FastMMD: Ensemble of Circular Discrepancy for Efficient Two-Sample Test

The maximum mean discrepancy (MMD) is a recently proposed test statistic for two-sample test. Its quadratic time complexity, however, greatly hampers its availability to large-scale applications. To accelerate the MMD calculation, in this study we propose an efficient method called FastMMD. The core idea of FastMMD is to equivalently transform the MMD with shift-invariant kernels into the amplitude expectation of a linear combination of sinusoid components based on Bochner's theorem and Fourier transform (Rahimi & Recht, 2007). Taking advantage of sampling of Fourier transform, FastMMD decreases the time complexity for MMD calculation from $O(N^2 d)$ to $O(L N d)$, where $N$ and $d$ are the size and dimension of the sample set, respectively. Here $L$ is the number of basis functions for approximating kernels which determines the approximation accuracy. For kernels that are spherically invariant, the computation can be further accelerated to $O(L N \log d)$ by using the Fastfood technique (Le et al., 2013). The uniform convergence of our method has also been theoretically proved in both unbiased and biased estimates. We have further provided a geometric explanation for our method, namely ensemble of circular discrepancy, which facilitates us to understand the insight of MMD, and is hopeful to help arouse more extensive metrics for assessing two-sample test. Experimental results substantiate that FastMMD is with similar accuracy as exact MMD, while with faster computation speed and lower variance than the existing MMD approximation methods

Equivalence of distance-based and RKHS-based statistics in hypothesis testing

We provide a unifying framework linking two classes of statistics used in two-sample and independence testing: on the one hand, the energy distances and distance covariances from the statistics literature; on the other, maximum mean discrepancies (MMD), that is, distances between embeddings of distributions to reproducing kernel Hilbert spaces (RKHS), as established in machine learning. In the case where the energy distance is computed with a semimetric of negative type, a positive definite kernel, termed distance kernel, may be defined such that the MMD corresponds exactly to the energy distance. Conversely, for any positive definite kernel, we can interpret the MMD as energy distance with respect to some negative-type semimetric. This equivalence readily extends to distance covariance using kernels on the product space. We determine the class of probability distributions for which the test statistics are consistent against all alternatives. Finally, we investigate the performance of the family of distance kernels in two-sample and independence tests: we show in particular that the energy distance most commonly employed in statistics is just one member of a parametric family of kernels, and that other choices from this family can yield more powerful tests.Comment: Published in at http://dx.doi.org/10.1214/13-AOS1140 the Annals of Statistics (http://www.imstat.org/aos/) by the Institute of Mathematical Statistics (http://www.imstat.org