skip to main content
US FlagAn official website of the United States government
dot gov icon
Official websites use .gov
A .gov website belongs to an official government organization in the United States.
https lock icon
Secure .gov websites use HTTPS
A lock ( lock ) or https:// means you've safely connected to the .gov website. Share sensitive information only on official, secure websites.


Title: Boosting the power of kernel two-sample tests
The kernel two-sample test based on the maximum mean discrepancy is one of the most popular methods for detecting differences between two distributions over general metric spaces. In this paper we propose a method to boost the power of the kernel test by combining maximum mean discrepancy estimates over multiple kernels using their Mahalanobis distance. We derive the asymptotic null distribution of the proposed test statistic and use a multiplier bootstrap approach to efficiently compute the rejection region. The resulting test is universally consistent and, since it is obtained by aggregating over a collection of kernels/bandwidths, is more powerful in detecting a wide range of alternatives in finite samples. We also derive the distribution of the test statistic for both fixed and local contiguous alternatives. The latter, in particular, implies that the proposed test is statistically efficient, that is, it has nontrivial asymptotic (Pitman) efficiency. The consistency properties of the Mahalanobis and other natural aggregation methods are also explored when the number of kernels is allowed to grow with the sample size. Extensive numerical experiments are performed on both synthetic and real-world datasets to illustrate the efficacy of the proposed method over single-kernel tests. The computational complexity of the proposed method is also studied, both theoretically and in simulations. Our asymptotic results rely on deriving the joint distribution of the maximum mean discrepancy estimates using the framework of multiple stochastic integrals, which is more broadly useful, specifically, in understanding the efficiency properties of recently proposed adaptive maximum mean discrepancy tests based on kernel aggregation and also in developing more computationally efficient, linear-time tests that combine multiple kernels. We conclude with an application of the Mahalanobis aggregation method for kernels with diverging scaling parameters.  more » « less
Award ID(s):
2046393
PAR ID:
10587604
Author(s) / Creator(s):
;
Publisher / Repository:
Oxford University Press
Date Published:
Journal Name:
Biometrika
Volume:
112
Issue:
1
ISSN:
1464-3510
Format(s):
Medium: X
Sponsoring Org:
National Science Foundation
More Like this
  1. We characterize the asymptotic performance of nonparametric goodness of fit testing. The exponential decay rate of the type-II error probability is used as the asymptotic performance metric, and a test is optimal if it achieves the maximum rate subject to a constant level constraint on the type-I error probability. We show that two classes of Maximum Mean Discrepancy (MMD) based tests attain this optimality on Rd, while the quadratictime Kernel Stein Discrepancy (KSD) based tests achieve the maximum exponential decay rate under a relaxed level constraint. Under the same performance metric, we proceed to show that the quadratic-time MMD based two-sample tests are also optimal for general two-sample problems, provided that kernels are bounded continuous and characteristic. Key to our approach are Sanov’s theorem from large deviation theory and the weak metrizable properties of the MMD and KSD. 
    more » « less
  2. Abstract The paper introduces a new kernel-based Maximum Mean Discrepancy (MMD) statistic for measuring the distance between two distributions given finitely many multivariate samples. When the distributions are locally low-dimensional, the proposed test can be made more powerful to distinguish certain alternatives by incorporating local covariance matrices and constructing an anisotropic kernel. The kernel matrix is asymmetric; it computes the affinity between $$n$$ data points and a set of $$n_R$$ reference points, where $$n_R$$ can be drastically smaller than $$n$$. While the proposed statistic can be viewed as a special class of Reproducing Kernel Hilbert Space MMD, the consistency of the test is proved, under mild assumptions of the kernel, as long as $$\|p-q\| \sqrt{n} \to \infty $$, and a finite-sample lower bound of the testing power is obtained. Applications to flow cytometry and diffusion MRI datasets are demonstrated, which motivate the proposed approach to compare distributions. 
    more » « less
  3. Tests of conditional independence (CI) of ran- dom variables play an important role in ma- chine learning and causal inference. Of partic- ular interest are kernel-based CI tests which allow us to test for independence among ran- dom variables with complex distribution func- tions. The efficacy of a CI test is measured in terms of its power and its calibratedness. We show that the Kernel CI Permutation Test (KCIPT) suffers from a loss of calibratedness as its power is increased by increasing the number of bootstraps. To address this limita- tion, we propose a novel CI test, called Self- Discrepancy Conditional Independence Test (SDCIT). SDCIT uses a test statistic that is a modified unbiased estimate of maximum mean discrepancy (MMD), the largest difference in the means of features of the given sample and its permuted counterpart in the kernel-induced Hilbert space. We present results of experi- ments that demonstrate SDCIT is, relative to the other methods: (i) competitive in terms of its power and calibratedness, outperforming other methods when the number of condition- ing variables is large; (ii) more robust with re- spect to the choice of the kernel function; and (iii) competitive in run time. 
    more » « less
  4. In spite of its urgent importance in the era of big data, testing high-dimensional parameters in generalized linear models (GLMs) in the presence of high-dimensional nuisance parameters has been largely under-studied, especially with regard to constructing powerful tests for general (and unknown) alternatives. Most existing tests are powerful only against certain alternatives and may yield incorrect Type I error rates under high-dimensional nuisance parameter situations. In this paper, we propose the adaptive interaction sum of powered score (aiSPU) test in the framework of penalized regression with a non-convex penalty, called truncated Lasso penalty (TLP), which can maintain correct Type I error rates while yielding high statistical power across a wide range of alternatives. To calculate its p-values analytically, we derive its asymptotic null distribution. Via simulations, its superior finite-sample performance is demonstrated over several representative existing methods. In addition, we apply it and other representative tests to an Alzheimer’s Disease Neuroimaging Initiative (ADNI) data set, detecting possible gene-gender interactions for Alzheimer’s disease. We also put R package “aispu” implementing the proposed test on GitHub. 
    more » « less
  5. Summary Kernel two-sample tests have been widely used for multivariate data to test equality of distributions. However, existing tests based on mapping distributions into a reproducing kernel Hilbert space mainly target specific alternatives and do not work well for some scenarios when the dimension of the data is moderate to high due to the curse of dimensionality. We propose a new test statistic that makes use of a common pattern under moderate and high dimensions and achieves substantial power improvements over existing kernel two-sample tests for a wide range of alternatives. We also propose alternative testing procedures that maintain high power with low computational cost, offering easy off-the-shelf tools for large datasets. The new approaches are compared to other state-of-the-art tests under various settings and show good performance. We showcase the new approaches through two applications: the comparison of musks and nonmusks using the shape of molecules, and the comparison of taxi trips starting from John F. Kennedy airport in consecutive months. All proposed methods are implemented in an R package kerTests. 
    more » « less