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 Regression


Demystifying Prediction Powered Inference

Song, Yilin, Kluger, Dan M., Parikh, Harsh, Gu, Tian

arXiv.org Machine Learning

Machine learning predictions are increasingly used to supplement incomplete or costly-to-measure outcomes in fields such as biomedical research, environmental science, and social science. However, treating predictions as ground truth introduces bias while ignoring them wastes valuable information. Prediction-Powered Inference (PPI) offers a principled framework that leverages predictions from large unlabeled datasets to improve statistical efficiency while maintaining valid inference through explicit bias correction using a smaller labeled subset. Despite its potential, the growing PPI variants and the subtle distinctions between them have made it challenging for practitioners to determine when and how to apply these methods responsibly. This paper demystifies PPI by synthesizing its theoretical foundations, methodological extensions, connections to existing statistics literature, and diagnostic tools into a unified practical workflow. Using the Mosaiks housing price data, we show that PPI variants produce tighter confidence intervals than complete-case analysis, but that double-dipping, i.e. reusing training data for inference, leads to anti-conservative confidence intervals and coverages. Under missing-not-at-random mechanisms, all methods, including classical inference using only labeled data, yield biased estimates. We provide a decision flowchart linking assumption violations to appropriate PPI variants, a summary table of selective methods, and practical diagnostic strategies for evaluating core assumptions. By framing PPI as a general recipe rather than a single estimator, this work bridges methodological innovation and applied practice, helping researchers responsibly integrate predictions into valid inference.


Contrasting Global and Patient-Specific Regression Models via a Neural Network Representation

Behrens, Max, Stolz, Daiana, Papakonstantinou, Eleni, Nolde, Janis M., Bellerino, Gabriele, Rohde, Angelika, Hess, Moritz, Binder, Harald

arXiv.org Machine Learning

When developing clinical prediction models, it can be challenging to balance between global models that are valid for all patients and personalized models tailored to individuals or potentially unknown subgroups. To aid such decisions, we propose a diagnostic tool for contrasting global regression models and patient-specific (local) regression models. The core utility of this tool is to identify where and for whom a global model may be inadequate. We focus on regression models and specifically suggest a localized regression approach that identifies regions in the predictor space where patients are not well represented by the global model. As localization becomes challenging when dealing with many predictors, we propose modeling in a dimension-reduced latent representation obtained from an autoencoder. Using such a neural network architecture for dimension reduction enables learning a latent representation simultaneously optimized for both good data reconstruction and for revealing local outcome-related associations suitable for robust localized regression. We illustrate the proposed approach with a clinical study involving patients with chronic obstructive pulmonary disease. Our findings indicate that the global model is adequate for most patients but that indeed specific subgroups benefit from personalized models. We also demonstrate how to map these subgroup models back to the original predictors, providing insight into why the global model falls short for these groups. Thus, the principal application and diagnostic yield of our tool is the identification and characterization of patients or subgroups whose outcome associations deviate from the global model. Introduction In clinical research, conclusions about potential relationships between patient characteristics and outcomes often are based on regression models. More specifically, there might not be just some random variability across the parameters of patients, e.g. as considered in regression modeling with random effects (Pinheiro and Bates, 2000), but different regions in the space spanned by the patient characteristics might require different parameters. For example, the relation of some patient characteristics to the outcome might be more pronounced for older patients with high body weight, without having a corresponding pre-defined subgroup indicator. While sticking to a global model keeps interpretation simple and is beneficial in terms of statistical stability, it would at least be useful to have some diagnostic tool for judging the potential extent of deviations from the global model.


Conformal prediction for full and sparse polynomial chaos expansions

Hatstatt, A., Zhu, X., Sudret, B.

arXiv.org Machine Learning

Polynomial Chaos Expansions (PCEs) are widely recognized for their efficient computational performance in surrogate modeling. Yet, a robust framework to quantify local model errors is still lacking. While the local uncertainty of PCE prediction can be captured using bootstrap resampling, other methods offering more rigorous statistical guarantees are needed, especially in the context of small training datasets. Recently, conformal predictions have demonstrated strong potential in machine learning, providing statistically robust and model-agnostic prediction intervals. Due to its generality and versatility, conformal prediction is especially valuable, as it can be adapted to suit a variety of problems, making it a compelling choice for PCE-based surrogate models. In this contribution, we explore its application to PCE-based surrogate models. More precisely, we present the integration of two conformal prediction methods, namely the full conformal and the Jackknife+ approaches, into both full and sparse PCEs. For full PCEs, we introduce computational shortcuts inspired by the inherent structure of regression methods to optimize the implementation of both conformal methods. For sparse PCEs, we incorporate the two approaches with appropriate modifications to the inference strategy, thereby circumventing the non-symmetrical nature of the regression algorithm and ensuring valid prediction intervals. Our developments yield better-calibrated prediction intervals for both full and sparse PCEs, achieving superior coverage over existing approaches, such as the bootstrap, while maintaining a moderate computational cost.


Finite-Sample Inference for Sparsely Permuted Linear Regression

Ota, Hirofumi, Imaizumi, Masaaki

arXiv.org Machine Learning

We study a linear observation model with an unknown permutation called \textit{permuted/shuffled linear regression}, where responses and covariates are mismatched and the permutation forms a discrete, factorial-size parameter. The permutation is a key component of the data-generating process, yet its statistical investigation remains challenging due to its discrete nature. We develop a general statistical inference framework on the permutation and regression coefficients. First, we introduce a localization step that reduces the permutation space to a small candidate set building on recent advances in the repro samples method, whose miscoverage decays polynomially with the number of Monte Carlo samples. Then, based on this localized set, we provide statistical inference procedures: a conditional Monte Carlo test of permutation structures with valid finite-sample Type-I error control. We also develop coefficient inference that remains valid under alignment uncertainty of permutations. For computational purposes, we develop a linear assignment problem computable in polynomial time and demonstrate that, with high probability, the solution is equivalent to that of the conventional least squares with large computational cost. Extensions to partially permuted designs and ridge regularization are further discussed. Extensive simulations and an application to air-quality data corroborate finite-sample validity, strong power to detect mismatches, and practical scalability.


Efficient and Minimax-optimal In-context Nonparametric Regression with Transformers

Ching, Michelle, Popescu, Ioana, Smith, Nico, Ma, Tianyi, Underwood, William G., Samworth, Richard J.

arXiv.org Machine Learning

We study in-context learning for nonparametric regression with $α$-Hölder smooth regression functions, for some $α>0$. We prove that, with $n$ in-context examples and $d$-dimensional regression covariates, a pretrained transformer with $Θ(\log n)$ parameters and $Ω\bigl(n^{2α/(2α+d)}\log^3 n\bigr)$ pretraining sequences can achieve the minimax-optimal rate of convergence $O\bigl(n^{-2α/(2α+d)}\bigr)$ in mean squared error. Our result requires substantially fewer transformer parameters and pretraining sequences than previous results in the literature. This is achieved by showing that transformers are able to approximate local polynomial estimators efficiently by implementing a kernel-weighted polynomial basis and then running gradient descent.


Consistency of Honest Decision Trees and Random Forests

Bladt, Martin, Lemvig, Rasmus Frigaard

arXiv.org Machine Learning

We study various types of consistency of honest decision trees and random forests in the regression setting. In contrast to related literature, our proofs are elementary and follow the classical arguments used for smoothing methods. Under mild regularity conditions on the regression function and data distribution, we establish weak and almost sure convergence of honest trees and honest forest averages to the true regression function, and moreover we obtain uniform convergence over compact covariate domains. The framework naturally accommodates ensemble variants based on subsampling and also a two-stage bootstrap sampling scheme. Our treatment synthesizes and simplifies existing analyses, in particular recovering several results as special cases. The elementary nature of the arguments clarifies the close relationship between data-adaptive partitioning and kernel-type methods, providing an accessible approach to understanding the asymptotic behavior of tree-based methods.


Fair Regression under Demographic Parity: A Unified Framework

Feng, Yongzhen, Wang, Weiwei, Wong, Raymond K. W., Zhang, Xianyang

arXiv.org Machine Learning

We propose a unified framework for fair regression tasks formulated as risk minimization problems subject to a demographic parity constraint. Unlike many existing approaches that are limited to specific loss functions or rely on challenging non-convex optimization, our framework is applicable to a broad spectrum of regression tasks. Examples include linear regression with squared loss, binary classification with cross-entropy loss, quantile regression with pinball loss, and robust regression with Huber loss. We derive a novel characterization of the fair risk minimizer, which yields a computationally efficient estimation procedure for general loss functions. Theoretically, we establish the asymptotic consistency of the proposed estimator and derive its convergence rates under mild assumptions. We illustrate the method's versatility through detailed discussions of several common loss functions. Numerical results demonstrate that our approach effectively minimizes risk while satisfying fairness constraints across various regression settings.


Riesz Representer Fitting under Bregman Divergence: A Unified Framework for Debiased Machine Learning

Kato, Masahiro

arXiv.org Machine Learning

Estimating the Riesz representer is central to debiased machine learning for causal and structural parameter estimation. We propose generalized Riesz regression, a unified framework that estimates the Riesz representer by fitting a representer model via Bregman divergence minimization. This framework includes the squared loss and the Kullback--Leibler (KL) divergence as special cases: the former recovers Riesz regression, while the latter recovers tailored loss minimization. Under suitable model specifications, the dual problems correspond to covariate balancing, which we call automatic covariate balancing. Moreover, under the same specifications, outcome averages weighted by the estimated Riesz representer satisfy Neyman orthogonality even without estimating the regression function, a property we call automatic Neyman orthogonalization. This property not only reduces the estimation error of Neyman orthogonal scores but also clarifies a key distinction between debiased machine learning and targeted maximum likelihood estimation. Our framework can also be viewed as a generalization of density ratio fitting under Bregman divergences to Riesz representer estimation, and it applies beyond density ratio estimation. We provide convergence analyses for both reproducing kernel Hilbert space (RKHS) and neural network model classes. A Python package for generalized Riesz regression is available at https://github.com/MasaKat0/grr.


Differentially Private Inference for Longitudinal Linear Regression

Sopa, Getoar, Medina, Marco Avella, Rush, Cynthia

arXiv.org Machine Learning

Differential Privacy (DP) provides a rigorous framework for releasing statistics while protecting individual information present in a dataset. Although substantial progress has been made on differentially private linear regression, existing methods almost exclusively address the item-level DP setting, where each user contributes a single observation. Many scientific and economic applications instead involve longitudinal or panel data, in which each user contributes multiple dependent observations. In these settings, item-level DP offers inadequate protection, and user-level DP - shielding an individual's entire trajectory - is the appropriate privacy notion. We develop a comprehensive framework for estimation and inference in longitudinal linear regression under user-level DP. We propose a user-level private regression estimator based on aggregating local regressions, and we establish finite-sample guarantees and asymptotic normality under short-range dependence. For inference, we develop a privatized, bias-corrected covariance estimator that is automatically heteroskedasticity- and autocorrelation-consistent. These results provide the first unified framework for practical user-level DP estimation and inference in longitudinal linear regression under dependence, with strong theoretical guarantees and promising empirical performance.


LARGE: A Locally Adaptive Regularization Approach for Estimating Gaussian Graphical Models

Nguyen, Ha, Basu, Sumanta

arXiv.org Machine Learning

The graphical Lasso (GLASSO) is a widely used algorithm for learning high-dimensional undirected Gaussian graphical models (GGM). Given i.i.d. observations from a multivariate normal distribution, GLASSO estimates the precision matrix by maximizing the log-likelihood with an \ell_1-penalty on the off-diagonal entries. However, selecting an optimal regularization parameter λin this unsupervised setting remains a significant challenge. A well-known issue is that existing methods, such as out-of-sample likelihood maximization, select a single global λand do not account for heterogeneity in variable scaling or partial variances. Standardizing the data to unit variances, although a common workaround, has been shown to negatively affect graph recovery. Addressing the problem of nodewise adaptive tuning in graph estimation is crucial for applications like computational neuroscience, where brain networks are constructed from highly heterogeneous, region-specific fMRI data. In this work, we develop Locally Adaptive Regularization for Graph Estimation (LARGE), an approach to adaptively learn nodewise tuning parameters to improve graph estimation and selection. In each block coordinate descent step of GLASSO, we augment the nodewise Lasso regression to jointly estimate the regression coefficients and error variance, which in turn guides the adaptive learning of nodewise penalties. In simulations, LARGE consistently outperforms benchmark methods in graph recovery, demonstrates greater stability across replications, and achieves the best estimation accuracy in the most difficult simulation settings. We demonstrate the practical utility of our method by estimating brain functional connectivity from a real fMRI data set.