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 two-sample testing






MMD-Fuse: Learning and Combining Kernels for Two-Sample Testing Without Data Splitting

Neural Information Processing Systems

We propose novel statistics which maximise the power of a two-sample test based on the Maximum Mean Discrepancy (MMD), byadapting over the set of kernels used in defining it.For finite sets, this reduces to combining (normalised) MMD values under each of these kernels via a weighted soft maximum.Exponential concentration bounds are proved for our proposed statistics under the null and alternative.We further show how these kernels can be chosen in a data-dependent but permutation-independent way, in a well-calibrated test, avoiding data splitting.This technique applies more broadly to general permutation-based MMD testing, and includes the use of deep kernels with features learnt using unsupervised models such as auto-encoders.We highlight the applicability of our MMD-Fuse tests on both synthetic low-dimensional and real-world high-dimensional data, and compare its performance in terms of power against current state-of-the-art kernel tests.


Fusion of classical and quantum kernels enables accurate and robust two-sample tests

Terada, Yu, Ogio, Yugo, Arai, Ken, Tezuka, Hiroyuki, Tanaka, Yu

arXiv.org Artificial Intelligence

Two-sample tests have been extensively employed in various scientific fields and machine learning such as evaluation on the effectiveness of drugs and A/B testing on different marketing strategies to discriminate whether two sets of samples come from the same distribution or not. Kernel-based procedures for hypothetical testing have been proposed to efficiently disentangle high-dimensional complex structures in data to obtain accurate results in a model-free way by embedding the data into the reproducing kernel Hilbert space (RKHS). While the choice of kernels plays a crucial role for their performance, little is understood about how to choose kernel especially for small datasets. Here we aim to construct a hypothetical test which is effective even for small datasets, based on the theoretical foundation of kernel-based tests using maximum mean discrepancy, which is called MMD-FUSE. To address this, we enhance the MMD-FUSE framework by incorporating quantum kernels and propose a novel hybrid testing strategy that fuses classical and quantum kernels. This approach creates a powerful and adaptive test by combining the domain-specific inductive biases of classical kernels with the unique expressive power of quantum kernels. We evaluate our method on various synthetic and real-world clinical datasets, and our experiments reveal two key findings: 1) With appropriate hyperparameter tuning, MMD-FUSE with quantum kernels consistently improves test power over classical counterparts, especially for small and high-dimensional data. 2) The proposed hybrid framework demonstrates remarkable robustness, adapting to different data characteristics and achieving high test power across diverse scenarios. These results highlight the potential of quantum-inspired and hybrid kernel strategies to build more effective statistical tests, offering a versatile tool for data analysis where sample sizes are limited.


Efficient Nonparametric Smoothness Estimation

Shashank Singh, Simon S. Du, Barnabas Poczos

Neural Information Processing Systems

Sobolev quantities (norms, inner products, and distances) of probability density functions are important in the theory of nonparametric statistics, but have rarely been used in practice, due to a lack of practical estimators.


Minimax-Optimal Two-Sample Test with Sliced Wasserstein

Tran, Binh Thuan, Schreuder, Nicolas

arXiv.org Machine Learning

We study the problem of nonparametric two-sample testing using the sliced Wasserstein (SW) distance. While prior theoretical and empirical work indicates that the SW distance offers a promising balance between strong statistical guarantees and computational efficiency, its theoretical foundations for hypothesis testing remain limited. We address this gap by proposing a permutation-based SW test and analyzing its performance. The test inherits finite-sample Type I error control from the permutation principle. Moreover, we establish non-asymptotic power bounds and show that the procedure achieves the minimax separation rate $n^{-1/2}$ over multinomial and bounded-support alternatives, matching the optimal guarantees of kernel-based tests while building on the geometric foundations of Wasserstein distances. Our analysis further quantifies the trade-off between the number of projections and statistical power. Finally, numerical experiments demonstrate that the test combines finite-sample validity with competitive power and scalability, and -- unlike kernel-based tests, which require careful kernel tuning -- it performs consistently well across all scenarios we consider.