High-fidelity simulation models are widely used to analyze complex stochastic systems, but their high computational cost motivates the development of cheaper surrogate models that approximate the simulation model's input-output relationship. In parallel, reinforcement learning (RL) has emerged as a powerful framework for making online decisions in stochastic environments, with increasing attention being given to the use of simulation models as training environments for RL models. We investigate a class of surrogate models suitable for accelerating RL training in settings where the reward structure, model parameters, or system dynamics change over time and explore their interactions with simulation models and RL models. Through numerical experiments on a stochastic service system modeled via discrete-event simulation, we demonstrate that leveraging surrogate models can substantially accelerate RL training and re-training.

The use of residential photovoltaics has increased dramatically in recent years. With battery systems becoming more affordable, the optimal operation of a photovoltaic-battery system can bring significant savings to households. Optimal control requires correct forecasts of underlying parameters, such as photovoltaic power generation, to schedule the battery. While forecasting models have become increasingly accurate due to algorithmic advances and data availability, accuracy is typically measured in generic metrics which might not align with the downstream application. This study proposes a decision-focused learning framework that integrates optimization and prediction by training a Long Short-Term Memory photovoltaic energy forecaster on the downstream optimal scheduling of a battery system. The proposed methodology is compared against a standard two-phase approach. Across a 14-month evaluation period, the decision-focused method reduced average electricity costs across twenty buildings by 3.6% when normalized against performance bounds defined by a perfect forecast and a baseline of no optimization. Critically, this financial improvement was achieved despite the model exhibiting a root mean squared error of 19.9%, significantly higher than the decoupled model's 8.2%. Warm-starting the decision-focused model further improves results, lowering average cost by approximately 8%, while also mitigating the negative impact on statistical accuracy (root mean squared error of 13.7%). The findings are statistically significant at the 0.001 level across the twenty households and for each household individually. These results demonstrate that aligning forecast models with optimization goals is key for achieving cost advantages in PV-battery systems. Future research should replicate these findings on other datasets, alternate forecasting models and alternate optimization algorithms.

Prior-data fitted networks (PFNs) have recently emerged as a powerful approach for Bayesian prediction tasks, approximating the posterior predictive distribution (PPD) through in-context learning. Despite their strong empirical performance and ability to go beyond point predictions, theoretical understandings of the algorithmic capability of transformers to learn distributions in context are still lacking. Focusing on Gaussian process regression problems, we show by construction that transformers can implement a gradient descent algorithm targeting the posterior predictive mean and variance, followed by nonlinear mappings that yield binned probabilities of PPD. We study the error bounds of the approximated PPD in terms of attention depth and bin resolution. Based on these results, we further demonstrate the key role of normalization and the choice of attention depth in enabling the extrapolation abilities of transformers beyond the pretraining sample size range. We conduct simulations that corroborate our findings, providing insight into the expressivity of PFNs targeting PPDs and how architectural choices may influence generalization capabilities.

Gaussian Process (GP) models are widely used as probabilistic models for nonlinear functions because they combine flexible function modelling with uncertainty quantification (Rasmussen and Williams, 2006; Williams, 1998; MacKay, 1992; Neal, 1995). Their predictive performance depends heavily on how kernel hyperparameters are learnt (Sundararajan and Keerthi, 2001). This becomes especially important in higher-dimensional multivariate settings, where many input-specific hyperparameters may be present and where only some inputs may contribute meaningful predictive structure (MacKay, 1992; Neal, 1995; Rasmussen and Williams, 2006; Linkletter et al., 2006; Paananen et al., 2019). In standard Bayesian formulations of GP learning, prior specification is usually imposed directly on kernel hyperparameters such as lengthscales, amplitude parameters, and noise terms (Rasmussen and Williams, 2006; Williams, 1998). This is natural from a modelling point of view, but it does not always give useful control over the covariance structure that those hyperparameters induce over the observed design points (Barnard et al., 2000; Gelman, 2006; Daniels and Kass, 1999; Huang and Wand, 2013). However, it is this induced covariance matrix that directly governs likelihood evaluation, numerical stability, and predictive behaviour (Rasmussen and Williams, 2006; Stein, 1999). 1

Deploying clinical prediction models across healthcare systems often fails when key training covariates are unavailable at deployment and labeled outcomes are limited in the target domain. For example, high-performing models for out-of-hospital cardiac arrest (OHCA) rely on detailed prehospital measurements routinely collected in high-resource settings but unavailable in many international registries. Existing methods either discard missing covariates, sacrificing predictive information, or rely on untestable assumptions about their target distribution. We propose DRUM (\underline{D}istributionally \underline{R}obust \underline{U}nsupervised transfer learning with structurally \underline{M}issing covariates), a framework that transfers prediction models to target populations where certain covariates are structurally absent and outcome labels are unavailable. DRUM partitions covariates into shared components ($X$), observed across all settings, and missing components ($A$), observed only in the source. Rather than imputing missing covariates, DRUM optimizes worst-case predictive performance over the unknown target distribution of $A \mid X$ using a neural network generator, with a robustness parameter controlling allowable deviation from the source conditional. We further develop a bias correction procedure that reduces sensitivity to nuisance estimation error. Simulations show substantial improvements in both mean and worst-case prediction error under distribution shift. Applied to cross-national OHCA prediction, transferring models from a US registry to multiple Asian registries where prehospital variables are unrecorded, DRUM yields better-calibrated predictions and improved clinical classification performance across sites.

Multicalibration extends classical calibration by requiring predictions to be unbiased over a rich collection of functions, encompassing both prediction slices and subpopulations. It has emerged as a powerful framework for fairness, robustness, and reliable prediction, yet the theoretical understanding of multicalibration boosting (MCBoost) remains fragmented and often relies on restrictive assumptions. In this work, we develop a unified and refined perspective on MCBoost that subsumes existing variants, including multiaccuracy, BatchGCP, and BatchMVP. We uncover several phenomena that provide new insights into its practical behavior: even highly accurate and flexible predictors can remain substantially miscalibrated; enforcing multicalibration introduces a calibration-risk trade-off; and early stopping plays a central role in controlling this trade-off. On the theoretical side, we establish a general framework for MCBoost under weaker and more realistic conditions. We show that the boosting iterates converge to a Bregman projection of the population-optimal predictor onto the cumulative span generated by the audit class, thereby explicitly characterizing the function space on which multicalibration is achieved. We further derive convergence rates under different smoothness assumptions, finite-sample guarantees, and principled stopping rules that ensure multicalibration at termination. Finally, we extend the theory of universal adaptability under covariate shift, providing more general transfer guarantees and clarifying when multicalibrated predictors generalize across domains. These results provide a more complete theoretical foundation and practical guidance for multicalibration boosting, positioning it as both a unifying framework and a reliable post-processing approach for modern predictive models.

Bayesian optimal experimental design (BOED) selects experiments to maximize information gain about model parameters. However, in decision-critical settings, reducing parameter uncertainty does not necessarily improve downstream decisions, as only specific parameter directions relevant to the objective truly matter. We propose GoBOED, a goal-driven BOED framework that directly optimizes experimental designs for a specified decision-making objective. GoBOED combines an amortized variational posterior surrogate with a differentiable convex decision layer, enabling gradient-based design optimization that is fully decision-focused. We theoretically show that GoBOED gradients are insensitive to parameter directions irrelevant to the decision objective, providing a formal justification for why goal-driven design achieves equivalent decision quality over a wider set of experimental designs than information-gain maximization. Empirically, across source localization, epidemic management, and pharmacokinetic control, GoBOED identifies designs that better align with downstream decision objectives and reveals that near-optimal design windows are substantially wider than those predicted by goal-agnostic BOED approaches.

This paper addresses the challenge of reconstructing full-field structural mode shapes from sparse sensor data. While Gaussian Process Regression (GPR) offers a robust non-parametric framework for spatial interpolation and uncertainty quantification, standard formulations often yield physically inconsistent mode-shape reconstructions under sparse sensing conditions. A Physics-Constrained Single-Output Gaussian Process (CONS-SOGP) framework is derived that utilizes independent modal kernels while coupling the optimization via a mass-orthogonality penalty. The paper presents derivations for the marginal likelihood, hyperparameter gradients, and penalty coupling. Numerical verification on a multi-degree-of-freedom structure demonstrates that the proposed method overcomes existing limitations in GP-based prediction, providing more accurate and reliable expanded mode shapes.

Neural processes amortize Gaussian process inference, replacing the exact $O(n^3)$ posterior with a learned $O(n)$ map from context sets to predictive distributions. For a class of latent neural processes, we bound the Kullback--Leibler (KL) divergence between the GP and LNP predictives, decomposing it into three interpretable sources, namely label contamination as the neural process uses label values to estimate a quantity that is label-independent in the exact GP, an information bottleneck because the finite-dimensional representation cannot resolve the full context geometry, and amortization error from a single encoder network shared across all contexts. The bottleneck truncation term decays in the representation dimension $d$ as $O(e^{-cd^{2/d_x}})$ for squared-exponential kernels on $\mathbb{R}^{d_x}$ where $c > 0$ is a kernel-dependent constant and as $O(d^{-2ν/d_x})$ for Matérn-$ν$ kernels, directly linking architecture sizing to kernel smoothness and input dimension. The label contamination term is $O(1)$ in general, with only the observation-noise component decaying as $O(1/n)$, identifying a persistent cost of routing uncertainty estimation through a label-dependent representation. These results characterize the costs of amortization within the analyzed class and yield architectural recommendations to predict variance from context locations alone in the GP-amortization regime, and replace mean aggregation with second-order pooling to close the dominant amortization gap.

We investigate the asymptotic properties of the Lévy Adaptive B-spline (LABS) regression model, a Bayesian nonparametric method that incorporates B-spline kernels into the Lévy Adaptive Regression Kernel (LARK) model. LABS applies splines of varying degrees with independently defined knots, yielding a flexible model class capable of adapting to irregular and locally structured features of the true function. Within the nonparametric regression framework with univariate random design and Gaussian errors, we establish that the LABS posterior contracts around the true function in Besov classes at nearly minimax-optimal rates, up to a logarithmic factor, while adapting automatically to unknown smoothness. This study contributes to filling a gap in the literature, where theoretical results on posterior contraction of the LARK model in Besov spaces remain scarce. Simulation experiments on standard test functions in Besov spaces, including Blocks, Bumps, HeaviSine, and Doppler, complement the theoretical results and demonstrate the practical utility of LABS.