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Statistical sampling library for use in virtdata libraries, based on apache commons math 4

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/*
 * Licensed to the Apache Software Foundation (ASF) under one or more
 * contributor license agreements.  See the NOTICE file distributed with
 * this work for additional information regarding copyright ownership.
 * The ASF licenses this file to You under the Apache License, Version 2.0
 * (the "License"); you may not use this file except in compliance with
 * the License.  You may obtain a copy of the License at
 *
 *      http://www.apache.org/licenses/LICENSE-2.0
 *
 * Unless required by applicable law or agreed to in writing, software
 * distributed under the License is distributed on an "AS IS" BASIS,
 * WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
 * See the License for the specific language governing permissions and
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package org.apache.commons.math4.stat.inference;

import org.apache.commons.statistics.distribution.ChiSquaredDistribution;
import org.apache.commons.math4.exception.DimensionMismatchException;
import org.apache.commons.math4.exception.MaxCountExceededException;
import org.apache.commons.math4.exception.NotPositiveException;
import org.apache.commons.math4.exception.NotStrictlyPositiveException;
import org.apache.commons.math4.exception.OutOfRangeException;
import org.apache.commons.math4.exception.ZeroException;
import org.apache.commons.math4.exception.util.LocalizedFormats;
import org.apache.commons.math4.util.FastMath;
import org.apache.commons.math4.util.MathArrays;

/**
 * Implements G Test
 * statistics.
 *
 * 

This is known in statistical genetics as the McDonald-Kreitman test. * The implementation handles both known and unknown distributions.

* *

Two samples tests can be used when the distribution is unknown a priori * but provided by one sample, or when the hypothesis under test is that the two * samples come from the same underlying distribution.

* * @since 3.1 */ public class GTest { /** * Computes the G statistic * for Goodness of Fit comparing {@code observed} and {@code expected} * frequency counts. * *

This statistic can be used to perform a G test (Log-Likelihood Ratio * Test) evaluating the null hypothesis that the observed counts follow the * expected distribution.

* *

Preconditions:

    *
  • Expected counts must all be positive.
  • *
  • Observed counts must all be ≥ 0.
  • *
  • The observed and expected arrays must have the same length and their * common length must be at least 2.
* *

If any of the preconditions are not met, a * {@code MathIllegalArgumentException} is thrown.

* *

Note:This implementation rescales the * {@code expected} array if necessary to ensure that the sum of the * expected and observed counts are equal.

* * @param observed array of observed frequency counts * @param expected array of expected frequency counts * @return G-Test statistic * @throws NotPositiveException if {@code observed} has negative entries * @throws NotStrictlyPositiveException if {@code expected} has entries that * are not strictly positive * @throws DimensionMismatchException if the array lengths do not match or * are less than 2. */ public double g(final double[] expected, final long[] observed) throws NotPositiveException, NotStrictlyPositiveException, DimensionMismatchException { if (expected.length < 2) { throw new DimensionMismatchException(expected.length, 2); } if (expected.length != observed.length) { throw new DimensionMismatchException(expected.length, observed.length); } MathArrays.checkPositive(expected); MathArrays.checkNonNegative(observed); double sumExpected = 0d; double sumObserved = 0d; for (int i = 0; i < observed.length; i++) { sumExpected += expected[i]; sumObserved += observed[i]; } double ratio = 1d; boolean rescale = false; if (FastMath.abs(sumExpected - sumObserved) > 10E-6) { ratio = sumObserved / sumExpected; rescale = true; } double sum = 0d; for (int i = 0; i < observed.length; i++) { final double dev = rescale ? FastMath.log((double) observed[i] / (ratio * expected[i])) : FastMath.log((double) observed[i] / expected[i]); sum += ((double) observed[i]) * dev; } return 2d * sum; } /** * Returns the observed significance level, or p-value, * associated with a G-Test for goodness of fit comparing the * {@code observed} frequency counts to those in the {@code expected} array. * *

The number returned is the smallest significance level at which one * can reject the null hypothesis that the observed counts conform to the * frequency distribution described by the expected counts.

* *

The probability returned is the tail probability beyond * {@link #g(double[], long[]) g(expected, observed)} * in the ChiSquare distribution with degrees of freedom one less than the * common length of {@code expected} and {@code observed}.

* *

Preconditions:

    *
  • Expected counts must all be positive.
  • *
  • Observed counts must all be ≥ 0.
  • *
  • The observed and expected arrays must have the * same length and their common length must be at least 2.
  • *
* *

If any of the preconditions are not met, a * {@code MathIllegalArgumentException} is thrown.

* *

Note:This implementation rescales the * {@code expected} array if necessary to ensure that the sum of the * expected and observed counts are equal.

* * @param observed array of observed frequency counts * @param expected array of expected frequency counts * @return p-value * @throws NotPositiveException if {@code observed} has negative entries * @throws NotStrictlyPositiveException if {@code expected} has entries that * are not strictly positive * @throws DimensionMismatchException if the array lengths do not match or * are less than 2. * @throws MaxCountExceededException if an error occurs computing the * p-value. */ public double gTest(final double[] expected, final long[] observed) throws NotPositiveException, NotStrictlyPositiveException, DimensionMismatchException, MaxCountExceededException { // pass a null rng to avoid unneeded overhead as we will not sample from this distribution final ChiSquaredDistribution distribution = new ChiSquaredDistribution(expected.length - 1.0); return 1.0 - distribution.cumulativeProbability(g(expected, observed)); } /** * Returns the intrinsic (Hardy-Weinberg proportions) p-Value, as described * in p64-69 of McDonald, J.H. 2009. Handbook of Biological Statistics * (2nd ed.). Sparky House Publishing, Baltimore, Maryland. * *

The probability returned is the tail probability beyond * {@link #g(double[], long[]) g(expected, observed)} * in the ChiSquare distribution with degrees of freedom two less than the * common length of {@code expected} and {@code observed}.

* * @param observed array of observed frequency counts * @param expected array of expected frequency counts * @return p-value * @throws NotPositiveException if {@code observed} has negative entries * @throws NotStrictlyPositiveException {@code expected} has entries that are * not strictly positive * @throws DimensionMismatchException if the array lengths do not match or * are less than 2. * @throws MaxCountExceededException if an error occurs computing the * p-value. */ public double gTestIntrinsic(final double[] expected, final long[] observed) throws NotPositiveException, NotStrictlyPositiveException, DimensionMismatchException, MaxCountExceededException { // pass a null rng to avoid unneeded overhead as we will not sample from this distribution final ChiSquaredDistribution distribution = new ChiSquaredDistribution(expected.length - 2.0); return 1.0 - distribution.cumulativeProbability(g(expected, observed)); } /** * Performs a G-Test (Log-Likelihood Ratio Test) for goodness of fit * evaluating the null hypothesis that the observed counts conform to the * frequency distribution described by the expected counts, with * significance level {@code alpha}. Returns true iff the null * hypothesis can be rejected with {@code 100 * (1 - alpha)} percent confidence. * *

Example:
To test the hypothesis that * {@code observed} follows {@code expected} at the 99% level, * use

* {@code gTest(expected, observed, 0.01)}

* *

Returns true iff {@link #gTest(double[], long[]) * gTestGoodnessOfFitPValue(expected, observed)} < alpha

* *

Preconditions:

    *
  • Expected counts must all be positive.
  • *
  • Observed counts must all be ≥ 0.
  • *
  • The observed and expected arrays must have the same length and their * common length must be at least 2. *
  • {@code 0 < alpha < 0.5}
* *

If any of the preconditions are not met, a * {@code MathIllegalArgumentException} is thrown.

* *

Note:This implementation rescales the * {@code expected} array if necessary to ensure that the sum of the * expected and observed counts are equal.

* * @param observed array of observed frequency counts * @param expected array of expected frequency counts * @param alpha significance level of the test * @return true iff null hypothesis can be rejected with confidence 1 - * alpha * @throws NotPositiveException if {@code observed} has negative entries * @throws NotStrictlyPositiveException if {@code expected} has entries that * are not strictly positive * @throws DimensionMismatchException if the array lengths do not match or * are less than 2. * @throws MaxCountExceededException if an error occurs computing the * p-value. * @throws OutOfRangeException if alpha is not strictly greater than zero * and less than or equal to 0.5 */ public boolean gTest(final double[] expected, final long[] observed, final double alpha) throws NotPositiveException, NotStrictlyPositiveException, DimensionMismatchException, OutOfRangeException, MaxCountExceededException { if ((alpha <= 0) || (alpha > 0.5)) { throw new OutOfRangeException(LocalizedFormats.OUT_OF_BOUND_SIGNIFICANCE_LEVEL, alpha, 0, 0.5); } return gTest(expected, observed) < alpha; } /** * Calculates the Shannon * entropy for 2 Dimensional Matrix. The value returned is the entropy * of the vector formed by concatenating the rows (or columns) of {@code k} * to form a vector. See {@link #entropy(long[])}. * * @param k 2 Dimensional Matrix of long values (for ex. the counts of a * trials) * @return Shannon Entropy of the given Matrix * */ private double entropy(final long[][] k) { double h = 0d; double sum_k = 0d; for (int i = 0; i < k.length; i++) { for (int j = 0; j < k[i].length; j++) { sum_k += (double) k[i][j]; } } for (int i = 0; i < k.length; i++) { for (int j = 0; j < k[i].length; j++) { if (k[i][j] != 0) { final double p_ij = (double) k[i][j] / sum_k; h += p_ij * FastMath.log(p_ij); } } } return -h; } /** * Calculates the * Shannon entropy for a vector. The values of {@code k} are taken to be * incidence counts of the values of a random variable. What is returned is
* ∑pilog(pi
* where pi = k[i] / (sum of elements in k) * * @param k Vector (for ex. Row Sums of a trials) * @return Shannon Entropy of the given Vector * */ private double entropy(final long[] k) { double h = 0d; double sum_k = 0d; for (int i = 0; i < k.length; i++) { sum_k += (double) k[i]; } for (int i = 0; i < k.length; i++) { if (k[i] != 0) { final double p_i = (double) k[i] / sum_k; h += p_i * FastMath.log(p_i); } } return -h; } /** *

Computes a G (Log-Likelihood Ratio) two sample test statistic for * independence comparing frequency counts in * {@code observed1} and {@code observed2}. The sums of frequency * counts in the two samples are not required to be the same. The formula * used to compute the test statistic is

* *

{@code 2 * totalSum * [H(rowSums) + H(colSums) - H(k)]}

* *

where {@code H} is the * * Shannon Entropy of the random variable formed by viewing the elements * of the argument array as incidence counts;
* {@code k} is a matrix with rows {@code [observed1, observed2]};
* {@code rowSums, colSums} are the row/col sums of {@code k};
* and {@code totalSum} is the overall sum of all entries in {@code k}.

* *

This statistic can be used to perform a G test evaluating the null * hypothesis that both observed counts are independent

* *

Preconditions:

    *
  • Observed counts must be non-negative.
  • *
  • Observed counts for a specific bin must not both be zero.
  • *
  • Observed counts for a specific sample must not all be 0.
  • *
  • The arrays {@code observed1} and {@code observed2} must have * the same length and their common length must be at least 2.
* *

If any of the preconditions are not met, a * {@code MathIllegalArgumentException} is thrown.

* * @param observed1 array of observed frequency counts of the first data set * @param observed2 array of observed frequency counts of the second data * set * @return G-Test statistic * @throws DimensionMismatchException the lengths of the arrays do not * match or their common length is less than 2 * @throws NotPositiveException if any entry in {@code observed1} or * {@code observed2} is negative * @throws ZeroException if either all counts of * {@code observed1} or {@code observed2} are zero, or if the count * at the same index is zero for both arrays. */ public double gDataSetsComparison(final long[] observed1, final long[] observed2) throws DimensionMismatchException, NotPositiveException, ZeroException { // Make sure lengths are same if (observed1.length < 2) { throw new DimensionMismatchException(observed1.length, 2); } if (observed1.length != observed2.length) { throw new DimensionMismatchException(observed1.length, observed2.length); } // Ensure non-negative counts MathArrays.checkNonNegative(observed1); MathArrays.checkNonNegative(observed2); // Compute and compare count sums long countSum1 = 0; long countSum2 = 0; // Compute and compare count sums final long[] collSums = new long[observed1.length]; final long[][] k = new long[2][observed1.length]; for (int i = 0; i < observed1.length; i++) { if (observed1[i] == 0 && observed2[i] == 0) { throw new ZeroException(LocalizedFormats.OBSERVED_COUNTS_BOTTH_ZERO_FOR_ENTRY, i); } else { countSum1 += observed1[i]; countSum2 += observed2[i]; collSums[i] = observed1[i] + observed2[i]; k[0][i] = observed1[i]; k[1][i] = observed2[i]; } } // Ensure neither sample is uniformly 0 if (countSum1 == 0 || countSum2 == 0) { throw new ZeroException(); } final long[] rowSums = {countSum1, countSum2}; final double sum = (double) countSum1 + (double) countSum2; return 2 * sum * (entropy(rowSums) + entropy(collSums) - entropy(k)); } /** * Calculates the root log-likelihood ratio for 2 state Datasets. See * {@link #gDataSetsComparison(long[], long[] )}. * *

Given two events A and B, let k11 be the number of times both events * occur, k12 the incidence of B without A, k21 the count of A without B, * and k22 the number of times neither A nor B occurs. What is returned * by this method is

* *

{@code (sgn) sqrt(gValueDataSetsComparison({k11, k12}, {k21, k22})}

* *

where {@code sgn} is -1 if {@code k11 / (k11 + k12) < k21 / (k21 + k22))};
* 1 otherwise.

* *

Signed root LLR has two advantages over the basic LLR: a) it is positive * where k11 is bigger than expected, negative where it is lower b) if there is * no difference it is asymptotically normally distributed. This allows one * to talk about "number of standard deviations" which is a more common frame * of reference than the chi^2 distribution.

* * @param k11 number of times the two events occurred together (AB) * @param k12 number of times the second event occurred WITHOUT the * first event (notA,B) * @param k21 number of times the first event occurred WITHOUT the * second event (A, notB) * @param k22 number of times something else occurred (i.e. was neither * of these events (notA, notB) * @return root log-likelihood ratio * */ public double rootLogLikelihoodRatio(final long k11, long k12, final long k21, final long k22) { final double llr = gDataSetsComparison( new long[]{k11, k12}, new long[]{k21, k22}); double sqrt = FastMath.sqrt(llr); if ((double) k11 / (k11 + k12) < (double) k21 / (k21 + k22)) { sqrt = -sqrt; } return sqrt; } /** *

Returns the observed significance level, or * p-value, associated with a G-Value (Log-Likelihood Ratio) for two * sample test comparing bin frequency counts in {@code observed1} and * {@code observed2}.

* *

The number returned is the smallest significance level at which one * can reject the null hypothesis that the observed counts conform to the * same distribution.

* *

See {@link #gTest(double[], long[])} for details * on how the p-value is computed. The degrees of of freedom used to * perform the test is one less than the common length of the input observed * count arrays.

* *

Preconditions: *

  • Observed counts must be non-negative.
  • *
  • Observed counts for a specific bin must not both be zero.
  • *
  • Observed counts for a specific sample must not all be 0.
  • *
  • The arrays {@code observed1} and {@code observed2} must * have the same length and their common length must be at least 2.
  • *
*

If any of the preconditions are not met, a * {@code MathIllegalArgumentException} is thrown.

* * @param observed1 array of observed frequency counts of the first data set * @param observed2 array of observed frequency counts of the second data * set * @return p-value * @throws DimensionMismatchException the length of the arrays does not * match or their common length is less than 2 * @throws NotPositiveException if any of the entries in {@code observed1} or * {@code observed2} are negative * @throws ZeroException if either all counts of {@code observed1} or * {@code observed2} are zero, or if the count at some index is * zero for both arrays * @throws MaxCountExceededException if an error occurs computing the * p-value. */ public double gTestDataSetsComparison(final long[] observed1, final long[] observed2) throws DimensionMismatchException, NotPositiveException, ZeroException, MaxCountExceededException { // pass a null rng to avoid unneeded overhead as we will not sample from this distribution final ChiSquaredDistribution distribution = new ChiSquaredDistribution((double) observed1.length - 1); return 1 - distribution.cumulativeProbability( gDataSetsComparison(observed1, observed2)); } /** *

Performs a G-Test (Log-Likelihood Ratio Test) comparing two binned * data sets. The test evaluates the null hypothesis that the two lists * of observed counts conform to the same frequency distribution, with * significance level {@code alpha}. Returns true iff the null * hypothesis can be rejected with 100 * (1 - alpha) percent confidence. *

*

See {@link #gDataSetsComparison(long[], long[])} for details * on the formula used to compute the G (LLR) statistic used in the test and * {@link #gTest(double[], long[])} for information on how * the observed significance level is computed. The degrees of of freedom used * to perform the test is one less than the common length of the input observed * count arrays.

* * Preconditions:
    *
  • Observed counts must be non-negative.
  • *
  • Observed counts for a specific bin must not both be zero.
  • *
  • Observed counts for a specific sample must not all be 0.
  • *
  • The arrays {@code observed1} and {@code observed2} must * have the same length and their common length must be at least 2.
  • *
  • {@code 0 < alpha < 0.5}
* *

If any of the preconditions are not met, a * {@code MathIllegalArgumentException} is thrown.

* * @param observed1 array of observed frequency counts of the first data set * @param observed2 array of observed frequency counts of the second data * set * @param alpha significance level of the test * @return true iff null hypothesis can be rejected with confidence 1 - * alpha * @throws DimensionMismatchException the length of the arrays does not * match * @throws NotPositiveException if any of the entries in {@code observed1} or * {@code observed2} are negative * @throws ZeroException if either all counts of {@code observed1} or * {@code observed2} are zero, or if the count at some index is * zero for both arrays * @throws OutOfRangeException if {@code alpha} is not in the range * (0, 0.5] * @throws MaxCountExceededException if an error occurs performing the test */ public boolean gTestDataSetsComparison( final long[] observed1, final long[] observed2, final double alpha) throws DimensionMismatchException, NotPositiveException, ZeroException, OutOfRangeException, MaxCountExceededException { if (alpha <= 0 || alpha > 0.5) { throw new OutOfRangeException( LocalizedFormats.OUT_OF_BOUND_SIGNIFICANCE_LEVEL, alpha, 0, 0.5); } return gTestDataSetsComparison(observed1, observed2) < alpha; } }




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