Out-of-distribution (OoD) generalization occurs when representation learning encounters a distribution shift. This occurs frequently in practice when training and testing data come from different environments. Covariate shift is a type of distribution shift that occurs only in the input data, while the concept distribution stays invariant. We propose RIA - Regularization for Invariance with Adversarial training, a new method for OoD generalization under convariate shift. Motivated by an analogy to $Q$-learning, it performs an adversarial exploration for counterfactual data environments. These new environments are induced by adversarial label invariant data augmentations that prevent a collapse to an in-distribution trained learner. It works with many existing OoD generalization methods for covariate shift that can be formulated as constrained optimization problems. We develop an alternating gradient descent-ascent algorithm to solve the problem in the context of causally generated graph data, and perform extensive experiments on OoD graph classification for various kinds of synthetic and natural distribution shifts. We demonstrate that our method can achieve high accuracy compared with OoD baselines.

Conformal prediction provides distribution-free prediction intervals with finite-sample coverage guarantees, and recent work by Snell \& Griffiths reframes it as Bayesian Quadrature (BQ-CP), yielding powerful data-conditional guarantees via Dirichlet posteriors over thresholds. However, BQ-CP fundamentally requires the i.i.d. assumption -- a limitation the authors themselves identify. Meanwhile, weighted conformal prediction handles distribution shift via importance weights but remains frequentist, producing only point-estimate thresholds. We propose \textbf{Weighted Bayesian Conformal Prediction (WBCP)}, which generalizes BQ-CP to arbitrary importance-weighted settings by replacing the uniform Dirichlet $\Dir(1,\ldots,1)$ with a weighted Dirichlet $\Dir(\neff \cdot \tilde{w}_1, \ldots, \neff \cdot \tilde{w}_n)$, where $\neff$ is Kish's effective sample size. We prove four theoretical results: (1)~$\neff$ is the unique concentration parameter matching frequentist and Bayesian variances; (2)~posterior standard deviation decays as $O(1/\sqrt{\neff})$; (3)~BQ-CP's stochastic dominance guarantee extends to per-weight-profile data-conditional guarantees; (4)~the HPD threshold provides $O(1/\sqrt{\neff})$ improvement in conditional coverage. We instantiate WBCP for spatial prediction as \emph{Geographical BQ-CP}, where kernel-based spatial weights yield per-location posteriors with interpretable diagnostics. Experiments on synthetic and real-world spatial datasets demonstrate that WBCP maintains coverage guarantees while providing substantially richer uncertainty information.

Data-driven decision making frequently relies on predicting counterfactual outcomes. In practice, researchers commonly train counterfactual prediction models on a source dataset to inform decisions on a possibly separate target population. Conformal prediction has arisen as a popular method for producing assumption-lean prediction intervals for counterfactual outcomes that would arise under different treatment decisions in the target population of interest. However, existing methods require that every confounding factor of the treatment-outcome relationship used for training on the source data is additionally measured in the target population, risking miscoverage if important confounders are unmeasured in the target population. In this paper, we introduce a computationally efficient debiased machine learning framework that allows for valid prediction intervals when only a subset of confounders is measured in the target population, a common challenge referred to as runtime confounding. Grounded in semiparametric efficiency theory, we show the resulting prediction intervals achieve desired coverage rates with faster convergence compared to standard methods. Through numerous synthetic and semi-synthetic experiments, we demonstrate the utility of our proposed method.

In many modern applications, a carefully designed primary study provides individual-level data for interpretable modeling, while summary-level external information is available through black-box, efficient, and nonparametric machine-learning predictions. Although summary-level external information has been studied in the data integration literature, there is limited methodology for leveraging external nonparametric machine-learning predictions to improve statistical inference in the primary study. We propose a general empirical-likelihood framework that incorporates external predictions through moment constraints. An advantage of nonparametric machine-learning prediction is that it induces a rich class of valid moment restrictions that remain robust to covariate shift under a mild overlap condition without requiring explicit density-ratio modeling. We focus on multinomial logistic regression as the primary model and address common data-quality issues in external sources, including coarsened outcomes, partially observed covariates, covariate shift, and heterogeneity in generating mechanisms known as concept shift. We establish large-sample properties of the resulting fused estimator, including consistency and asymptotic normality under regularity conditions. Moreover, we provide mild sufficient conditions under which incorporating external predictions delivers a strict efficiency gain relative to the primary-only estimator. Simulation studies and an application to the National Health and Nutrition Examination Survey on multiclass blood-pressure classification.

This paper focuses on the problem of unbounded density ratio estimation -- an understudied yet critical challenge in statistical learning -- and its application to covariate shift adaptation. Much of the existing literature assumes that the density ratio is either uniformly bounded or unbounded but known exactly. These conditions are often violated in practice, creating a gap between theoretical guarantees and real-world applicability. In contrast, this work directly addresses unbounded density ratios and integrates them into importance weighting for effective covariate shift adaptation. We propose a three-step estimation method that leverages unlabeled data from both the source and target distributions: (1) estimating a relative density ratio; (2) applying a truncation operation to control its unboundedness; and (3) transforming the truncated estimate back into the standard density ratio. The estimated density ratio is then employed as importance weights for regression under covariate shift. We establish rigorous, non-asymptotic convergence guarantees for both the proposed density ratio estimator and the resulting regression function estimator, demonstrating optimal or near-optimal convergence rates. Our findings offer new theoretical insights into density ratio estimation and learning under covariate shift, extending classical learning theory to more practical and challenging scenarios.

In deploying artificial intelligence (AI) models, selective prediction offers the option to abstain from making a prediction when uncertain about model quality. To fulfill its promise, it is crucial to enforce strict and precise error control over cases where the model is trusted. We propose Selective Conformal Risk control with E-values (SCoRE), a new framework for deriving such decisions for any trained model and any user-defined, bounded and continuously-valued risk. SCoRE offers two types of guarantees on the risk among ``positive'' cases in which the system opts to trust the model. Built upon conformal inference and hypothesis testing ideas, SCoRE first constructs a class of (generalized) e-values, which are non-negative random variables whose product with the unknown risk has expectation no greater than one. Such a property is ensured by data exchangeability without requiring any modeling assumptions. Passing these e-values on to hypothesis testing procedures, we yield the binary trust decisions with finite-sample error control. SCoRE avoids the need of uniform concentration, and can be readily extended to settings with distribution shifts. We evaluate the proposed methods with simulations and demonstrate their efficacy through applications to error management in drug discovery, health risk prediction, and large language models.

We study statistical estimation in a student--teacher setting, where predictions from a pre-trained teacher are used to guide a student model. A standard approach is to train the student to directly match the teacher's outputs, which we refer to as student soft matching (SM). This approach directly propagates any systematic bias or mis-specification present in the teacher, thereby degrading the student's predictions. We propose and analyze an alternative scheme, known as residual-as-teacher (RaT), in which the teacher is used to estimate residuals in the student's predictions. Our analysis shows how the student can thereby emulate a proximal gradient scheme for solving an oracle optimization problem, and this provably reduces the effect of teacher bias. For general student--teacher pairs, we establish non-asymptotic excess risk bounds for any RaT fixed point, along with convergence guarantees for the student-teacher iterative scheme. For kernel-based student--teacher pairs, we prove a sharp separation: the RaT method achieves the minimax-optimal rate, while the SM method incurs constant prediction error for any sample size. Experiments on both synthetic data and ImageNette classification under covariate shift corroborate our theoretical findings.

Standard conformal anomaly detection provides marginal finite-sample guarantees under the assumption of exchangeability . However, real-world data often exhibit distribution shifts, necessitating a weighted conformal approach to adapt to local non-stationarity. We show that this adaptation induces a critical trade-off between the minimum attainable p-value and its stability. As importance weights localize to relevant calibration instances, the effective sample size decreases. This can render standard conformal p-values overly conservative for effective error control, while the smoothing technique used to mitigate this issue introduces conditional variance, potentially masking anomalies. We propose a continuous inference relaxation that resolves this dilemma by decoupling local adaptation from tail resolution via continuous weighted kernel density estimation. While relaxing finite-sample exactness to asymptotic validity, our method eliminates Monte Carlo variability and recovers the statistical power lost to discretization. Empirical evaluations confirm that our approach not only restores detection capabilities where discrete baselines yield zero discoveries, but outperforms standard methods in statistical power while maintaining valid marginal error control in practice.

We propose a principled framework for unsupervised domain adaptation under covariate shift in kernel Generalized Linear Models (GLMs), encompassing kernelized linear, logistic, and Poisson regression with ridge regularization. Our goal is to minimize prediction error in the target domain by leveraging labeled source data and unlabeled target data, despite differences in covariate distributions. We partition the labeled source data into two batches: one for training a family of candidate models, and the other for building an imputation model. This imputation model generates pseudo-labels for the target data, enabling robust model selection. We establish non-asymptotic excess-risk bounds that characterize adaptation performance through an "effective labeled sample size", explicitly accounting for the unknown covariate shift. Experiments on synthetic and real datasets demonstrate consistent performance gains over source-only baselines.

A significant obstacle in the development of robust machine learning models is \emph{covariate shift}, a form of distribution shift that occurs when the input distributions of the training and test sets differ while the conditional label distributions remain the same. Despite the prevalence of covariate shift in real-world applications, a theoretical understanding in the context of modern machine learning has remained lacking. In this work, we examine the exact high-dimensional asymptotics of random feature regression under covariate shift and present a precise characterization of the limiting test error, bias, and variance in this setting. Our results motivate a natural partial order over covariate shifts that provides a sufficient condition for determining when the shift will harm (or even help) test performance. We find that overparameterized models exhibit enhanced robustness to covariate shift, providing one of the first theoretical explanations for this ubiquitous empirical phenomenon. Additionally, our analysis reveals an exact linear relationship between the in-distribution and out-of-distribution generalization performance, offering an explanation for this surprising recent observation.