regression function
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A Statistical Theory of Gated Attention through the Lens of Hierarchical Mixture of Experts
Nguyen, Viet, Pham, Tuan Minh, Cao, Thinh, Dinh, Tan, Nguyen, Huy, Ho, Nhat, Rinaldo, Alessandro
Self-attention has greatly contributed to the success of the widely used Transformer architecture by enabling learning from data with long-range dependencies. In an effort to improve performance, a gated attention model that leverages a gating mechanism within the multi-head self-attention has recently been proposed as a promising alternative. Gated attention has been empirically demonstrated to increase the expressiveness of low-rank mapping in standard attention and even to eliminate the attention sink phenomenon. Despite its efficacy, a clear theoretical understanding of gated attention's benefits remains lacking in the literature. To close this gap, we rigorously show that each entry in a gated attention matrix or a multi-head self-attention matrix can be written as a hierarchical mixture of experts. By recasting learning as an expert estimation problem, we demonstrate that gated attention is more sample-efficient than multi-head self-attention. In particular, while the former needs only a polynomial number of data points to estimate an expert, the latter requires exponentially many data points to achieve the same estimation error. Furthermore, our analysis also provides a theoretical justification for why gated attention yields higher performance when a gate is placed at the output of the scaled dot product attention or the value map rather than at other positions in the multi-head self-attention architecture.
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Efficient and Minimax-optimal In-context Nonparametric Regression with Transformers
Ching, Michelle, Popescu, Ioana, Smith, Nico, Ma, Tianyi, Underwood, William G., Samworth, Richard J.
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.
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Calibration Bands for Mean Estimates within the Exponential Dispersion Family
Delong, Łukasz, Gatti, Selim, Wüthrich, Mario V.
Calibration Bands for Mean Estimates within the Exponential Dispersion Family null Lukasz Delong Selim Gatti Mario V. W uthrich Version of October 8, 2025 Abstract A statistical model is said to be calibrated if the resulting mean estimates perfectly match the true means of the underlying responses. Aiming for calibration is often not achievable in practice as one has to deal with finite samples of noisy observations. A weaker notion of calibration is auto-calibration. An auto-calibrated model satisfies that the expected value of the responses for a given mean estimate matches this estimate. Testing for auto-calibration has only been considered recently in the literature and we propose a new approach based on calibration bands. Calibration bands denote a set of lower and upper bounds such that the probability that the true means lie simultaneously inside those bounds exceeds some given confidence level. Such bands were constructed by Yang-Barber (2019) for sub-Gaussian distributions. Dimitriadis et al. (2023) then introduced narrower bands for the Bernoulli distribution. We use the same idea in order to extend the construction to the entire exponential dispersion family that contains for example the binomial, Poisson, negative binomial, gamma and normal distributions. Moreover, we show that the obtained calibration bands allow us to construct various tests for calibration and auto-calibration, respectively. As the construction of the bands does not rely on asymptotic results, we emphasize that our tests can be used for any sample size. Auto-calibration, calibration, calibration bands, exponential dispersion family, mean estimation, regression modeling, binomial distribution, Poisson distribution, negative binomial distribution, gamma distribution, normal distribution inverse Gaussian distribution. 1 Introduction Various statistical methods can be used to derive mean estimates from available observations, and it is important to understand whether these mean estimates are reliable for decision making. A statistical model is said to be calibrated if the resulting mean estimates perfectly match the true means of the underlying responses. In practice, calibration is often not achievable, as estimates are obtained from finite samples of noisy observations.
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Bayesian Multiple Multivariate Density-Density Regression
Nguyen, Khai, Ni, Yang, Mueller, Peter
We propose the first approach for multiple multivariate density-density regression (MDDR), making it possible to consider the regression of a multivariate density-valued response on multiple multivariate density-valued predictors. The core idea is to define a fitted distribution using a sliced Wasserstein barycenter (SWB) of push-forwards of the predictors and to quantify deviations from the observed response using the sliced Wasserstein (SW) distance. Regression functions, which map predictors' supports to the response support, and barycenter weights are inferred within a generalized Bayes framework, enabling principled uncertainty quantification without requiring a fully specified likelihood. The inference process can be seen as an instance of an inverse SWB problem. We establish theoretical guarantees, including the stability of the SWB under perturbations of marginals and barycenter weights, sample complexity of the generalized likelihood, and posterior consistency. For practical inference, we introduce a differentiable approximation of the SWB and a smooth reparameterization to handle the simplex constraint on barycenter weights, allowing efficient gradient-based MCMC sampling. We demonstrate MDDR in an application to inference for population-scale single-cell data. Posterior analysis under the MDDR model in this example includes inference on communication between multiple source/sender cell types and a target/receiver cell type. The proposed approach provides accurate fits, reliable predictions, and interpretable posterior estimates of barycenter weights, which can be used to construct sparse cell-cell communication networks.
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Tessellation Localized Transfer learning for nonparametric regression
Halconruy, Hélène, Bobbia, Benjamin, Lejamtel, Paul
Transfer learning aims to improve performance on a target task by leveraging information from related source tasks. We propose a nonparametric regression transfer learning framework that explicitly models heterogeneity in the source-target relationship. Our approach relies on a local transfer assumption: the covariate space is partitioned into finitely many cells such that, within each cell, the target regression function can be expressed as a low-complexity transformation of the source regression function. This localized structure enables effective transfer where similarity is present while limiting negative transfer elsewhere. We introduce estimators that jointly learn the local transfer functions and the target regression, together with fully data-driven procedures that adapt to unknown partition structure and transfer strength. We establish sharp minimax rates for target regression estimation, showing that local transfer can mitigate the curse of dimensionality by exploiting reduced functional complexity. Our theoretical guarantees take the form of oracle inequalities that decompose excess risk into estimation and approximation terms, ensuring robustness to model misspecification. Numerical experiments illustrate the benefits of the proposed approach.
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Conditional independence testing under misspecified inductive biases
Conditional independence (CI) testing is a fundamental and challenging task in modern statistics and machine learning. Many modern methods for CI testing rely on powerful supervised learning methods to learn regression functions or Bayes predictors as an intermediate step; we refer to this class of tests as regression-based tests. Although these methods are guaranteed to control Type-I error when the supervised learning methods accurately estimate the regression functions or Bayes predictors of interest, their behavior is less understood when they fail due to misspecified inductive biases; in other words, when the employed models are not flexible enough or when the training algorithm does not induce the desired predictors. Then, we study the performance of regression-based CI tests under misspecified inductive biases. Namely, we propose new approximations or upper bounds for the testing errors of three regression-based tests that depend on misspecification errors. Moreover, we introduce the Rao-Blackwellized Predictor Test (RBPT), a regression-based CI test robust against misspecified inductive biases. Finally, we conduct experiments with artificial and real data, showcasing the usefulness of our theory and methods.
Hierarchical and Density-based Causal Clustering
Understanding treatment effect heterogeneity is vital for scientific and policy research. However, identifying and evaluating heterogeneous treatment effects pose significant challenges due to the typically unknown subgroup structure. Recently, a novel approach, causal k-means clustering, has emerged to assess heterogeneity of treatment effect by applying the k-means algorithm to unknown counterfactual regression functions. In this paper, we expand upon this framework by integrating hierarchical and density-based clustering algorithms. We propose plug-in estimators which are simple and readily implementable using off-the-shelf algorithms.
Fair regression via plug-in estimator and recalibration with statistical guarantees
We study the problem of learning an optimal regression function subject to a fairness constraint. It requires that, conditionally on the sensitive feature, the distribution of the function output remains the same. This constraint naturally extends the notion of demographic parity, often used in classification, to the regression setting. We tackle this problem by leveraging on a proxy-discretized version, for which we derive an explicit expression of the optimal fair predictor. This result naturally suggests a two stage approach, in which we first estimate the (unconstrained) regression function from a set of labeled data and then we recalibrate it with another set of unlabeled data. The recalibration step can be efficiently performed via a smooth optimization. We derive rates of convergence of the proposed estimator to the optimal fair predictor both in terms of the risk and fairness constraint. Finally, we present numerical experiments illustrating that the proposed method is often superior or competitive with state-of-the-art methods.