embs, list(lengths.data),
batch_first=True)
out_packed, (h, c) = self.rnn(packed)
out_unpacked, _ = pad_packed_sequence(out_packed, batch_first=True)
# get the outputs from the last *non-masked* timestep for each sentence
last_outputs = self.last_timestep(out_unpacked, lengths)
# project to the classes using a linear layer
logits = self.linear(last_outputs)
return logits
Question 2 - Masked Cross Entropy Loss
Yes, by default the zero padded timesteps (targets) matter. However, it is very easy to mask them. You have two options, depending on the version of PyTorch that you use.
PyTorch 0.2.0: Now pytorch supports masking directly in the CrossEntropyLoss, with the ignore_index argument. For example, in language modeling or seq2seq, where i add zero padding, i mask the zero padded words (target) simply like this:
loss_function = nn.CrossEntropyLoss(ignore_index=0)
PyTorch 0.1.12 and older: In the older versions of PyTorch, masking was not supported, so you had to implement your own workaround. I solution that i used, was masked_cross_entropy.py, by jihunchoi. You may be also interested in this discussion.
A few days ago, I found this method which uses indexing to accomplish the same task with a one-liner.
I have my dataset batch first ([batch size, sequence length, features]), so for me:
unpacked_out = unpacked_out[np.arange(unpacked_out.shape[0]), lengths - 1, :]
where unpacked_out is the output of torch.nn.utils.rnn.pad_packed_sequence.
I have compared it with the method described here, which looks similar to the last_timestep() method Christos Baziotis is using above (also recommended here), and the results are the same in my case.

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