XMSE-Aware Adaptive Empirical Bayes Estimation

We develop a comprehensive theory for regularized M-estimation in reproducing kernel Hilbert spaces. Under mild conditions on the loss we establish existence and measurability of the estimator, covering a wide range of convex and non-convex losses, including bounded robust losses. We further prove sharp rates of convergence with an explicit bias-variance decomposition governed by a novel complexity measure. We show that the variance is independent of misspecification, while the bias depends on a source condition parameter known in the learning literature. For tensor product Sobolev spaces we obtain new rates that connect to spaces of functions with dominating mixed smoothness, substantially extending existing results and explaining why these estimators circumvent the curse of dimensionality. Our methodology, combining elements from both functional analysis and empirical process theory, allows for an asymptotic linearisation of the objective function that avoids both closed-form solutions and global Lipschitz assumptions, and may be of independent interest. The estimators are implemented in C++ and theory is supported by numerical experiments.

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.

The aggregation with exponential weights (AEW) estimator is not fully understood in the basic setting of model selection aggregation with squared loss. In particular, whether it is minimax-rate optimal in expectation for large enough fixed temperatures and under random design has been an open problem since its introduction, which was explicitly posed by Lecué and Mendelson (2013). In this paper, we settle this problem by showing that \emph{without} requiring a Bernstein-type assumption, the AEW indeed achieves the excess risk $T \log (M) / (n+1)$ in expectation, whenever the temperature $T$ satisfies $(L^2/T)\exp(B/T)\leq μ/2$. Here, the number of dictionary elements is $M$, the estimator has observed $n$ i.i.d. samples from any distribution, and the loss is assumed to be bounded by $B$, $L$-Lipschitz continuous and $μ$-strongly convex. For squared loss, we show that $T\geq 4 b^2$ suffices when the predictions and labels are $[0,b]$-valued. Because AEW is known to be suboptimal in expectation for temperatures below some constant, this shows that AEW has a sharp phase transition when the temperature is large enough but constant, as conjectured by Lecué and Mendelson.