kernex

Stencil computations in JAX.

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Project description

Differentiable Stencil computations in JAX

Tests pyver codestyle

🛠️ Installation

pip install kernex

📖 Description

Kernex extends jax.vmap and jax.lax.scan with kmap and kscan for general stencil computations.

⏩ Quick Example

kmap

kscan

import kernex as kex 
import jax.numpy as jnp 

@kex.kmap(kernel_size=(3,))
def sum_all(x):
    return jnp.sum(x)

>>> x = jnp.array([1,2,3,4,5])
>>> print(sum_all(x))
[ 6  9 12]

import kernex as kex 
import jax.numpy as jnp 

@kex.kscan(kernel_size=(3,))
def sum_all(x):
    return jnp.sum(x)

>>> x = jnp.array([1,2,3,4,5])
>>> print(sum_all(x))
[ 6 13 22]

`jax.vmap` is used to sum each window content.

`lax.scan` is used to update the array and the window sum is calculated sequentially. the first three rows represents the three sequential steps used to get the solution in the last row.

🕸️ Function mesh concept

The objective is to apply f(x) = x^2 at index=0 and f(x) = x^3 at index=(1,10)

To achieve the following operation with jax.lax.switch , we need a list of 10 functions correspoing to each cell of the example array. For this reason , kernex adopts a modified version of jax.lax.switch to reduce the number of branches required.

# function applies x^2 at boundaries, and applies x^3 to to the interior

        ┌─────┬─────┬─────┬─────┬─────┬─────┬─────┬─────┬─────┬─────┐
  f =   │ x^2 │ x^3 │ x^3 │ x^3 │ x^3 │ x^3 │ x^3 │ x^3 │ x^3 │ x^3 │
        └─────┴─────┴─────┴─────┴─────┴─────┴─────┴─────┴─────┴─────┘

        ┌─────┬─────┬─────┬─────┬─────┬─────┬─────┬─────┬─────┬─────┐
 f(     │  1  │  2  │  3  │  4  │  5  │  6  │  7  │  8  │  9  │ 10  │ ) =
        └─────┴─────┴─────┴─────┴─────┴─────┴─────┴─────┴─────┴─────┘
        ┌─────┬─────┬─────┬─────┬─────┬─────┬─────┬─────┬─────┬─────┐
        │  1  │  8  │  27 │  64 │ 125 │ 216 │ 343 │ 512 │ 729 │1000 │
        └─────┴─────┴─────┴─────┴─────┴─────┴─────┴─────┴─────┴─────┘

# Gradient of this function
        ┌─────┬─────┬─────┬─────┬─────┬─────┬─────┬─────┬─────┬─────┐
df/dx = │ 2x  │3x^2 │3x^2 │3x^2 │3x^2 │3x^2 │3x^2 │3x^2 │3x^2 │3x^2 │
        └─────┴─────┴─────┴─────┴─────┴─────┴─────┴─────┴─────┴─────┘


        ┌─────┬─────┬─────┬─────┬─────┬─────┬─────┬─────┬─────┬─────┐
 df/dx( │  1  │  2  │  3  │  4  │  5  │  6  │  7  │  8  │  9  │ 10  │ ) =
        └─────┴─────┴─────┴─────┴─────┴─────┴─────┴─────┴─────┴─────┘
        ┌─────┬─────┬─────┬─────┬─────┬─────┬─────┬─────┬─────┬─────┐
        │  2  │  12 │ 27  │  48 │ 75  │ 108 │ 147 │ 192 │ 243 │ 300 │
        └─────┴─────┴─────┴─────┴─────┴─────┴─────┴─────┴─────┴─────┘

Function mesh

Array equivalent

F = kex.kmap(kernel_size=(1,))
F[0] = lambda x:x[0]**2
F[1:] = lambda x:x[0]**3





array = jnp.arange(1,11).astype('float32')
print(F(array))
>>> [1., 8., 27., 64., 125.,
... 216., 343., 512., 729., 1000.]

print(jax.grad(lambda x:jnp.sum(F(x)))(array))
>>> [2.,12.,27.,48.,75.,
... 108.,147.,192.,243.,300.]

def F(x):
    f1 = lambda x:x**2
    f2 = lambda x:x**3
    x = x.at[0].set(f1(x[0]))
    x = x.at[1:].set(f2(x[1:]))
    return x

array = jnp.arange(1,11).astype('float32')
print(F(array))
>>> [1., 8., 27., 64., 125.,
... 216., 343., 512., 729., 1000.]

print(jax.grad(lambda x: jnp.sum(F(x)))(array))
>>> [2.,12.,27.,48.,75.,
... 108.,147.,192.,243.,300.]

Additionally , we can combine the function mesh concept with stencil computation for scientific computing. See Linear convection in More examples section

🔢 More examples

1️⃣ Convolution operation

import jax
import jax.numpy as jnp
import kernex as kex

@jax.jit
@kex.kmap(
    kernel_size= (3,3,3),
    padding = ('valid','same','same'))
def kernex_conv2d(x,w):
    # JAX channel first conv2d with 3x3x3 kernel_size 
    return jnp.sum(x*w)

2️⃣ Laplacian operation

# see also
# https://numba.pydata.org/numba-doc/latest/user/stencil.html#basic-usage
import jax
import jax.numpy as jnp
import kernex as kex

@kex.kmap(
    kernel_size=(3,3),
    padding= 'valid',
    relative=True) # `relative`= True enables relative indexing
def laplacian(x):
    return ( 0*x[1,-1]  + 1*x[1,0]   + 0*x[1,1] +
             1*x[0,-1]  +-4*x[0,0]   + 1*x[0,1] +
             0*x[-1,-1] + 1*x[-1,0]  + 0*x[-1,1] )

# apply laplacian
>>> print(laplacian(jnp.ones([10,10])))
DeviceArray(
    [[0., 0., 0., 0., 0., 0., 0., 0.],
    [0., 0., 0., 0., 0., 0., 0., 0.],
    [0., 0., 0., 0., 0., 0., 0., 0.],
    [0., 0., 0., 0., 0., 0., 0., 0.],
    [0., 0., 0., 0., 0., 0., 0., 0.],
    [0., 0., 0., 0., 0., 0., 0., 0.],
    [0., 0., 0., 0., 0., 0., 0., 0.],
    [0., 0., 0., 0., 0., 0., 0., 0.]], dtype=float32)

3️⃣ Get Patches of an array

import jax
import jax.numpy as jnp
import kernex as kex

@kex.kmap(kernel_size=(3,3),relative=True)
def identity(x):
    # similar to numba.stencil
    # this function returns the top left cell in the padded/unpadded kernel view
    # or center cell if `relative`=True
    return x[0,0]

# unlike numba.stencil , vector output is allowed in kernex
# this function is similar to
# `jax.lax.conv_general_dilated_patches(x,(3,),(1,),padding='same')`
@jax.jit
@kex.kmap(kernel_size=(3,3),padding='same')
def get_3x3_patches(x):
    # returns 5x5x3x3 array
    return x

mat = jnp.arange(1,26).reshape(5,5)
>>> print(mat)
[[ 1  2  3  4  5]
 [ 6  7  8  9 10]
 [11 12 13 14 15]
 [16 17 18 19 20]
 [21 22 23 24 25]]


# get the view at array index = (0,0)
>>> print(get_3x3_patches(mat)[0,0])
[[0 0 0]
 [0 1 2]
 [0 6 7]]

4️⃣ Linear convection

$\Large {\partial u \over \partial t} + c {\partial u \over \partial x} = 0$

$\Large u_i^{n} = u_i^{n-1} - c \frac{\Delta t}{\Delta x}(u_i^{n-1}-u_{i-1}^{n-1})$

Problem setup	Stencil view

import jax
import jax.numpy as jnp
import kernex as kex
import matplotlib.pyplot as plt

# see https://nbviewer.org/github/barbagroup/CFDPython/blob/master/lessons/01_Step_1.ipynb

tmax,xmax = 0.5,2.0
nt,nx = 151,51
dt,dx = tmax/(nt-1) , xmax/(nx-1)
u = jnp.ones([nt,nx])
c = 0.5

# kscan moves sequentially in row-major order and updates in-place using lax.scan.

F = kernex.kscan(
        kernel_size = (3,3),
        padding = ((1,1),(1,1)),
        named_axis={0:'n',1:'i'},  # n for time axis , i for spatial axis (optional naming)
        relative=True
        )


# boundary condtion as a function
def bc(u):
    return 1

# initial condtion as a function
def ic1(u):
    return 1

def ic2(u):
    return 2

def linear_convection(u):
    return ( u['i','n-1'] - (c*dt/dx) * (u['i','n-1'] - u['i-1','n-1']) )


F[:,0]  = F[:,-1] = bc # assign 1 for left and right boundary for all t

# square wave initial condition
F[:,:int((nx-1)/4)+1] = F[:,int((nx-1)/2):] = ic1
F[0:1, int((nx-1)/4)+1 : int((nx-1)/2)] = ic2

# assign linear convection function for
# interior spatial location [1:-1]
# and start from t>0  [1:]
F[1:,1:-1] = linear_convection

kx_solution = F(jnp.array(u))

plt.figure(figsize=(20,7))
for line in kx_solution[::20]:
    plt.plot(jnp.linspace(0,xmax,nx),line)

5️⃣ MaxPool2D layer

# pip install pytreeclass
import jax
import jax.numpy as jnp 
import kernex as kex
import pytreeclass as pytc  # dataclass-like decorator for JAX

@pytc.treeclass
class MaxPool2D:

    kernel_size: tuple[int, ...] | int = pytc.static_field() # Exclude from JAX computations
    strides: tuple[int, ...] | int = pytc.static_field()
    padding: tuple[int, ...] | int | str = pytc.static_field()

    def __init__(self, *, kernel_size=(2, 2), strides=2, padding="valid"):

        self.kernel_size = kernel_size
        self.strides = strides
        self.padding = padding

    def __call__(self, x):

        @jax.vmap # apply on batch dimension
        @jax.vmap # apply on channels dimension
        @kex.kmap(
            kernel_size=self.kernel_size,
            strides=self.strides,
            padding=self.padding)
        def _maxpool2d(x):
            return jnp.max(x)

        return _maxpool2d(x)


layer = MaxPool2D(kernel_size=(2,2),strides=(2,2),padding='same')
array = jnp.arange(1,26).reshape(1,1,5,5) # batch,channel,row,col

>>> print(array)
[[[[ 1  2  3  4  5]
   [ 6  7  8  9 10]
   [11 12 13 14 15]
   [16 17 18 19 20]
   [21 22 23 24 25]]]]

>>> print(layer(array))
[[[[ 7  9 10]
   [17 19 20]
   [22 24 25]]]]

6️⃣ AverageBlur2D layer

import os
from PIL import Image
import matplotlib.pyplot as plt

import jax
import jax.numpy as jnp 
import kernex as kex
import pytreeclass as pytc  # dataclass-like decorator for JAX

@pytc.treeclass
class AverageBlurLayer:
  '''channels first'''

  in_channels  : int
  kernel_size : tuple[int]

  def __init__(self,in_channels,kernel_size):

    self.in_channels = in_channels
    self.kernel_size = kernel_size


  def __call__(self,x):

    @jax.vmap # vectorize on batch dim
    @jax.vmap # vectorize on channels
    @kex.kmap(kernel_size=(*self.kernel_size,),padding='same')
    def average_blur(x):
      kernel = jnp.ones([*self.kernel_size])/jnp.array(self.kernel_size).prod()
      return jnp.sum(x*(kernel),dtype=jnp.float32)

    return average_blur(x).astype(jnp.uint8)

img = Image.open(os.path.join('assets','puppy.png'))
>>> img

batch_img = jnp.einsum('HWC->CHW' ,jnp.array(img))[None] # make it channel first and add batch dim

layer = jax.jit(AverageBlurLayer(in_channels=4,kernel_size=(25,25)))
blurred_image = layer(batch_img)
blurred_image = jnp.einsum('CHW->HWC' ,blurred_image[0])
plt.figure(figsize=(20,20))
plt.imshow(blurred_image)

7️⃣ Conv2D layer

import jax
import jax.numpy as jnp 
import kernex as kex
import pytreeclass as pytc  # dataclass-like decorator for JAX

@pytc.treeclass
class Conv2D:

    weight: jnp.ndarray
    bias: jnp.ndarray

    in_channels: int = pytc.static_field()
    out_channels: int = pytc.static_field()
    kernel_size: tuple[int, ...] | int = pytc.static_field()
    strides: tuple[int, ...] | int = pytc.static_field()
    padding: tuple[int, ...] | int | str = pytc.static_field()

    def __init__(self,
        *,
        in_channels,
        out_channels,
        kernel_size,
        strides=1,
        padding=("same", "same"),
        key=jax.random.PRNGKey(0),
        use_bias=True,
        kernel_initializer=jax.nn.initializers.kaiming_uniform()):

        self.weight = kernel_initializer(
            key, (out_channels, in_channels, *kernel_size))
        self.bias = (jnp.zeros(
            (out_channels, *((1, ) * len(kernel_size)))) if use_bias else None)

        self.in_channels = in_channels
        self.out_channels = out_channels
        self.kernel_size = kernel_size
        self.strides = strides
        self.padding = ("valid", ) + padding

    def __call__(self, x):

        @kex.kmap(
            kernel_size=(self.in_channels, *self.kernel_size),
            strides=self.strides,
            padding=self.padding)
        def _conv2d(x, w):
            return jnp.sum(x * w)

        @jax.vmap # vectorize on batch dimension
        def fwd_image(image):
            # filters shape is OIHW
            # vectorize on filters output dimension
            return vmap(lambda w: _conv2d(image, w))(self.weight)[:, 0] + (
                self.bias if self.bias is not None else 0)

        return fwd_image(x)

⌛ Benchmarking

Conv2D

# testing and benchmarking convolution
# for complete benchmarking check /tests_and_benchmark

# 3x1024x1024 Input
C,H = 3,1024

@jax.jit
def jax_conv2d(x,w):
    return jax.lax.conv_general_dilated(
        lhs = x,
        rhs = w,
        window_strides = (1,1),
        padding = 'SAME',
        dimension_numbers = ('NCHW', 'OIHW', 'NCHW'),)[0]


x = jax.random.normal(jax.random.PRNGKey(0),(C,H,H))
xx = x[None]
w = jax.random.normal(jax.random.PRNGKey(0),(C,3,3))
ww = w[None]

# assert equal
np.testing.assert_allclose(kernex_conv2d(x,w),jax_conv2d(xx,ww),atol=1e-3)

# Mac M1 CPU
# check tests_and_benchmark folder for more.

%timeit kernex_conv2d(x,w).block_until_ready()
# 3.96 ms ± 272 µs per loop (mean ± std. dev. of 7 runs, 100 loops each)

%timeit jax_conv2d(xx,ww).block_until_ready()
# 27.5 ms ± 993 µs per loop (mean ± std. dev. of 7 runs, 10 loops each)

get_patches

# benchmarking `get_patches` with `jax.lax.conv_general_dilated_patches`
# On Mac M1 CPU

@jax.jit
@kex.kmap(kernel_size=(3,),padding='same')
def get_patches(x):
    return x

@jax.jit
def jax_get_patches(x):
    return jax.lax.conv_general_dilated_patches(x,(3,),(1,),padding='same')

x = jnp.ones([1_000_000])
xx = jnp.ones([1,1,1_000_000])

np.testing.assert_allclose(
    get_patches(x),
    jax_get_patches(xx).reshape(-1,1_000_000).T)

>> %timeit get_patches(x).block_until_ready()
>> %timeit jax_get_patches(xx).block_until_ready()

1.73 ms ± 92.7 µs per loop (mean ± std. dev. of 7 runs, 1,000 loops each)
10.6 ms ± 337 µs per loop (mean ± std. dev. of 7 runs, 100 loops each)

Project details

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0.2.0

Jun 9, 2023

0.1.3

Mar 2, 2023

This version

0.1.2

Sep 24, 2022

0.1.0

Sep 11, 2022

0.0.8

Sep 8, 2022

0.0.7

Sep 4, 2022

0.0.6

Aug 23, 2022

0.0.5

Jul 31, 2022

0.0.4.post0

Jul 29, 2022

0.0.4

Jul 11, 2022

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