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 covariance operator


Gaussian Processes with Sample Paths in Reproducing Kernel Banach Spaces

arXiv.org Machine Learning

We investigate the connection between Gaussian processes and Gaussian random elements in reproducing kernel Banach spaces. We show that the covariance operator of a weak second-order Radon probability measure on such a space is uniquely determined by a positive definite function. In the Gaussian case, we characterize those positive definite functions that arise from covariance operators in terms of $γ$-radonifying operators. Building on these results, we extend the classical Driscoll theorem to the Banach space setting.



Zeroth-Order Optimization at the Edge of Stability

arXiv.org Machine Learning

Zeroth-order (ZO) methods are widely used when gradients are unavailable or prohibitively expensive, including black-box learning and memory-efficient fine-tuning of large models, yet their optimization dynamics in deep learning remain underexplored. In this work, we provide an explicit step size condition that exactly captures the (mean-square) linear stability of a family of ZO methods based on the standard two-point estimator. Our characterization reveals a sharp contrast with first-order (FO) methods: whereas FO stability is governed solely by the largest Hessian eigenvalue, mean-square stability of ZO methods depends on the entire Hessian spectrum. Since computing the full Hessian spectrum is infeasible in practical neural network training, we further derive tractable stability bounds that depend only on the largest eigenvalue and the Hessian trace. Empirically, we find that full-batch ZO methods operate at the edge of stability: ZO-GD, ZO-GDM, and ZO-Adam consistently stabilize near the predicted stability boundary across a range of deep learning training problems. Our results highlight an implicit regularization effect specific to ZO methods, where large step sizes primarily regularize the Hessian trace, whereas in FO methods they regularize the top eigenvalue.




PCA of probability measures: Sparse and Dense sampling regimes

arXiv.org Machine Learning

A common approach to perform PCA on probability measures is to embed them into a Hilbert space where standard functional PCA techniques apply. While convergence rates for estimating the embedding of a single measure from $m$ samples are well understood, the literature has not addressed the setting involving multiple measures. In this paper, we study PCA in a double asymptotic regime where $n$ probability measures are observed, each through $m$ samples. We derive convergence rates of the form $n^{-1/2} + m^{-α}$ for the empirical covariance operator and the PCA excess risk, where $α>0$ depends on the chosen embedding. This characterizes the relationship between the number $n$ of measures and the number $m$ of samples per measure, revealing a sparse (small $m$) to dense (large $m$) transition in the convergence behavior. Moreover, we prove that the dense-regime rate is minimax optimal for the empirical covariance error. Our numerical experiments validate these theoretical rates and demonstrate that appropriate subsampling preserves PCA accuracy while reducing computational cost.


Statistical and Geometrical properties of the Kernel Kullback-Leibler divergence

Neural Information Processing Systems

In this paper, we study the statistical and geometrical properties of the Kullback-Leibler divergence with kernel covariance operators (KKL) introduced by [Bach, 2022, Information Theory with Kernel Methods]. Unlike the classical Kullback-Leibler (KL) divergence that involves density ratios, the KKL compares probability distributions through covariance operators (embeddings) in a reproducible kernel Hilbert space (RKHS), and compute the Kullback-Leibler quantum divergence. This novel divergence hence shares parallel but different aspects with both the standard Kullback-Leibler between probability distributions and kernel embeddings metrics such as the maximum mean discrepancy. A limitation faced with the original KKL divergence is its inability to be defined for distributions with disjoint supports. To solve this problem, we propose in this paper a regularised variant that guarantees that divergence is well defined for all distributions. We derive bounds that quantify the deviation of the regularised KKL to the original one, as well as concentration bounds. In addition, we provide a closed-form expression for the regularised KKL, specifically applicable when the distributions consist of finite sets of points, which makes it implementable. Furthermore, we derive a Wasserstein gradient descent scheme of the KKL divergence in the case of discrete distributions, and study empirically its properties to transport a set of points to a target distribution.


Random Gradient-Free Optimization in Infinite Dimensional Spaces

arXiv.org Machine Learning

In this paper, we propose a random gradient-free method for optimization in infinite dimensional Hilbert spaces, applicable to functional optimization in diverse settings. Though such problems are often solved through finite-dimensional gradient descent over a parametrization of the functions, such as neural networks, an interesting alternative is to instead perform gradient descent directly in the function space by leveraging its Hilbert space structure, thus enabling provable guarantees and fast convergence. However, infinite-dimensional gradients are often hard to compute in practice, hindering the applicability of such methods. To overcome this limitation, our framework requires only the computation of directional derivatives and a pre-basis for the Hilbert space domain, i.e., a linearly-independent set whose span is dense in the Hilbert space. This fully resolves the tractability issue, as pre-bases are much more easily obtained than full orthonormal bases or reproducing kernels -- which may not even exist -- and individual directional derivatives can be easily computed using forward-mode scalar automatic differentiation. We showcase the use of our method to solve partial differential equations à la physics informed neural networks (PINNs), where it effectively enables provable convergence.


Toward Scalable and Valid Conditional Independence Testing with Spectral Representations

arXiv.org Machine Learning

Conditional independence (CI) is central to causal inference, feature selection, and graphical modeling, yet it is untestable in many settings without additional assumptions. Existing CI tests often rely on restrictive structural conditions, limiting their validity on real-world data. Kernel methods using the partial covariance operator offer a more principled approach but suffer from limited adaptivity, slow convergence, and poor scalability. In this work, we explore whether representation learning can help address these limitations. Specifically, we focus on representations derived from the singular value decomposition of the partial covariance operator and use them to construct a simple test statistic, reminiscent of the Hilbert-Schmidt Independence Criterion (HSIC). We also introduce a practical bi-level contrastive algorithm to learn these representations. Our theory links representation learning error to test performance and establishes asymptotic validity and power guarantees. Preliminary experiments suggest that this approach offers a practical and statistically grounded path toward scalable CI testing, bridging kernel-based theory with modern representation learning.