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Statistics: Kernel Density Estimation: Refactoring to simpler static design

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Christoph Ruegg 9 years ago
parent
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9f3ebf6f57
  1. 133
      src/Numerics/Statistics/KernelDensity.cs
  2. 204
      src/Numerics/Statistics/KernelDensityEstimator.cs
  3. 87
      src/UnitTests/StatisticsTests/KernelDensityTests.cs

133
src/Numerics/Statistics/KernelDensity.cs

@ -0,0 +1,133 @@
// <copyright file="KernelDensityEstimator.cs" company="Math.NET">
// Math.NET Numerics, part of the Math.NET Project
// http://numerics.mathdotnet.com
// http://github.com/mathnet/mathnet-numerics
//
// Copyright (c) 2009-2018 Math.NET
//
// Permission is hereby granted, free of charge, to any person
// obtaining a copy of this software and associated documentation
// files (the "Software"), to deal in the Software without
// restriction, including without limitation the rights to use,
// copy, modify, merge, publish, distribute, sublicense, and/or sell
// copies of the Software, and to permit persons to whom the
// Software is furnished to do so, subject to the following
// conditions:
//
// The above copyright notice and this permission notice shall be
// included in all copies or substantial portions of the Software.
//
// THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND,
// EXPRESS OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES
// OF MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND
// NONINFRINGEMENT. IN NO EVENT SHALL THE AUTHORS OR COPYRIGHT
// HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY,
// WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING
// FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR
// OTHER DEALINGS IN THE SOFTWARE.
// </copyright>
using System;
using System.Collections.Generic;
using MathNet.Numerics.Distributions;
using MathNet.Numerics.Threading;
namespace MathNet.Numerics.Statistics
{
/// <summary>
/// Kernel density estimation (KDE).
/// </summary>
public static class KernelDensity
{
/// <summary>
/// Estimate the probability density function of a random variable.
/// </summary>
/// <remarks>
/// The routine assumes that the provided kernel is well defined, i.e. a real non-negative function that integrates to 1.
/// </remarks>
public static double Estimate(double x, double bandwidth, IList<double> samples, Func<double, double> kernel)
{
if (bandwidth <= 0)
{
throw new ArgumentException("The bandwidth must be a positive number!");
}
var n = samples.Count;
var estimate = CommonParallel.Aggregate(0, n,
i => kernel((x - samples[i]) / bandwidth),
(a, b) => a + b,
0d) / (n * bandwidth);
return estimate;
}
/// <summary>
/// Estimate the probability density function of a random variable with a Gaussian kernel.
/// </summary>
public static double EstimateGaussian(double x, double bandwidth, IList<double> samples)
{
return Estimate(x, bandwidth, samples, GaussianKernel);
}
/// <summary>
/// Estimate the probability density function of a random variable with an Epanechnikov kernel.
/// The Epanechnikov kernel is optimal in a mean square error sense.
/// </summary>
public static double EstimateEpanechnikov(double x, double bandwidth, IList<double> samples)
{
return Estimate(x, bandwidth, samples, EpanechnikovKernel);
}
/// <summary>
/// Estimate the probability density function of a random variable with a uniform kernel.
/// </summary>
public static double EstimateUniform(double x, double bandwidth, IList<double> samples)
{
return Estimate(x, bandwidth, samples, UniformKernel);
}
/// <summary>
/// Estimate the probability density function of a random variable with a triangular kernel.
/// </summary>
public static double EstimateTriangular(double x, double bandwidth, IList<double> samples)
{
return Estimate(x, bandwidth, samples, TriangularKernel);
}
/// <summary>
/// A Gaussian kernel (PDF of Normal distribution with mean 0 and variance 1).
/// This kernel is the default.
/// </summary>
public static double GaussianKernel(double x)
{
return Normal.PDF(0.0, 1.0, x);
}
/// <summary>
/// Epanechnikov Kernel:
/// x =&gt; Math.Abs(x) &lt;= 1.0 ? 3.0/4.0(1.0-x^2) : 0.0
/// </summary>
public static double EpanechnikovKernel(double x)
{
return Math.Abs(x) <= 1.0 ? 0.75 * (1 - x * x) : 0.0;
}
/// <summary>
/// Uniform Kernel:
/// x =&gt; Math.Abs(x) &lt;= 1.0 ? 1.0/2.0 : 0.0
/// </summary>
public static double UniformKernel(double x)
{
return ContinuousUniform.PDF(-1.0, 1.0, x);
}
/// <summary>
/// Triangular Kernel:
/// x =&gt; Math.Abs(x) &lt;= 1.0 ? (1.0-Math.Abs(x)) : 0.0
/// </summary>
public static double TriangularKernel(double x)
{
return Triangular.PDF(-1.0, 1.0, 0.0, x);
}
}
}

204
src/Numerics/Statistics/KernelDensityEstimator.cs

@ -1,204 +0,0 @@
// <copyright file="KernelDensityEstimator.cs" company="Math.NET">
// Math.NET Numerics, part of the Math.NET Project
// http://numerics.mathdotnet.com
// http://github.com/mathnet/mathnet-numerics
//
// Copyright (c) 2009-2018 Math.NET
//
// Permission is hereby granted, free of charge, to any person
// obtaining a copy of this software and associated documentation
// files (the "Software"), to deal in the Software without
// restriction, including without limitation the rights to use,
// copy, modify, merge, publish, distribute, sublicense, and/or sell
// copies of the Software, and to permit persons to whom the
// Software is furnished to do so, subject to the following
// conditions:
//
// The above copyright notice and this permission notice shall be
// included in all copies or substantial portions of the Software.
//
// THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND,
// EXPRESS OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES
// OF MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND
// NONINFRINGEMENT. IN NO EVENT SHALL THE AUTHORS OR COPYRIGHT
// HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY,
// WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING
// FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR
// OTHER DEALINGS IN THE SOFTWARE.
// </copyright>
using System;
using System.Collections.Generic;
using MathNet.Numerics.Distributions;
using MathNet.Numerics.Threading;
namespace MathNet.Numerics.Statistics
{
/// <summary>
/// An enum of the methods the <see cref="KernelDensityEstimator"/> supports
/// for automatic bandwidth selection.
/// </summary>
public enum KDEBandwidthSelectionMethod
{
/// <summary>
/// TBD
/// </summary>
SilvermansRuleOfThumb,
/// <summary>
/// TBD
/// </summary>
SolveTheEquation
}
/// <summary>
/// The <see cref="KernelDensityEstimator"/> supports several predefined Kernels.
/// Note that you can set your own custom kernel by setting <see cref="KernelDensityEstimator.Kernel"/>
/// </summary>
public enum KDEKernelType
{
/// <summary>
/// A Gaussian kernel (PDF of Normal distribution with mean 0 and variance 1).
/// This kernel is the default.
/// </summary>
Gaussian,
/// <summary>
/// Epanechnikov Kernel
/// x => Math.Abs(x) <= 1.0 ? 3.0/4.0(1.0-x^2) : 0.0
/// </summary>
Epanechnikov,
/// <summary>
/// Uniform Kernel
/// x => Math.Abs(x) <= 1.0 ? 1.0/2.0 : 0.0
/// </summary>
Uniform,
/// <summary>
/// Triangular Kernel
/// x => Math.Abs(x) <= 1.0 ? (1.0-Math.Abs(x)) : 0.0
/// </summary>
Triangular,
/// <summary>
/// A custom kernel can be set by property <see cref="KernelDensityEstimator.Kernel"/>
/// </summary>
Custom
}
/// <summary>
/// Kernel density estimation
/// </summary>
public class KernelDensityEstimator
{
public KernelDensityEstimator(IList<double> samples)
{
_samples = samples;
KernelType = KDEKernelType.Gaussian;
}
public double EstimateDensity(double x)
{
var n = Samples.Count;
var estimate = CommonParallel.Aggregate(0, n,
i =>
{
var s = Samples[i];
return Kernel((x - s) / Bandwidth);
},
(a, b) => a + b,
0d) / (n * Bandwidth);
return estimate;
}
private readonly IList<double> _samples;
public IList<double> Samples
{
get { return _samples; }
}
private double _bandwidth = 1;
public double Bandwidth
{
get { return _bandwidth; }
set
{
if (value <= 0)
{
throw new ArgumentException("The bandwidth must be a positive number!");
}
_bandwidth = value;
}
}
private KDEKernelType _kernelType;
public KDEKernelType KernelType
{
get { return _kernelType; }
set
{
switch (value)
{
case KDEKernelType.Gaussian:
{
Kernel = x => Normal.PDF(0.0, 1.0, x);
_kernelType = KDEKernelType.Gaussian;
}
break;
case KDEKernelType.Epanechnikov:
{
Kernel = x => Math.Abs(x) <= 1.0 ? 0.75 * (1 - x * x) : 0.0;
_kernelType = KDEKernelType.Epanechnikov;
}
break;
case KDEKernelType.Uniform:
{
Kernel = x => ContinuousUniform.PDF(-1.0, 1.0, x);
_kernelType = KDEKernelType.Uniform;
}
break;
case KDEKernelType.Triangular:
{
Kernel = x => Triangular.PDF(-1.0, 1.0, 0.0, x);
_kernelType = KDEKernelType.Triangular;
}
break;
case KDEKernelType.Custom:
throw new ArgumentException("In order to set a custom Kernel, property Kernel must be set directly.");
}
}
}
private Func<double, double> _kernel;
/// <summary>
/// Sets or Gets the Kernel used for the density estimate.
/// Setting the Kernel changes the <see cref="KernelDensityEstimator.KernelType"/> to <see cref="KDEKernelType.Custom"/>
/// A Kernel is a real function with Integral 1. Typically, it is also positive and symmetric about 0.
/// Note that none of these properties are checked.
/// </summary>
public Func<double, double> Kernel
{
get { return _kernel; }
set
{
_kernel = value;
_kernelType = KDEKernelType.Custom;
}
}
public double SelectBandwidth(KDEBandwidthSelectionMethod bandwidthSelectionMethod)
{
throw new NotImplementedException();
}
}
}

87
src/UnitTests/StatisticsTests/KernelDensityEstimatorTests.cs → src/UnitTests/StatisticsTests/KernelDensityTests.cs

@ -37,7 +37,7 @@ namespace MathNet.Numerics.UnitTests.StatisticsTests
/// Kernel Density Estimator tests.
/// </summary>
[TestFixture, Category("Statistics")]
public class KernelDensityEstimatorTests
public class KernelDensityTests
{
private readonly double[] _testData =
{
@ -56,132 +56,103 @@ namespace MathNet.Numerics.UnitTests.StatisticsTests
[Test]
public void KDETestGaussianKernelBandwidth1()
{
var kde = new KernelDensityEstimator(_testData);
//Density of standard normal distribution at 0
AssertHelpers.AlmostEqualRelative(0.398942280401433, KernelDensity.GaussianKernel(0), 10);
Assert.AreEqual(KDEKernelType.Gaussian, kde.KernelType);
Assert.AreEqual(1.0d, kde.Bandwidth);
AssertHelpers.AlmostEqualRelative(0.398942280401433, kde.Kernel(0), 10); //Density of standard normal distribution at 0
var estimate = kde.EstimateDensity(-3.5);
var estimate = KernelDensity.EstimateGaussian(-3.5d, 1.0d, _testData);
AssertHelpers.AlmostEqualRelative(0.004115405028907, estimate, 10);
estimate = kde.EstimateDensity(0);
estimate = KernelDensity.EstimateGaussian(0.0d, 1.0d, _testData);
AssertHelpers.AlmostEqualRelative(0.310485907659139, estimate, 10);
estimate = kde.EstimateDensity(2);
estimate = KernelDensity.EstimateGaussian(2.0d, 1.0d, _testData);
AssertHelpers.AlmostEqualRelative(0.099698581377801, estimate, 10);
}
[Test]
public void KDETestTriangularKernelBandwidth1()
{
var kde = new KernelDensityEstimator(_testData);
kde.KernelType = KDEKernelType.Triangular;
Assert.AreEqual(KDEKernelType.Triangular, kde.KernelType);
Assert.AreEqual(1.0d, kde.Bandwidth);
Assert.AreEqual(1.0d, kde.Kernel(0)); //Density of standard normal distribution at 0
Assert.AreEqual(1.0d, KernelDensity.TriangularKernel(0));
var estimate = kde.EstimateDensity(-3.5);
var estimate = KernelDensity.EstimateTriangular(-3.5d, 1.0d, _testData);
AssertHelpers.AlmostEqualRelative(0, estimate, 10);
estimate = kde.EstimateDensity(0);
estimate = KernelDensity.EstimateTriangular(0.0d, 1.0d, _testData);
AssertHelpers.AlmostEqualRelative(0.347688490533868, estimate, 10);
estimate = kde.EstimateDensity(2);
estimate = KernelDensity.EstimateTriangular(2.0d, 1.0d, _testData);
AssertHelpers.AlmostEqualRelative(0.004216757636608, estimate, 10);
}
[Test]
public void KDETestUniformKernelBandwidth1()
{
var kde = new KernelDensityEstimator(_testData);
kde.KernelType = KDEKernelType.Uniform;
Assert.AreEqual(0.5d, KernelDensity.UniformKernel(0));
Assert.AreEqual(KDEKernelType.Uniform, kde.KernelType);
Assert.AreEqual(1.0d, kde.Bandwidth);
Assert.AreEqual(0.5d, kde.Kernel(0));
var estimate = kde.EstimateDensity(-3.5);
var estimate = KernelDensity.EstimateUniform(-3.5d, 1.0d, _testData);
AssertHelpers.AlmostEqualRelative(0, estimate, 10);
estimate = kde.EstimateDensity(0);
estimate = KernelDensity.EstimateUniform(0.0d, 1.0d, _testData);
AssertHelpers.AlmostEqualRelative(0.35, estimate, 10);
estimate = kde.EstimateDensity(2);
estimate = KernelDensity.EstimateUniform(2.0d, 1.0d, _testData);
AssertHelpers.AlmostEqualRelative(0.1, estimate, 10);
}
[Test]
public void KDETestEpanechnikovKernelBandwidth1()
{
var kde = new KernelDensityEstimator(_testData);
kde.KernelType = KDEKernelType.Epanechnikov;
Assert.AreEqual(KDEKernelType.Epanechnikov, kde.KernelType);
Assert.AreEqual(1.0d, kde.Bandwidth);
Assert.AreEqual(0.75d, kde.Kernel(0));
Assert.AreEqual(0.75d, KernelDensity.EpanechnikovKernel(0));
var estimate = kde.EstimateDensity(-3.5);
var estimate = KernelDensity.EstimateEpanechnikov(-3.5d, 1.0d, _testData);
AssertHelpers.AlmostEqualRelative(0, estimate, 10);
estimate = kde.EstimateDensity(0);
estimate = KernelDensity.EstimateEpanechnikov(0.0d, 1.0d, _testData);
AssertHelpers.AlmostEqualRelative(0.353803214812608, estimate, 10);
estimate = kde.EstimateDensity(2);
estimate = KernelDensity.EstimateEpanechnikov(2.0d, 1.0d, _testData);
AssertHelpers.AlmostEqualRelative(0.006248168996717, estimate, 10);
}
[Test]
public void KDETestGaussianKernelBandwidth0p5()
{
var kde = new KernelDensityEstimator(_testData);
kde.Bandwidth = 0.5d;
var estimate = kde.EstimateDensity(-3.5);
var estimate = KernelDensity.EstimateGaussian(-3.5d, 0.5d, _testData);
AssertHelpers.AlmostEqualRelative(5.311490430807364e-007, estimate, 10);
estimate = kde.EstimateDensity(0);
estimate = KernelDensity.EstimateGaussian(0.0d, 0.5d, _testData);
AssertHelpers.AlmostEqualRelative(0.369994803886827, estimate, 10);
estimate = kde.EstimateDensity(2);
estimate = KernelDensity.EstimateGaussian(2.0d, 0.5d, _testData);
AssertHelpers.AlmostEqualRelative(0.032447347007482, estimate, 10);
}
[Test]
public void KDETestGaussianKernelBandwidth2()
{
var kde = new KernelDensityEstimator(_testData);
kde.Bandwidth = 2.0d;
var estimate = kde.EstimateDensity(-3.5);
var estimate = KernelDensity.EstimateGaussian(-3.5d, 2.0d, _testData);
AssertHelpers.AlmostEqualRelative(0.046875864115900, estimate, 10);
estimate = kde.EstimateDensity(0);
estimate = KernelDensity.EstimateGaussian(0.0d, 2.0d, _testData);
AssertHelpers.AlmostEqualRelative(0.186580447512078, estimate, 10);
estimate = kde.EstimateDensity(2);
estimate = KernelDensity.EstimateGaussian(2.0d, 2.0d, _testData);
AssertHelpers.AlmostEqualRelative(0.123339405007761, estimate, 10);
}
[Test]
public void KDETestCustomKernelBandwidth1()
{
var kde = new KernelDensityEstimator(_testData);
kde.Bandwidth = 1.0d;
kde.Kernel = x => 0.5d * Math.Exp(-Math.Abs(x)); //Picard-Kernel
Assert.AreEqual(KDEKernelType.Custom, kde.KernelType);
Assert.AreEqual(1.0d, kde.Bandwidth);
Assert.AreEqual(0.5d, kde.Kernel(0));
double Kernel(double x) => 0.5d * Math.Exp(-Math.Abs(x));
Assert.AreEqual(0.5d, Kernel(0));
var estimate = kde.EstimateDensity(-3.5);
var estimate = KernelDensity.Estimate(-3.5d, 1.0d, _testData, Kernel);
AssertHelpers.AlmostEqualRelative(0.018396636706009, estimate, 10);
estimate = kde.EstimateDensity(0);
estimate = KernelDensity.Estimate(0.0d, 1.0d, _testData, Kernel);
AssertHelpers.AlmostEqualRelative(0.272675897096678, estimate, 10);
estimate = kde.EstimateDensity(2);
estimate = KernelDensity.Estimate(2.0d, 1.0d, _testData, Kernel);
AssertHelpers.AlmostEqualRelative(0.092580285110347, estimate, 10);
}
}
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