Numba-accelerated implementations of scipy probability distributions and others used in particle physics
Project description
numba-stats
We provide numba
-accelerated implementations of common probability distributions.
- Uniform
- (Truncated) Normal
- Log-normal
- Poisson
- Binomial
- (Truncated) Exponential
- Student's t
- Voigtian
- Crystal Ball
- Generalised double-sided Crystal Ball
- Tsallis-Hagedorn, a model for the minimum bias pT distribution
- Q-Gaussian
- Bernstein density (not normalized to unity, use this in extended likelihood fits)
- Cruijff density (not normalized to unity, use this in extended likelihood fits)
- CMS-Shape
The speed gains are huge, up to a factor of 100 compared to scipy
. Benchmarks are included in the repository and are run by pytest
.
The distributions are optimized for the use in maximum-likelihood fits, where you query a distribution at many points with a single set of parameters.
Usage
Each distribution is implemented in a submodule. Import the submodule that you need and call the functions in the module.
from numba_stats import norm
import numpy as np
x = np.linspace(-10, 10)
mu = 2.0
sigma = 3.0
p = norm.pdf(x, mu, sigma)
c = norm.cdf(x, mu, sigma)
The functions are vectorized on the variate x
, but not on the shape parameters of the distribution. Ideally, the following functions are implemented for each distribution:
pdf
: probability density functionlogpdf
: the logarithm of the probability density function (can be computed more efficiently and accurately for some distributions)cdf
: integral of the probability density functionppf
:inverse of the cdfrvs
: to generate random variates
cdf
and ppf
are missing for some distributions (e.g. voigt
), if there is currently no fast implementation available. logpdf
is only implemented if it is more efficient and accurate compared to computing log(dist.pdf(...))
. rvs
is only implemented for distributions that have ppf
, which is used to generate the random variates. The implementations of rvs
are currently not optimized for highest performance, but turn out to be useful in practice nevertheless.
The distributions in numba_stats
can be used in other numba
-JIT'ed functions. The functions in numba_stats
use a single thread, but the implementations were written so that they profit from auto-parallelization. To enable this, call them from a JIT'ed function with the argument parallel=True,fastmath=True
. You should always combine parallel=True
with fastmath=True
, since the latter enhances the gain from auto-parallelization.
from numba_stats import norm
import numba as nb
import numpy as np
@nb.njit(parallel=True, fastmath=True)
def norm_pdf(x, mu, sigma):
return norm.pdf(x, mu, sigma)
# this must be an array of float
x = np.linspace(-10, 10)
# these must be floats
mu = 2.0
sigma = 3.0
# uses all your CPU cores
p = norm_pdf(x, mu, sigma)
Note that this is only faster if x
has sufficient length (about 1000 elements or more). Otherwise, the parallelization overhead will make the call slower, see benchmarks below.
Troubleshooting
When you use the numba-stats distributions in a compiled function, you need to pass the expected data types. The first argument must be numpy array of floats (32 or 64 bit). The following parameters must be floats. If you pass the wrong arguments, you will get numba errors similar to this one (where parameters were passed as integer instead of float):
numba.core.errors.TypingError: Failed in nopython mode pipeline (step: nopython frontend)
No implementation of function Function(<function pdf at 0x7ff7186b7be0>) found for signature:
>>> pdf(array(float64, 1d, C), int64, int64)
You won't get these errors when you call the numba-stats PDFs outside of a compiled function, because I added some wrappers which automatically convert the data types for convenience. This is why you can call norm.pdf(1, 2, 3)
but
norm_pdf(1, 2, 3)
(as implemented above) will fail.
Documentation
To get documentation, please use help()
in the Python interpreter.
Functions with equivalents in scipy.stats
follow the scipy
calling conventions exactly, except for distributions starting with trunc...
, which follow a different convention, since the scipy
behavior is very impractical. Even so, note that the scipy
conventions are sometimes a bit unusual, particular in case of the exponential, the log-normal, and the uniform distribution. See the scipy
docs for details.
Citation
If you use this package in a scientific work, please cite us. You can generate citations in your preferred format on the Zenodo website.
Benchmarks
The following benchmarks were produced on an Intel(R) Core(TM) i7-8569U CPU @ 2.80GHz against SciPy-1.10.1. The dotted line on the right-hand figure shows the expected speedup (4x) from parallelization on a CPU with four physical cores.
We see large speed-ups with respect to scipy
for almost all distributions. Also calls with short arrays profit from numba_stats
, due to the reduced call-overhead. The functions voigt.pdf
and t.ppf
do not run faster than the scipy
versions, because we call the respective scipy
implementation written in FORTRAN. The advantage provided by numba_stats
here is that you can call these functions from other numba
-JIT'ed functions, which is not possible with the scipy
implementations, and voigt.pdf
still profits from auto-parallelization.
The bernstein.density
does not profit from auto-parallelization, on the contrary it becomes much slower, so this should be avoided. This is a known issue, the internal implementation cannot be easily auto-parallelized.
Contributions
You can help with adding more distributions, patches are welcome. Implementing a probability distribution is easy. You need to write it in simple Python that numba
can understand. Special functions from scipy.special
can be used after some wrapping, see submodule numba_stats._special.py
how it is done.
numba-stats and numba-scipy
numba-scipy is the official package and repository for fast numba-accelerated scipy functions, are we reinventing the wheel?
Ideally, the functionality in this package should be in numba-scipy
and we hope that eventually this will be case. In this package, we don't offer overloads for scipy functions and classes like numba-scipy
does. This simplifies the implementation dramatically. numba-stats
is intended as a temporary solution until fast statistical functions are included in numba-scipy
. numba-stats
currently does not depend on numba-scipy
, only on numba
and scipy
.
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