Numpy to PyTorch

Shagun Sodhani

@shagunsodhani

 

2018

Agenda

  • Introduction to Numpy and PyTorch
     
  • Why use PyTorch
     
  • Pitfalls
     
  • What is missing in PyTorch
     
  • What is coming up in PyTorch

Numpy

  • ndarray - n-dimensional array of homogenous data
     
  • Fast routines for ndarray
    eg linear algebra, statistical operations, Fourier transforms etc
     
  • Tools for integrating C/C++ and Fortran code
     
  • Many benefits over inbuilt Python sequences
import numpy as np

given_list = [24, 12, 57]
new_array = np.array(given_list)

print(type(new_array))

# <class 'numpy.ndarray'>
import numpy as np

given_list = [24, 12, 57]
new_array = np.array(given_list)

print(type(new_array))

# <class 'numpy.ndarray'>
given_list = [24, 12, 57]
new_array = np.array(given_list)

print([x+3 for x in given_list])

# [27, 15, 60]

print(new_array+3)

# [27 15 60]

first_array = np.random.rand(128, 5)

second_array = np.random.rand(5, 128)

print(np.matmul(first_array, second_array))

'''
[[1.15351208 1.95227908 1.96715651 ... 1.98488703 1.2217091  2.22688756]
 [1.29874346 1.74803279 1.89340905 ... 2.07696858 1.9904079  2.20042014]
 ...
 [0.82158841 1.07577147 1.75924153 ... 1.68843334 1.36875145 1.2564471 ]
 [1.42693331 2.52156631 2.39800496 ... 2.47794813 2.10389287 2.72979265]]
'''
def square_python(num=100000):
    squares = []
    for i in range(1, num):
        squares.append(i ** 2)

def square_numpy(num=100000):
    squares = np.arange(1, num) ** 2
%%timeit
square_python()
# 10 loops, best of 3: 38.6 ms per loop

%%timeit
square_numpy()
# 1000 loops, best of 3: 314 µs per loop

PyTorch

  • Open-sourced Machine Learning framework
     
  • Development initiated at Facebook AI Research

    •  

PyTorch

  • Tensor computation (like NumPy)
    with strong GPU acceleration
     
  • Deep neural networks
    built on top of reverse mode
    automatic differentiation

PyTorch

  • Python-First
     
  • Hybrid Front-End
     
  • Distributed Training
     
  • Ecosystem of solutions

PyTorch

  • Tensor computation (like NumPy)
    with strong GPU acceleration
     
  • torch.Tensor is the counterpart to np.ndarray
     
  • Much of the talk would focus on how to
    augment Numpy with Pytorch (and vice-versa)

Creation Operations

  • Creation ops api calls are very similar
shape = (2, 3)
print(np.ones(shape))
# [[1. 1. 1.]
# [1. 1. 1.]]

Creation Operations

  • Creation ops api calls are very similar
shape = (2, 3)
print(np.ones(shape))
# [[1. 1. 1.]
# [1. 1. 1.]]

Creation Operations

  • Creation ops api calls are very similar
shape = (2, 3)

#print(np.ones(shape))

print(torch.ones(shape))
# tensor([[1., 1., 1.],
#        [1., 1., 1.]])

Creation Operations

  • Creation ops api calls are very similar
shape = (2, 3)

#print(np.ones(shape))

print(torch.ones(shape))
# tensor([[1., 1., 1.],
#        [1., 1., 1.]])

Creation Operations

shape = (3, 3)
x = 2 * np.ones(shape)
y = np.eye(shape[0])
print(x+y)

Creation Operations

shape = (3, 3)
x = 2 * np.ones(shape)
y = np.eye(shape[0])
print(x+y)

x = 2 * torch.ones(shape)
y = torch.eye(shape[0])
print(x+y)

Creation Operations

shape = (3, 3)
x = 2 * np.ones(shape)
y = np.eye(shape[0])
print(x+y)

x = 2 * torch.ones(shape)
y = torch.eye(shape[0])
print(x+y)

Creation Operations

np.array([[1, 2], [3, 4]])

Creation Operations

np.array([[1, 2], [3, 4]])	

torch.tensor([[1, 2], [3, 4]])

PyTorch vs Numpy

Numpy supports two styles for variable assignment:

  • Compute the value and assign to a variable using the `assignment` operator.
     
  • Compute and assign the value to a variable using a function call.
     

Torch supports both as well

Numpy

shape = (3, 3)
x = 2 * np.ones(shape)
y = np.eye(shape[0])

y = np.add(x, y)
np.add(x, y, out=y)

Numpy

shape = (3, 3)
x = 2 * np.ones(shape)
y = np.eye(shape[0])

y = np.add(x, y)
np.add(x, y, out=y)

Numpy

shape = (3, 3)
x = 2 * np.ones(shape)
y = np.eye(shape[0])

y = np.add(x, y)
np.add(x, y, out=y)

PyTorch

shape = (3, 3)
x = 2 * torch.ones(shape)
y = torch.eye(shape[0])

y = torch.add(x, y)
torch.add(x, y, out=y)

PyTorch

shape = (3, 3)
x = 2 * torch.ones(shape)
y = torch.eye(shape[0])

y = torch.add(x, y)
torch.add(x, y, out=y)

PyTorch vs Numpy

  • Much of the `Tensor` operations in Torch have an API similar to their Numpy counterparts.
     
  • Support for advanced indexing (along the lines of Numpy)

Advanced Indexing: Numpy

x = np.arange(10)
print(x[1:7:2])
# [1 3 5]

y = np.arange(35).reshape(5,7)
print(y[1:5:2,::3])
# [[ 7 10 13]
# [21 24 27]]

Advanced Indexing: Torch

x = torch.arange(10)
print(x[1:7:2])
# tensor([1, 3, 5])

y = torch.arange(35).reshape(5,7)
print(y[1:5:2,::3])
# tensor([[ 7, 10, 13],
#        [21, 24, 27]])

Advanced Indexing: Numpy

x = np.arange(10,1,-1)
indexing_array = np.array([3,3,-3,8])
print(x[indexing_array])
# [7 7 4 2]


indexing_array = np.array([[1,1],[2,3]])
print(x[indexing_array])
# [[9 9]
# [8 7]]

Advanced Indexing: Torch

x = torch.arange(10,1,-1)
indexing_array = torch.tensor([3,3,-3,8])
print(x[indexing_array])
# tensor([7, 7, 4, 2])


indexing_array = torch.tensor([[1,1],[2,3]])
print(x[indexing_array])
# tensor([[9, 9],
#        [8, 7]])

PyTorch vs Numpy

Some Differences

Numpy Torch
axis dim
copy clone
np.expand_dims(x, 1) x.unsqueeze(1)
tile repeat

PyTorch vs Numpy

np.sum(np_array, axis=1)

torch.sum(torch_array, dim=1)

PyTorch vs Numpy

Some Differences
 

A more complete comparison is available at
https://github.com/shagunsodhani/pytorch-for-numpy-users

 

PyTorch vs Numpy

x = np.linspace(start=10.0, stop=20, num=5)
print(x)

# [10.  12.5 15.  17.5 20. ]

PyTorch vs Numpy

x = np.linspace(start=10.0, stop=20, num=5)
print(x)

# [10.  12.5 15.  17.5 20. ]

x = torch.linspace(start=10, end=20, steps=5)
print(x)

# tensor([10.0000, 12.5000, 15.0000, 17.5000, 20.0000])

PyTorch vs Numpy

x = np.linspace(start=10.0, stop=20, num=5)
print(x)

# [10.  12.5 15.  17.5 20. ]

x = torch.linspace(start=10, end=20, steps=5)
print(x)

# tensor([10.0000, 12.5000, 15.0000, 17.5000, 20.0000])

PyTorch vs Numpy

x = np.linspace(start=10.0, stop=20, num=5)
print(x)

# [10.  12.5 15.  17.5 20. ]

x = torch.linspace(start=10, end=20, steps=5)
print(x)

# tensor([10.0000, 12.5000, 15.0000, 17.5000, 20.0000])

Though the APIs are similar, PyTorch is NOT a drop-in replacement for Numpy.

We will later see that this is
not as bad as it sounds.

Why should I use PyTorch

GPU Acceleration

%%timeit
np.random.seed(1)
n = 10000
x = np.array(np.random.randn(n,n), 
             dtype = np.float32)
y = np.matmul(x, x)

# 1 loop, best of 3: 36.6 s per loop
%%timeit
torch.manual_seed(1)
n = 10000
device = torch.device('cuda:0')
x = torch.rand(n, n, 
               dtype=torch.float32, 
               device=device)
y = torch.matmul(x, x)

# 10 loops, best of 3: 797 ms per loop

This is all good. But I dont want to rewrite my Numpy code into Torch code

Good News! You do not have to.

Numpy to PyTorch

  • Numpy arrays can be EASILY converted into
    Torch tensors
     
  • Torch tensors can be EASILY converted into
    Numpy arrays
     

 

Numpy to PyTorch

torch_array = torch.from_numpy(numpy_array)

PyTorch to Numpy

numpy_array = torch_array.numpy()

PyTorch to Numpy

shape = (5, 3)
numpy_array = np.array(shape)
# Make a Numpy array

PyTorch to Numpy

shape = (5, 3)
numpy_array = np.array(shape)
# Make a Numpy array

torch_array = torch.from_numpy(numpy_array)
# Convert it into a Torch tensor

PyTorch to Numpy

shape = (5, 3)
numpy_array = np.array(shape)
# Make a Numpy array

torch_array = torch.from_numpy(numpy_array)
# Convert it into a Torch tensor

recreated_numpy_array = torch_array.numpy()
# Convert the Torch tensor into Numpy array

PyTorch to Numpy

shape = (5, 3)
numpy_array = np.array(shape)
# Make a Numpy array

torch_array = torch.from_numpy(numpy_array)
# Convert it into a Torch tensor

recreated_numpy_array = torch_array.numpy()
# Convert the Torch tensor into Numpy array

if (recreated_numpy_array == numpy_array).all():
  print("Numpy -> Torch -> Numpy")

Numpy + PyTorch

# Existing Numpy logic
#

# Move data to GPU
# Use GPUs for costly operations

# Move data back to Numpy
# Existing Numpy logic

PyTorch on GPUs

  • By default, tensors are created (and live) on cpu
     
  • They can be easily moved to a gpu
     
  • Infact they can be easily moved between gpus.

Tensors on GPUs

gpu_device = torch.device('cuda:0')
cpu_device = torch.device('cpu')
tensor_on_gpu = tensor.to(gpu_device)
tensor_on_cpu = tensor.to(cpu_device)

PyTorch + Numpy

Some Pitfalls to look out for

Pitfall 1

numpy_array = np.array([1, 2, 3])
torch_array = torch.from_numpy(numpy_array)
torch_array[0] = -100
print(numpy_array[0])

# -100

Pitfall 1

  • When using from_numpy() the data is shared between Torch and Numpy.
     
  • If you want to make a new copy, use Tensor()
     

Pitfall 1

numpy_array = np.array([1, 2, 3])
torch_array = torch.Tensor(numpy_array)
torch_array[0] = -100
print(numpy_array[0])

# 1

Pitfall 2

  • Whenever you move data to GPU, a new copy is created.
     
  • Recommended: Move data to gpu once,
    do all the computations
    bring the data back to cpu

Pitfall 2

numpy_array = np.array([1, 2, 3])
torch_array = torch.from_numpy(numpy_array).to(gpu_device)
torch_array[0] = -100
print(numpy_array[0])

# 1

Pitfall 3

torch_array = torch.tensor([1, 2, 3], 
            device = gpu_device)
numpy_array = torch_array.numpy()

# TypeError: can't convert CUDA tensor to 
# numpy. Use Tensor.cpu() to copy the 
# tensor to host memory first.

Pitfall 3

torch_array = torch.tensor([1, 2, 3], 
                device = gpu_device)

numpy_array = torch_array
            .to(cpu_device)
            .numpy()

Pitfall 3

  • Can not directly convert a gpu tensor to Numpy array.
     
  • Recommended: Move the tensor to cpu
    If it is already on cpu, to(cpu_device) is a no-op
     

I dont have fancy GPUs, would PyTorch be too slow for me?

  • While I do not have any exhaustive benchmarks, I have not observed much difference between the performance of Numpy and PyTorch (on CPU).
     
  • If you find a usecase which is much slower, you should file an issue. The core team is very responsive to these issue.

What about CuPy

  • Drop-in replacement for Numpy (on GPUs)
     
  • Very useful when you want "just" Numpy capabilities on a GPU
     
  • Think of Numpy to CuPy as transition to a better hardware.
     
  • PyTorch is a better choice when you want to have more powerful primitives (for machine learning) and the ability to access more powerful hardware.

 

Why should I use PyTorch

Other benefits of PyTorch

  • Recall that PyTorch is more than a tensor manipulation library.
     
  • It is a deep learning platform built around Numpy-like tensor abstraction.
     
  • If you use NumPy, then you know how to use PyTorch
     
  • Along with tensors-on-gpu, PyTorch supports a whole suite of deep-learning tools with an extremely easy-to-use interface.

 

Other benefits of PyTorch

def gradient(w, x, y):
    """Compute gradient for Linear Regression"""
    y_estimate = x.dot(w).squeeze()
    error = (y.squeeze() - y_estimate)
    gradient = -(1.0/len(x)) * error.dot(x)
    return gradient

## Credits: https://www.cs.toronto.edu/~frossard/post/linear_regression/

Other benefits of PyTorch

torch.nn.Linear(input_size, 1)

Other benefits of PyTorch

Flexibility + low level control

PyTorch Ecosystem

AllenNLP

ELF

Fast.Ai

Glow

GPyTorch

Horovod

Pyro

TensorLy

Translate

What about other Deep Learning Frameworks

Other benefits of PyTorch

  • Tensor can be easily converted into Nump array (and vice-versa)
     
  • Hence it plays well with other libraries like scikit-learn, scipy etc.
     
  • In some cases, wrappers exist
    • skorch: ScikitLearn + PyTorch
       
  • The cool part is, we can use Scipy, Numpy etc for defining extensions in PyTorch
     

What is missing in PyTorch

  • Note that there is no feature parity between PyTorch and Numpy
     
  • Apis could differ in some cases (eg `axis` vs `dim`)
     
  • Support for Sparse Tensors is limited for now

Where do I go from here

https://pytorch.org/get-started/locally/

Where do I go from here

https://pytorch.org/get-started/cloud-partners/

What is coming up

  • First major release in December 2018: production ready PyTorch
     
  • Close to Numpy: "expect to get closer and closer to NumPy’s API where appropriate"
     
  • Distributed PyTorch: Already support a distributed package for  TCP, MPI, Gloo and NCCL2

Community

https://github.com/pytorch/pytorch

Community

https://discuss.pytorch.org/

Acknowledgements

  • Adam Paszke (University of Warsaw)
 

References

  • https://www.numpy.org
     
  • https://pytorch.org
     
 

@shagunsodhani

@shagunsodhani

 

Thank You

 

Shagun Sodhani

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