We show that, up to isotropic scaling, the Gaussian RBF reproducing kernel Hilbert space (RKHS) is asymptotically isometric to Euclidean space in the large bandwidth limit. This strongly suggests that kernel-based constructions reliant on metric properties of the RKHS will yield results for Gaussian RBF kernels that similarly approach those of linear kernels for large bandwidths. The asymptotic behavior of Gaussian CKA can be understood in this light. We further consider kernel PCA, showing that Gaussian RBF eigenvalues, eigenprojections, and principal components all converge to those of classical (linear) PCA as bandwidth $σ\rightarrow \infty$. For a given data representation, both the RKHS feature embeddings and the orthogonal PCA eigenframes of the two kernel types differ asymptotically by a geometric similarity transformation, up to a residual of size $O \left (\fracρσ \right )^2$, where $ρ$ is a measure of geometric eccentricity of the representation, equal to the ratio of maximum to median pairwise distance between data examples. Experiments over a diverse collection of data sets demonstrate that $ρ$ provides a simple and reliable predictor of dataset-specific convergence behavior in the top principal directions.
Dropout and Random Gradient Masking (RaM) are two training techniques used to improve performance in deep learning. Both techniques inject randomness into the training dynamics, but in significantly different ways: dropout applies random masks to the activations in the forward pass, whereas RaM leaves the forward pass unchanged and instead masks the gradients. In particular, the noise induced by RaM in the parameter updates is unbiased, so standard explanations for the effectiveness of dropout, such as the penalization effect or the prevention of co-adaptation between neurons, do not apply to RaM. In this work, we show that the difference between the two methods disappears for ResNets in the large depth and width asymptotics: in the complete feature learning regime, they both converge to the same large-scale limiting dynamics. This asymptotic equivalence holds for several variants of dropout and RaM, including layerwise dropout as used in stochastic-depth ResNets, albeit at slower quantitative rates. In fact, we also show that several of these variants collapse to the same limit asymptotically.
For training-data-based model risk prediction, $K$-fold cross-validation~(CV) is widely used to mitigate the well-known over-optimism of the empirical risk and is often regarded as reliable. However, for binary classification via empirical risk minimization, our numerical studies reveal a surprising phenomenon: $K$-fold CV may perform poorly in estimating class-specific risks, even worse than the empirical estimator. We perform a higher-order asymptotic analysis showing that $K$-fold CV may converge at a slower rate, whereas the empirical estimator exhibits a second-order asymptotic bias that explains its over-optimism. These findings motivate a novel two-step procedure for model risk prediction, termed cross-audit projection (CAP). The cross-audit step adopts the same resampling scheme as $K$-fold CV to estimate over-optimism in subsamples, while the asymptotic-theory-informed projection step adjusts for the reduced sample size in bias correction of the empirical risk. The resulting CAP estimator is first-order asymptotically equivalent to the empirical risk while achieving second-order asymptotic unbiasedness. An accompanying inference procedure is also developed. Simulation studies support theoretical advantages of CAP and demonstrate favorable finite-sample performance. An application to breast cancer detection further illustrates the proposed method.
Distribution shift between training and deployment is a pervasive challenge for modern AI systems. In many cases, the target marginals of covariates and response are known or specified through population-level observations, boundary conditions, properties of simulator configurations, or alignment-time distributional constraints. Such knowledge may provide valuable side information for regression estimation. We study this problem in the multivariate linear regression setting with a stable conditional mean $E[Y\mid X]$ across source and target, and identify the hybrid-loss estimator, which jointly incorporates both target marginals, as a benchmark target-aware estimator. Its direct computation, however, requires solving a coupled nonlinear optimization that is expensive at scale. Our main contribution is to develop and evaluate two computationally tractable alternatives: a constrained moment-matching estimator and a two-stage estimator that augments ordinary least squares with a calibration step. For all three estimators, we derive and compare closed-form asymptotic mean squared errors, yielding conditions under which the tractable alternatives match or closely approximate the hybrid benchmark, and regimes in which they do not. Monte Carlo experiments across three controlled shift regimes validate the theoretical results, investigate the accuracy-runtime tradeoffs among the three estimators, and translate into guidance on estimator choice. In particular, the two-stage estimator nearly matches the hybrid benchmark in the high signal-to-noise regime at essentially no additional cost, providing theoretical grounding for empirical observations in nonlinear settings.
In the era of big data, subsampling became a common practice in statistical learning. By selecting a subgroup of individuals based on which the learner is trained, subsampling aims at reducing the computational cost and time of the estimation step, and ideally leads to a decrease of its energy consumption and carbon footprint. This work focuses on a nonparametric setting, in which the hypotheses set lies in a reproducing kernel Hilbert space, and the estimator is a minimizer of an empirical risk reweighted à la Horvitz-Thompson. By studying the asymptotic properties of this estimator, we reveal an optimal subsampling scheme (regarding the trace of the covariance operator) and show that it can be used via plug-in. A numerical study on synthetic and real-world datasets shows the practicability and the benefit of the proposed approach.