Inthiswork,weconsider thescenario where agent limitations may entirely preclude identifying an exactly value-equivalent model, immediately giving rise to a trade-off between identifying a model that is simple enough to learn while only incurring bounded sub-optimality.

Comparison of statistical distances can also enable distribution testing, quantification of distribution shifts, and provide methods to correct for distribution shift through domainadaptation[12]. Optimal transport theory provides a rich set of tools for comparing distributions inWasserstein Distance.

Bayesian Optimal Experimental Design (BOED) provides a rigorous framework for decision-making tasks in which data acquisition is often the critical bottleneck, especially in resource-constrained settings. Traditionally, BOED typically selects designs by maximizing expected information gain (EIG), commonly defined through the Kullback-Leibler (KL) divergence. However, classical evaluation of EIG often involves challenging nested expectations, and even advanced variational methods leave the underlying log-density-ratio objective unchanged. As a result, support mismatch, tail underestimation, and rare-event sensitivity remain intrinsic concerns for KL-based BOED. To address these fundamental bottlenecks, we introduce an IPM-based BOED framework that replaces density-based divergences with integral probability metrics (IPMs), including the Wasserstein distance, Maximum Mean Discrepancy, and Energy Distance, resulting in a highly flexible plug-and-play BOED framework. We establish theoretical guarantees showing that IPM-based utilities provide stronger geometry-aware stability under surrogate-model error and prior misspecification than classical EIG-based utilities. We also validate the proposed framework empirically, demonstrating that IPM-based designs yield highly concentrated credible sets. Furthermore, by extending the same sample-based BOED template in a plug-and-play manner to geometry-aware discrepancies beyond the IPM class, illustrated by a neural optimal transport estimator, we achieve accurate optimal designs in high-dimensional settings where conventional nested Monte Carlo estimators and advanced variational methods fail.

Given only observational data $X = g(Z)$, where both the latent variables $Z$ and the generating process $g$ are unknown, recovering $Z$ is ill-posed without additional assumptions. Existing methods often assume linearity or rely on auxiliary supervision and functional constraints. However, such assumptions are rarely verifiable in practice, and most theoretical guarantees break down under even mild violations, leaving uncertainty about how to reliably understand the hidden world. To make identifiability actionable in the real-world scenarios, we take a complementary view: in the general settings where full identifiability is unattainable, what can still be recovered with guarantees, and what biases could be universally adopted? We introduce the problem of diverse dictionary learning to formalize this view. Specifically, we show that intersections, complements, and symmetric differences of latent variables linked to arbitrary observations, along with the latent-to-observed dependency structure, are still identifiable up to appropriate indeterminacies even without strong assumptions. These set-theoretic results can be composed using set algebra to construct structured and essential views of the hidden world, such as genus-differentia definitions. When sufficient structural diversity is present, they further imply full identifiability of all latent variables. Notably, all identifiability benefits follow from a simple inductive bias during estimation that can be readily integrated into most models. We validate the theory and demonstrate the benefits of the bias on both synthetic and real-world data.

In this work, we revisit the problem of active sequential prediction-powered mean estimation, where at each round one must decide the query probability of the ground-truth label upon observing the covariates of a sample. Furthermore, if the label is not queried, the prediction from a machine learning model is used instead. Prior work proposed an elegant scheme that determines the query probability by combining an uncertainty-based suggestion with a constant probability that encodes a soft constraint on the query probability. We explored different values of the mixing parameter and observed an intriguing empirical pattern: the smallest confidence width tends to occur when the weight on the constant probability is close to one, thereby reducing the influence of the uncertainty-based component. Motivated by this observation, we develop a non-asymptotic analysis of the estimator and establish a data-dependent bound on its confidence interval. Our analysis further suggests that when a no-regret learning approach is used to determine the query probability and control this bound, the query probability converges to the constraint of the max value of the query probability when it is chosen obliviously to the current covariates. We also conduct simulations that corroborate these theoretical findings.

In finite-width deep neural networks, the empirical kernel $G$ evolves stochastically across layers. We develop a collective kernel effective field theory (EFT) for pre-activation ResNets based on a $G$-only closure hierarchy and diagnose its finite validity window. Exploiting the exact conditional Gaussianity of residual increments, we derive an exact stochastic recursion for $G$. Applying Gaussian approximations systematically yields a continuous-depth ODE system for the mean kernel $K_0$, the kernel covariance $V_4$, and the $1/n$ mean correction $K_{1,\mathrm{EFT}}$, which emerges diagrammatically as a one-loop tadpole correction. Numerically, $K_0$ remains accurate at all depths. However, the $V_4$ equation residual accumulates to an $O(1)$ error at finite time, primarily driven by approximation errors in the $G$-only transport term. Furthermore, $K_{1,\mathrm{EFT}}$ fails due to the breakdown of the source closure, which exhibits a systematic mismatch even at initialization. These findings highlight the limitations of $G$-only state-space reduction and suggest extending the state space to incorporate the sigma-kernel.

Antibody lead optimization is inherently a multi-objective challenge in drug discovery. Achieving a balance between different drug-like properties is crucial for the development of viable candidates, and this search becomes exponentially challenging as desired properties grow. The ever-growing zoo of sophisticated in silico tools for predicting antibody properties calls for an efficient joint optimization procedure to overcome resource-intensive sequential filtering pipelines. We present BOAT, a versatile Bayesian optimization framework for multi-property antibody engineering. Our `plug-and-play' framework couples uncertainty-aware surrogate modeling with a genetic algorithm to jointly optimize various predicted antibody traits while enabling efficient exploration of sequence space. Through systematic benchmarking against genetic algorithms and newer generative learning approaches, we demonstrate competitive performance with state-of-the-art methods for multi-objective protein optimization. We identify clear regimes where surrogate-driven optimization outperforms expensive generative approaches and establish practical limits imposed by sequence dimensionality and oracle costs.

We study learning to learn for regression problems through the lens of hyperparameter tuning. We propose the Langevin Gradient Descent Algorithm (LGD), which approximates the mean of the posterior distribution defined by the loss function and regularizer of a convex regression task. We prove the existence of an optimal hyperparameter configuration for which the LGD algorithm achieves the Bayes' optimal solution for squared loss. Subsequently, we study generalization guarantees on meta-learning optimal hyperparameters for the LGD algorithm from a given set of tasks in the data-driven setting. For a number of parameters $d$ and hyperparameter dimension $h$, we show a pseudo-dimension bound of $O(dh)$, upto logarithmic terms under mild assumptions on LGD. This matches the dimensional dependence of the bounds obtained in prior work for the elastic net, which only allows for $h=2$ hyperparameters, and extends their bounds to regression on convex loss. Finally, we show empirical evidence of the success of LGD and the meta-learning procedure for few-shot learning on linear regression using a few synthetically created datasets.

The deployment of deep neural networks in safety-critical systems necessitates reliable and efficient uncertainty quantification (UQ). A practical and widespread strategy for UQ is repurposing stochastic regularizers as scalable approximate Bayesian inference methods, such as Monte Carlo Dropout (MCD) and MC-DropBlock (MCDB). However, this paradigm remains under-explored for Stochastic Depth (SD), a regularizer integral to the residual-based backbones of most modern architectures. While prior work demonstrated its empirical promise for segmentation, a formal theoretical connection to Bayesian variational inference and a benchmark on complex, multi-task problems like object detection are missing. In this paper, we first provide theoretical insights connecting Monte Carlo Stochastic Depth (MCSD) to principled approximate variational inference. We then present the first comprehensive empirical benchmark of MCSD against MCD and MCDB on state-of-the-art detectors (YOLO, RT-DETR) using the COCO and COCO-O datasets. Our results position MCSD as a robust and computationally efficient method that achieves highly competitive predictive accuracy (mAP), notably yielding slight improvements in calibration (ECE) and uncertainty ranking (AUARC) compared to MCD. We thus establish MCSD as a theoretically-grounded and empirically-validated tool for efficient Bayesian approximation in modern deep learning.

Density ratio estimation (DRE) is a useful tool for quantifying discrepancies between probability distributions, but existing approaches often involve a trade-off between estimation quality and computational efficiency. Classical direct DRE methods are usually efficient at inference time, yet their performance can seriously deteriorate when the discrepancy between distributions is large. In contrast, score-based DRE methods often yield more accurate estimates in such settings, but they typically require considerable repeated function evaluations and numerical integration. We propose One-step Score-based Density Ratio Estimation (OS-DRE), a partly analytic and solver-free framework designed to combine these complementary advantages. OS-DRE decomposes the time score into spatial and temporal components, representing the latter with an analytic radial basis function (RBF) frame. This formulation converts the otherwise intractable temporal integral into a closed-form weighted sum, thereby removing the need for numerical solvers and enabling DRE with only one function evaluation. We further analyze approximation conditions for the analytic frame, and establish approximation error bounds for both finitely and infinitely smooth temporal kernels, grounding the framework in existing approximation theory. Experiments across density estimation, continual Kullback-Leibler and mutual information estimation, and near out-of-distribution detection demonstrate that OS-DRE offers a favorable balance between estimation quality and inference efficiency.