arXiv subjects

Bharath K. Sriperumbudur

Publications and source records attributed to Bharath K. Sriperumbudur.

At least 19 recordsLinked to original sources

arXiv2026

Gaussian Processes and Reproducing Kernel Hilbert Spaces: Connections and Equivalences

This monograph studies the relations between two approaches using positive definite kernels: probabilistic methods using Gaussian processes, and non-probabilistic methods using reproducing kernel Hilbert spaces (RKHS). They are widely studied and used in machine learning, statistics, and numerical analysis. We study connections and equivalences for fundamental topics such as regression, interpolation, numerical integration, distributional discrepancies, and statistical dependence, as well as sample path properties of Gaussian processes. A unifying perspective for these equivalences is established, based on the equivalence between the Gaussian Hilbert space and the RKHS. The monograph serves as a basis to bridge many other methods based on Gaussian processes and reproducing kernels, which are developed in parallel by the two research communities.

stat.ML↗

arXiv2026

Nyström Kernel Stein Discrepancy Tests

Kernel Stein discrepancy (KSD) is among the most popular goodness-of-fit (GoF) measures on general domains with a large number of successful deployments. One of the main applications of KSD is in constructing powerful GoF tests. However, tests relying on the classical U-/V-statistic-based KSD estimators have two major drawbacks. (i) Their runtime scales quadratically in the number of samples. (ii) Their asymptotic null distribution is computationally intractable in most cases, typically handled by bootstrapping. While it is known that the Nyström method permits accelerating KSD estimation with no loss of statistical accuracy under mild conditions, to the best of our knowledge, the fundamental question of its impact on bootstrap-based GoF testing is open; resolving this question is the focus of the current paper. In particular, we prove that the key properties of the quadratic-time bootstrapped KSD-based GoF test (asymptotic level and local consistency) are preserved by its Nyström acceleration. We numerically demonstrate the efficiency of the accelerated KSD estimator and bootstrap in the context of GoF testing of spherical and functional data. Our numerical results show that the Nyström-accelerated method performs statistically on-par with the quadratic-time approach, while requiring substantially smaller runtime.

stat.ML↗

arXiv2026

Move on Muon : A Hamiltonian probability gradient flow perspective of Muon optimizer

We develop a gradient flow on the space of probability measures defined on matrix-valued parameters induced by regularized Muon, an analytically smoothed version of the idealized Muon optimizer. The key observation is that the regularized orthogonalization map is the gradient of a smooth Fenchel-dual smoothing of the nuclear norm. This identifies the (regularized) Muon update as a mirror/prox step in the update variable, with momentum acting as the dual coordinate. We use this structure to lift Muon from a single matrix parameter to finite-particle probability objectives of the form $J(ρ)=R\left(\int F d ρ\right)$, a setting motivated by mean-field descriptions of neural-network training, and derive the inertial continuous-time limit. Using this structure, we derive the finite-particle continuous-time limit under the inertial scaling of step size and momentum, and then pass to a phase-space mean-field equation over probability laws on parameter-momentum pairs. The resulting flow can be shown to be a damped Hamiltonian probability dynamics whose kinetic energy is induced by the regularized Muon mirror potential. We prove an exact Hamiltonian dissipation identity, showing that the Hamiltonian energy decreases monotonically. While the target objective itself need not be monotone along the inertial Muon dynamics, under additional gradient-dominance, bounded-momentum, and curvature/alignment assumptions, we obtain continuous and discrete-time exponential convergence rates for the objective gap. We also study the well-posedness of the mean-field limit equation and establish propagation of chaos guarantees for the interacting particle system. Finally, we extend the formulation to Hilbert-valued feature maps on product matrix spaces, yielding a blockwise Muon probability flow applicable to smooth transformer mixture-of-experts models.

stat.ML↗

arXiv2026

Sobolev Regularized MMD Gradient Flow

We propose Sobolev-regularized Maximum Mean Discrepancy (SrMMD) gradient flow, a regularized variant of maximum mean discrepancy (MMD) gradient flow based on a gradient penalty on the witness function. The proposed regularization mitigates the non-convexity of the MMD objective and yields provable \emph{global} convergence guarantees in MMD in both continuous and discrete time. A more surprising appeal is that our convergence analysis does not rely on isoperimetric assumptions on the target distribution. Instead, it is based on a regularity condition on the difference between kernel mean embeddings. A key highlight of the proposed flow is that it is applicable in both sampling (from an unnormalized target distribution) -- using Stein kernels -- and generative modeling settings, unlike previous works, where a gradient flow is suitable for only generative modeling or sampling but not both. The effectiveness of the proposed flow is empirically verified on a broad range of tasks in both generative modelling and sampling.

cs.LG↗

arXiv2026

Kernel Single-Index Bandits: Estimation, Inference, and Learning

We study contextual bandits with finitely many actions in which the reward of each arm follows a single-index model with an arm-specific index parameter and an unknown nonparametric link function. We consider a regime in which arms correspond to stable decision options and covariates evolve adaptively under the bandit policy. This setting creates significant statistical challenges: the sampling distribution depends on the allocation rule, observations are dependent over time, and inverse-propensity weighting induces variance inflation. We propose a kernelized $\varepsilon$-greedy algorithm that combines Stein-based estimation of the index parameters with inverse-propensity-weighted kernel ridge regression for the reward functions. This approach enables flexible semiparametric learning while retaining interpretability. Our analysis develops new tools for inference with adaptively collected data. We establish asymptotic normality for the single-index estimator under adaptive sampling, yielding valid confidence regions, and derive a directional functional central limit theorem for the RKHS estimator, which provides asymptotically valid pointwise confidence intervals. The analysis relies on concentration bounds for inverse-weighted Gram matrices together with martingale central limit theorems. We further obtain finite-time regret guarantees, including $\tilde{O}(\sqrt{T})$ rates under common-link Lipschitz conditions, showing that semiparametric structure can be exploited without sacrificing statistical efficiency. These results provide a unified framework for simultaneous learning and inference in single-index contextual bandits.

stat.ML↗

arXiv2025

(De)-regularized Maximum Mean Discrepancy Gradient Flow

We introduce a (de)-regularization of the Maximum Mean Discrepancy (DrMMD) and its Wasserstein gradient flow. Existing gradient flows that transport samples from source distribution to target distribution with only target samples, either lack tractable numerical implementation ($f$-divergence flows) or require strong assumptions, and modifications such as noise injection, to ensure convergence (Maximum Mean Discrepancy flows). In contrast, DrMMD flow can simultaneously (i) guarantee near-global convergence for a broad class of targets in both continuous and discrete time, and (ii) be implemented in closed form using only samples. The former is achieved by leveraging the connection between the DrMMD and the $χ^2$-divergence, while the latter comes by treating DrMMD as MMD with a de-regularized kernel. Our numerical scheme uses an adaptive de-regularization schedule throughout the flow to optimally trade off between discretization errors and deviations from the $χ^2$ regime. The potential application of the DrMMD flow is demonstrated across several numerical experiments, including a large-scale setting of training student/teacher networks.

stat.ML↗

arXiv2025

Minimax Optimal Kernel Two-Sample Tests with Random Features

Reproducing Kernel Hilbert Space (RKHS) embedding of probability distributions has proved to be an effective approach, via MMD (maximum mean discrepancy), for nonparametric hypothesis testing problems involving distributions defined over general (non-Euclidean) domains. While a substantial amount of work has been done on this topic, only recently have minimax optimal two-sample tests been constructed that incorporate, unlike MMD, both the mean element and a regularized version of the covariance operator. However, as with most kernel algorithms, the optimal test scales cubically in the sample size, limiting its applicability. In this paper, we propose a spectral-regularized two-sample test based on random Fourier feature (RFF) approximation and investigate the trade-offs between statistical optimality and computational efficiency. We show the proposed test to be minimax optimal if the approximation order of RFF (which depends on the smoothness of the likelihood ratio and the decay rate of the eigenvalues of the integral operator) is sufficiently large. We develop a practically implementable permutation-based version of the proposed test with a data-adaptive strategy for selecting the regularization parameter. Finally, through numerical experiments on simulated and benchmark datasets, we demonstrate that the proposed RFF-based test is computationally efficient and performs almost similarly (with a small drop in power) to the exact test.

math.ST↗

arXiv2025

Kernel $ε$-Greedy for Multi-Armed Bandits with Covariates

We consider the $ε$-greedy strategy for the multi-arm bandit with covariates (MABC) problem, where the mean reward functions are assumed to lie in a reproducing kernel Hilbert space (RKHS). We propose to estimate the unknown mean reward functions using an online weighted kernel ridge regression estimator, and show the resultant estimator to be consistent under appropriate decay rates of the exploration probability sequence, $\{ε_t\}_t$, and regularization parameter, $\{λ_t\}_t$. Moreover, we show that for any choice of kernel and the corresponding RKHS, we achieve a sub-linear regret rate depending on the intrinsic dimensionality of the RKHS. Furthermore, we achieve the optimal regret rate of $\sqrt{T}$ under a margin condition for finite-dimensional RKHS.

stat.ML↗

arXiv2025

Gradient Flows and Riemannian Structure in the Gromov-Wasserstein Geometry

The Wasserstein space of probability measures is known for its intricate Riemannian structure, which underpins the Wasserstein geometry and enables gradient flow algorithms. However, the Wasserstein geometry may not be suitable for certain tasks or data modalities. Motivated by scenarios where the global structure of the data needs to be preserved, this work initiates the study of gradient flows and Riemannian structure in the Gromov-Wasserstein (GW) geometry, which is particularly suited for such purposes. We focus on the inner product GW (IGW) distance between distributions on $\mathbb{R}^d$. Given a functional $\mathsf{F}:\mathcal{P}_2(\mathbb{R}^d)\to\mathbb{R}$ to optimize, we present an implicit IGW minimizing movement scheme that generates a sequence of distributions $\{ρ_i\}_{i=0}^n$, which are close in IGW and aligned in the 2-Wasserstein sense. Taking the time step to zero, we prove that the discrete solution converges to an IGW generalized minimizing movement (GMM) $(ρ_t)_t$ that follows the continuity equation with a velocity field $v_t\in L^2(ρ_t;\mathbb{R}^d)$, specified by a global transformation of the Wasserstein gradient of $\mathsf{F}$. The transformation is given by a mobility operator that modifies the Wasserstein gradient to encode not only local information, but also global structure. Our gradient flow analysis leads us to identify the Riemannian structure that gives rise to the intrinsic IGW geometry, using which we establish a Benamou-Brenier-like formula for IGW. We conclude with a formal derivation, akin to the Otto calculus, of the IGW gradient as the inverse mobility acting on the Wasserstein gradient. Numerical experiments validating our theory and demonstrating the global nature of IGW interpolations are provided.

math.AP↗

arXiv2025

Adversarially Robust Topological Inference

The distance function to a compact set plays a crucial role in the paradigm of topological data analysis. In particular, the sublevel sets of the distance function are used in the computation of persistent homology -- a backbone of the topological data analysis pipeline. Despite its stability to perturbations in the Hausdorff distance, persistent homology is highly sensitive to outliers. In this work, we develop a framework of statistical inference for persistent homology in the presence of outliers. Drawing inspiration from recent developments in robust statistics, we propose a \textit{median-of-means} variant of the distance function (\textsf{MoM Dist}) and establish its statistical properties. In particular, we show that, even in the presence of outliers, the sublevel filtrations and weighted filtrations induced by \textsf{MoM Dist} are both consistent estimators of the true underlying population counterpart and exhibit near minimax-optimal performance in adversarial settings. Finally, we demonstrate the advantages of the proposed methodology through simulations and applications.

math.ST↗

arXiv2025

Nyström Kernel Stein Discrepancy

Kernel methods underpin many of the most successful approaches in data science and statistics, and they allow representing probability measures as elements of a reproducing kernel Hilbert space without loss of information. Recently, the kernel Stein discrepancy (KSD), which combines Stein's method with the flexibility of kernel techniques, gained considerable attention. Through the Stein operator, KSD allows the construction of powerful goodness-of-fit tests where it is sufficient to know the target distribution up to a multiplicative constant. However, the typical U- and V-statistic-based KSD estimators suffer from a quadratic runtime complexity, which hinders their application in large-scale settings. In this work, we propose a Nyström-based KSD acceleration -- with runtime $\mathcal O\left(mn+m^3\right)$ for $n$ samples and $m\ll n$ Nyström points -- , show its $\sqrt{n}$-consistency with a classical sub-Gaussian assumption, and demonstrate its applicability for goodness-of-fit testing on a suite of benchmarks. We also show the $\sqrt n$-consistency of the quadratic-time KSD estimator.

stat.ML↗

arXiv2025

Uniform Kernel Prober

The ability to identify useful features or representations of the input data based on training data that achieves low prediction error on test data across multiple prediction tasks is considered the key to multitask learning success. In practice, however, one faces the issue of the choice of prediction tasks and the availability of test data from the chosen tasks while comparing the relative performance of different features. In this work, we develop a class of pseudometrics called Uniform Kernel Prober (UKP) for comparing features or representations learned by different statistical models such as neural networks when the downstream prediction tasks involve kernel ridge regression. The proposed pseudometric, UKP, between any two representations, provides a uniform measure of prediction error on test data corresponding to a general class of kernel ridge regression tasks for a given choice of a kernel without access to test data. Additionally, desired invariances in representations can be successfully captured by UKP only through the choice of the kernel function and the pseudometric can be efficiently estimated from $n$ input data samples with $O(\frac{1}{\sqrt{n}})$ estimation error. We also experimentally demonstrate the ability of UKP to discriminate between different types of features or representations based on their generalization performance on downstream kernel ridge regression tasks.

stat.ML↗

arXiv2025

Spectral Regularized Kernel Goodness-of-Fit Tests

Maximum mean discrepancy (MMD) has enjoyed a lot of success in many machine learning and statistical applications, including non-parametric hypothesis testing, because of its ability to handle non-Euclidean data. Recently, it has been demonstrated in Balasubramanian et al.(2021) that the goodness-of-fit test based on MMD is not minimax optimal while a Tikhonov regularized version of it is, for an appropriate choice of the regularization parameter. However, the results in Balasubramanian et al. (2021) are obtained under the restrictive assumptions of the mean element being zero, and the uniform boundedness condition on the eigenfunctions of the integral operator. Moreover, the test proposed in Balasubramanian et al. (2021) is not practical as it is not computable for many kernels. In this paper, we address these shortcomings and extend the results to general spectral regularizers that include Tikhonov regularization.

math.ST↗

arXiv2024

Optimal Rates for Functional Linear Regression with General Regularization

Functional linear regression is one of the fundamental and well-studied methods in functional data analysis. In this work, we investigate the functional linear regression model within the context of reproducing kernel Hilbert space by employing general spectral regularization to approximate the slope function with certain smoothness assumptions. We establish optimal convergence rates for estimation and prediction errors associated with the proposed method under a Hölder type source condition, which generalizes and sharpens all the known results in the literature.

math.ST↗

arXiv2024

Regularized Stein Variational Gradient Flow

The Stein Variational Gradient Descent (SVGD) algorithm is a deterministic particle method for sampling. However, a mean-field analysis reveals that the gradient flow corresponding to the SVGD algorithm (i.e., the Stein Variational Gradient Flow) only provides a constant-order approximation to the Wasserstein Gradient Flow corresponding to the KL-divergence minimization. In this work, we propose the Regularized Stein Variational Gradient Flow, which interpolates between the Stein Variational Gradient Flow and the Wasserstein Gradient Flow. We establish various theoretical properties of the Regularized Stein Variational Gradient Flow (and its time-discretization) including convergence to equilibrium, existence and uniqueness of weak solutions, and stability of the solutions. We provide preliminary numerical evidence of the improved performance offered by the regularization.

stat.ML↗

arXiv2024

Spectral Regularized Kernel Two-Sample Tests

Over the last decade, an approach that has gained a lot of popularity to tackle nonparametric testing problems on general (i.e., non-Euclidean) domains is based on the notion of reproducing kernel Hilbert space (RKHS) embedding of probability distributions. The main goal of our work is to understand the optimality of two-sample tests constructed based on this approach. First, we show the popular MMD (maximum mean discrepancy) two-sample test to be not optimal in terms of the separation boundary measured in Hellinger distance. Second, we propose a modification to the MMD test based on spectral regularization by taking into account the covariance information (which is not captured by the MMD test) and prove the proposed test to be minimax optimal with a smaller separation boundary than that achieved by the MMD test. Third, we propose an adaptive version of the above test which involves a data-driven strategy to choose the regularization parameter and show the adaptive test to be almost minimax optimal up to a logarithmic factor. Moreover, our results hold for the permutation variant of the test where the test threshold is chosen elegantly through the permutation of the samples. Through numerical experiments on synthetic and real data, we demonstrate the superior performance of the proposed test in comparison to the MMD test and other popular tests in the literature.

math.ST↗

arXiv2024

Functional linear and single-index models: A unified approach via Gaussian Stein identity

Functional linear and single-index models are core regression methods in functional data analysis and are widely used for performing regression in a wide range of applications when the covariates are random functions coupled with scalar responses. In the existing literature, however, the construction of associated estimators and the study of their theoretical properties is invariably carried out on a case-by-case basis for specific models under consideration. In this work, assuming the predictors are Gaussian processes, we provide a unified methodological and theoretical framework for estimating the index in functional linear, and its direction in single-index models. In the latter case, the proposed approach does not require the specification of the link function. In terms of methodology, we show that the reproducing kernel Hilbert space (RKHS) based functional linear least-squares estimator, when viewed through the lens of an infinite-dimensional Gaussian Stein's identity, also provides an estimator of the index of the single-index model. Theoretically, we characterize the convergence rates of the proposed estimators for both linear and single-index models. Our analysis has several key advantages: (i) it does not require restrictive commutativity assumptions for the covariance operator of the random covariates and the integral operator associated with the reproducing kernel; and (ii) the true index parameter can lie outside of the chosen RKHS, thereby allowing for index misspecification as well as for quantifying the degree of such index misspecification. Several existing results emerge as special cases of our analysis.

math.ST↗

arXiv2023

Convergence Analysis of Kernel Conjugate Gradient for Functional Linear Regression

In this paper, we discuss the convergence analysis of the conjugate gradient-based algorithm for the functional linear model in the reproducing kernel Hilbert space framework, utilizing early stopping results in regularization against over-fitting. We establish the convergence rates depending on the regularity condition of the slope function and the decay rate of the eigenvalues of the operator composition of covariance and kernel operator. Our convergence rates match the minimax rate available from the literature.

math.ST↗