Note

Click here to download the full example code

# Block-sparse reductions¶

This script showcases the use of the optional **ranges** argument
to compute block-sparse reductions with **sub-quadratic time complexity**.

## Setup¶

Standard imports:

```
import time
import numpy as np
from matplotlib import pyplot as plt
from pykeops.numpy import LazyTensor
from pykeops.numpy.utils import IsGpuAvailable
use_cuda = IsGpuAvailable()
dtype = "float32"
```

Define our dataset: two point clouds on the unit square.

```
M, N = (5000, 5000) if use_cuda else (2000, 2000)
t = np.linspace(0, 2 * np.pi, M + 1)[:-1]
x = np.stack((.4 + .4 * (t / 7) * np.cos(t), .5 + .3 * np.sin(t)), 1)
x = x + .01 * np.random.randn(*x.shape)
x = x.astype(dtype)
y = np.random.randn(N, 2).astype(dtype)
y = y / 10 + np.array([.6,.6]).astype(dtype)
```

## Computing a block-sparse reduction¶

On the GPU, **contiguous memory accesses** are key to high performances.
To enable the implementation of algorithms with **sub-quadratic time complexity**
under this constraint, KeOps provides access to
**block-sparse reduction routines** through the optional
**ranges** argument, which is supported by `numpy.Genred`

and all its children.

### Pre-processing¶

To leverage this feature through the `pykeops.torch`

API,
the first step is to **clusterize your data**
into groups which should neither be too **small** (performances on clusters
with less than ~200 points each are suboptimal)
nor too **many** (the `from_matrix()`

pre-processor can become a bottleneck when working with >2,000 clusters
per point cloud).

In this tutorial, we use the `grid_cluster()`

routine which simply groups points into **cubic bins** of arbitrary size:

```
from pykeops.numpy.cluster import grid_cluster
eps = .05 # Size of our square bins
Start = time.time()
start = time.time()
x_labels = grid_cluster(x, eps) # class labels
y_labels = grid_cluster(y, eps) # class labels
end = time.time()
print("Perform clustering : {:.4f}s".format(end-start))
```

Out:

```
Perform clustering : 0.0018s
```

Once (integer) cluster labels have been computed,
we can compute the **centroids** and **memory footprint** of each class:

```
from pykeops.numpy.cluster import cluster_ranges_centroids
# Compute one range and centroid per class:
start = time.time()
x_ranges, x_centroids, _ = cluster_ranges_centroids(x, x_labels)
y_ranges, y_centroids, _ = cluster_ranges_centroids(y, y_labels)
end = time.time()
print("Compute ranges+centroids : {:.4f}s".format(end-start))
```

Out:

```
Compute ranges+centroids : 0.0005s
```

Finally, we can **sort** our points according to their
labels, making sure that **all clusters are stored contiguously in memory**:

```
from pykeops.numpy.cluster import sort_clusters
start = time.time()
x, x_labels = sort_clusters(x, x_labels)
y, y_labels = sort_clusters(y, y_labels)
end = time.time()
print("Sort the points : {:.4f}s".format(end-start))
```

Out:

```
Sort the points : 0.0013s
```

### Cluster-Cluster binary mask¶

The key idea behind KeOps’s block-sparsity mode
is that as soon as data points are sorted,
**we can manage the reduction scheme through a small, coarse boolean mask**
whose values encode whether or not we should perform computations
at a finer scale.

In this example, we compute a simple Gaussian
convolution of radius \(\sigma\)
and decide to **skip** points-to-points **interactions** between
blocks whose **centroids are further apart** than \(4\sigma\),
as \(\exp(- (4\sigma)^2 / 2\sigma^2 ) = e^{-8} \ll 1\),
with 99% of the mass of a Gaussian kernel located in the \(3\sigma\) range.

```
sigma = .05 # Characteristic length of interaction
start = time.time()
# Compute a coarse Boolean mask:
D = np.sum((x_centroids[:,None,:] - y_centroids[None,:,:])**2, 2)
keep = D < (4 * sigma)**2
```

To turn this mask into a set of integer Tensors which
is more palatable to KeOps’s low-level CUDA API,
we then use the `from_matrix`

routine…

```
from pykeops.numpy.cluster import from_matrix
ranges_ij = from_matrix(x_ranges, y_ranges, keep)
end = time.time()
print("Process the ranges : {:.4f}s".format(end-start))
End = time.time()
t_cluster = End-Start
print("Total time (synchronized): {:.4f}s".format(End-Start))
print("")
```

Out:

```
Process the ranges : 0.0025s
Total time (synchronized): 0.0094s
```

And we’re done: here is the **ranges** argument that can
be fed to the KeOps reduction routines!
For large point clouds, we can expect a speed-up that is directly
proportional to the ratio of mass between our **fine binary mask**
(encoded in **ranges_ij**) and the full, N-by-M kernel matrix:

```
areas = (x_ranges[:,1]-x_ranges[:,0])[:,None] \
* (y_ranges[:,1]-y_ranges[:,0])[None,:]
total_area = np.sum(areas) # should be equal to N*M
sparse_area = np.sum(areas[keep])
print("We keep {:.2e}/{:.2e} = {:2d}% of the original kernel matrix.".format(
sparse_area, total_area, int(100 * sparse_area / total_area) ))
print("")
```

Out:

```
We keep 3.41e+06/2.50e+07 = 13% of the original kernel matrix.
```

## Benchmark a block-sparse Gaussian convolution¶

Define a Gaussian kernel matrix from 2d point clouds:

```
x_, y_ = x / sigma, y / sigma
x_i, y_j = LazyTensor(x_[:, None, :]), LazyTensor(y_[None, :, :])
D_ij = ((x_i - y_j) ** 2).sum(dim=2) # Symbolic (M,N,1) matrix of squared distances
K = (- D_ij / 2).exp() # Symbolic (M,N,1) Gaussian kernel matrix
```

And create a random signal supported by the points \(y_j\):

```
b = np.random.randn(N, 1).astype(dtype)
```

Compare the performances of our **block-sparse** code
with those of a **dense** implementation, on both CPU and GPU backends:

Note

The standard KeOps routine are already *very* efficient:
on the GPU, speed-ups with multiscale, block-sparse schemes only start to
kick on around the “20,000 points” mark as the skipped computations
make up for the clustering and branching overheads.

```
backends = (["CPU", "GPU"] if M*N < 4e8 else ["GPU"]) if use_cuda else ["CPU"]
for backend in backends :
K.backend = backend # Switch to CPU or GPU mode
# GPU warm-up:
a = K @ b
start = time.time()
K.ranges = None # default
a_full = K @ b
end = time.time()
t_full = end-start
print(" Full convolution, {} backend: {:2.4f}s".format(backend, end-start))
start = time.time()
K.ranges = ranges_ij # block-sparsity pattern
a_sparse = K @ b
end = time.time()
t_sparse = end-start
print("Sparse convolution, {} backend: {:2.4f}s".format(backend, end-start) )
print("Relative time : {:3d}% ({:3d}% including clustering), ".format(
int(100*t_sparse/t_full),
int(100*(t_sparse+t_cluster)/t_full)))
print("Relative error: {:3.4f}%".format( 100* np.sum(np.abs(a_sparse-a_full)) / np.sum(np.abs(a_full)) ))
print("")
```

Out:

```
Full convolution, CPU backend: 0.1521s
Sparse convolution, CPU backend: 0.0198s
Relative time : 13% ( 19% including clustering),
Relative error: 0.1847%
Full convolution, GPU backend: 0.0007s
Sparse convolution, GPU backend: 0.0010s
Relative time : 134% (1435% including clustering),
Relative error: 0.1847%
```

Fancy visualization: we display our coarse binary mask
and highlight one of its lines, that corresponds to the **cyan** cluster
and its **magenta** neighbors:

```
# Find the cluster centroid which is closest to the (.43,.6) point:
dist_target = np.sum(((x_centroids - np.array([.43,.6]).astype(dtype))**2), axis=1)
clust_i = np.argmin(dist_target)
if M + N <= 500000 :
ranges_i, slices_j, redranges_j = ranges_ij[0:3]
start_i, end_i = ranges_i[clust_i] # Indices of the points that make up our cluster
start, end = slices_j[clust_i-1], slices_j[clust_i] # Ranges of the cluster's neighbors
keep = keep.astype(float)
keep[clust_i] += 2
plt.ion()
plt.matshow(keep)
plt.figure(figsize=(10,10))
plt.scatter(x[:,0], x[:,1], c=x_labels, cmap=plt.cm.Wistia,
s= 25*500 / len(x), label="Target points")
plt.scatter(y[:,0], y[:,1], c=y_labels, cmap=plt.cm.winter,
s= 25*500 / len(y), label="Source points")
# Target clusters:
for start_j,end_j in redranges_j[start:end] :
plt.scatter(y[start_j:end_j, 0], y[start_j:end_j, 1],
c="magenta", s= 50*500 / len(y))
# Source cluster:
plt.scatter(x[start_i:end_i,0], x[start_i:end_i,1],
c="cyan", s=10, label="Cluster {}".format(clust_i))
plt.scatter(x_centroids[:,0], x_centroids[:,1],
c="black", s=10, alpha=.5, label="Cluster centroids")
plt.legend(loc='lower right')
# sphinx_gallery_thumbnail_number = 2
plt.axis("equal") ; plt.axis([0,1,0,1])
plt.tight_layout() ; plt.show(block=True)
```

Out:

```
/home/bcharlier/keops/pykeops/examples/numpy/plot_grid_cluster_numpy.py:256: UserWarning: Matplotlib is currently using agg, which is a non-GUI backend, so cannot show the figure.
plt.tight_layout() ; plt.show(block=True)
```

**Total running time of the script:** ( 0 minutes 44.046 seconds)