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 Regression


Learning the score under shape constraints

arXiv.org Machine Learning

Score estimation has recently emerged as a key modern statistical challenge, due to its pivotal role in generative modelling via diffusion models. Moreover, it is an essential ingredient in a new approach to linear regression via convex $M$-estimation, where the corresponding error densities are projected onto the log-concave class. Motivated by these applications, we study the minimax risk of score estimation with respect to squared $L^2(P_0)$-loss, where $P_0$ denotes an underlying log-concave distribution on $\mathbb{R}$. Such distributions have decreasing score functions, but on its own, this shape constraint is insufficient to guarantee a finite minimax risk. We therefore define subclasses of log-concave densities that capture two fundamental aspects of the estimation problem. First, we establish the crucial impact of tail behaviour on score estimation by determining the minimax rate over a class of log-concave densities whose score function exhibits controlled growth relative to the quantile levels. Second, we explore the interplay between smoothness and log-concavity by considering the class of log-concave densities with a scale restriction and a $(ฮฒ,L)$-Hรถlder assumption on the log-density for some $ฮฒ\in [1,2]$. We show that the minimax risk over this latter class is of order $L^{2/(2ฮฒ+1)}n^{-ฮฒ/(2ฮฒ+1)}$ up to poly-logarithmic factors, where $n$ denotes the sample size. When $ฮฒ< 2$, this rate is faster than could be obtained under either the shape constraint or the smoothness assumption alone. Our upper bounds are attained by a locally adaptive, multiscale estimator constructed from a uniform confidence band for the score function. This study highlights intriguing differences between the score estimation and density estimation problems over this shape-constrained class.


From STLS to Projection-based Dictionary Selection in Sparse Regression for System Identification

arXiv.org Machine Learning

In this work, we revisit dictionary-based sparse regression, in particular, Sequential Threshold Least Squares (STLS), and propose a score-guided library selection to provide practical guidance for data-driven modeling, with emphasis on SINDy-type algorithms. STLS is an algorithm to solve the $\ell_0$ sparse least-squares problem, which relies on splitting to efficiently solve the least-squares portion while handling the sparse term via proximal methods. It produces coefficient vectors whose components depend on both the projected reconstruction errors, here referred to as the scores, and the mutual coherence of dictionary terms. The first contribution of this work is a theoretical analysis of the score and dictionary-selection strategy. This could be understood in both the original and weak SINDy regime. Second, numerical experiments on ordinary and partial differential equations highlight the effectiveness of score-based screening, improving both accuracy and interpretability in dynamical system identification. These results suggest that integrating score-guided methods to refine the dictionary more accurately may help SINDy users in some cases to enhance their robustness for data-driven discovery of governing equations.


PAC-Bayes Bounds for Multivariate Linear Regression and Linear Autoencoders

arXiv.org Machine Learning

Linear Autoencoders (LAEs) have shown strong performance in state-of-the-art recommender systems. However, this success remains largely empirical, with limited theoretical understanding. In this paper, we investigate the generalizability -- a theoretical measure of model performance in statistical learning -- of multivariate linear regression and LAEs. We first propose a PAC-Bayes bound for multivariate linear regression, extending the earlier bound for single-output linear regression by Shalaeva et al., and establish sufficient conditions for its convergence. We then show that LAEs, when evaluated under a relaxed mean squared error, can be interpreted as constrained multivariate linear regression models on bounded data, to which our bound adapts. Furthermore, we develop theoretical methods to improve the computational efficiency of optimizing the LAE bound, enabling its practical evaluation on large models and real-world datasets. Experimental results demonstrate that our bound is tight and correlates well with practical ranking metrics such as Recall@K and NDCG@K.


On the Accuracy of Newton Step and Influence Function Data Attributions

arXiv.org Machine Learning

Data attribution aims to explain model predictions by estimating how they would change if certain training points were removed, and is used in a wide range of applications, from interpretability and credit assignment to unlearning and privacy. Even in the relatively simple case of linear regressions, existing mathematical analyses of leading data attribution methods such as Influence Functions (IF) and single Newton Step (NS) remain limited in two key ways. First, they rely on global strong convexity assumptions which are often not satisfied in practice. Second, the resulting bounds scale very poorly with the number of parameters ($d$) and the number of samples removed ($k$). As a result, these analyses are not tight enough to answer fundamental questions such as "what is the asymptotic scaling of the errors of each method?" or "which of these methods is more accurate for a given dataset?" In this paper, we introduce a new analysis of the NS and IF data attribution methods for convex learning problems. To the best of our knowledge, this is the first analysis of these questions that does not assume global strong convexity and also the first explanation of [KATL19] and [RH25a]'s observation that NS data attribution is often more accurate than IF. We prove that for sufficiently well-behaved logistic regression, our bounds are asymptotically tight up to poly-logarithmic factors, yielding scaling laws for the errors in the average-case sample removals. \[ \mathbb{E}_{T \subseteq [n],\, |T| = k} \bigl[ \|\hatฮธ_T - \hatฮธ_T^{\mathrm{NS}}\|_2 \bigr] = \widetildeฮ˜\!\left(\frac{k d}{n^2}\right), \qquad \mathbb{E}_{T \subseteq [n],\, |T| = k} \bigl[ \|\hatฮธ_T^{\mathrm{NS}} - \hatฮธ_T^{\mathrm{IF}}\|_2 \bigr] = \widetildeฮ˜\!\left( \frac{(k + d)\sqrt{k d}}{n^2} \right). \]


Scalable branch-and-bound model selection with non-monotonic criteria including AIC, BIC and Mallows's $\mathit{C_p}$

arXiv.org Machine Learning

Model selection is a pivotal process in the quantitative sciences, where researchers must navigate between numerous candidate models of varying complexity. Traditional information criteria, such as the corrected Akaike Information Criterion (AICc), Bayesian Information Criterion (BIC), and Mallows's $\mathit{C_p}$, are valuable tools for identifying optimal models. However, the exponential increase in candidate models with each additional model parameter renders the evaluation of these criteria for all models -- a strategy known as exhaustive, or brute-force, searches -- computationally prohibitive. Consequently, heuristic approaches like stepwise regression are commonly employed, albeit without guarantees of finding the globally-optimal model. In this study, we challenge the prevailing notion that non-monotonicity in information criteria precludes bounds on the search space. We introduce a simple but novel bound that enables the development of branch-and-bound algorithms tailored for these non-monotonic functions. We demonstrate that our approach guarantees identification of the optimal model(s) across diverse model classes, sizes, and applications, often with orders of magnitude computational speedups. For instance, in one previously-published model selection task involving $2^{32}$ (approximately 4 billion) candidate models, our method achieves a computational speedup exceeding 6,000. These findings have broad implications for the scalability and effectiveness of model selection in complex scientific domains.


Autotune: fast, accurate, and automatic tuning parameter selection for Lasso

arXiv.org Machine Learning

Least absolute shrinkage and selection operator (Lasso), a popular method for high-dimensional regression, is now used widely for estimating high-dimensional time series models such as the vector autoregression (VAR). Selecting its tuning parameter efficiently and accurately remains a challenge, despite the abundance of available methods for doing so. We propose $\mathsf{autotune}$, a strategy for Lasso to automatically tune itself by optimizing a penalized Gaussian log-likelihood alternately over regression coefficients and noise standard deviation. Using extensive simulation experiments on regression and VAR models, we show that $\mathsf{autotune}$ is faster, and provides better generalization and model selection than established alternatives in low signal-to-noise regimes. In the process, $\mathsf{autotune}$ provides a new estimator of noise standard deviation that can be used for high-dimensional inference, and a new visual diagnostic procedure for checking the sparsity assumption on regression coefficients. Finally, we demonstrate the utility of $\mathsf{autotune}$ on a real-world financial data set. An R package based on C++ is also made publicly available on Github.


Softmax as Linear Attention in the Large-Prompt Regime: a Measure-based Perspective

arXiv.org Machine Learning

Softmax attention is a central component of transformer architectures, yet its nonlinear structure poses significant challenges for theoretical analysis. We develop a unified, measure-based framework for studying single-layer softmax attention under both finite and infinite prompts. For i.i.d. Gaussian inputs, we lean on the fact that the softmax operator converges in the infinite-prompt limit to a linear operator acting on the underlying input-token measure. Building on this insight, we establish non-asymptotic concentration bounds for the output and gradient of softmax attention, quantifying how rapidly the finite-prompt model approaches its infinite-prompt counterpart, and prove that this concentration remains stable along the entire training trajectory in general in-context learning settings with sub-Gaussian tokens. In the case of in-context linear regression, we use the tractable infinite-prompt dynamics to analyze training at finite prompt length. Our results allow optimization analyses developed for linear attention to transfer directly to softmax attention when prompts are sufficiently long, showing that large-prompt softmax attention inherits the analytical structure of its linear counterpart. This, in turn, provides a principled and broadly applicable toolkit for studying the training dynamics and statistical behavior of softmax attention layers in large prompt regimes.


The Interplay of Statistics and Noisy Optimization: Learning Linear Predictors with Random Data Weights

arXiv.org Machine Learning

We analyze gradient descent with randomly weighted data points in a linear regression model, under a generic weighting distribution. This includes various forms of stochastic gradient descent, importance sampling, but also extends to weighting distributions with arbitrary continuous values, thereby providing a unified framework to analyze the impact of various kinds of noise on the training trajectory. We characterize the implicit regularization induced through the random weighting, connect it with weighted linear regression, and derive non-asymptotic bounds for convergence in first and second moments. Leveraging geometric moment contraction, we also investigate the stationary distribution induced by the added noise. Based on these results, we discuss how specific choices of weighting distribution influence both the underlying optimization problem and statistical properties of the resulting estimator, as well as some examples for which weightings that lead to fast convergence cause bad statistical performance.


Supervised learning pays attention

arXiv.org Machine Learning

In-context learning with attention enables large neural networks to make context-specific predictions by selectively focusing on relevant examples. Here, we adapt this idea to supervised learning procedures such as lasso regression and gradient boosting, for tabular data. Our goals are to (1) flexibly fit personalized models for each prediction point and (2) retain model simplicity and interpretability. Our method fits a local model for each test observation by weighting the training data according to attention, a supervised similarity measure that emphasizes features and interactions that are predictive of the outcome. Attention weighting allows the method to adapt to heterogeneous data in a data-driven way, without requiring cluster or similarity pre-specification. Further, our approach is uniquely interpretable: for each test observation, we identify which features are most predictive and which training observations are most relevant. We then show how to use attention weighting for time series and spatial data, and we present a method for adapting pretrained tree-based models to distributional shift using attention-weighted residual corrections. Across real and simulated datasets, attention weighting improves predictive performance while preserving interpretability, and theory shows that attention-weighting linear models attain lower mean squared error than the standard linear model under mixture-of-models data-generating processes with known subgroup structure.


Debiased Bayesian Inference for High-dimensional Regression Models

arXiv.org Machine Learning

Applied researchers now routinely work with regression models that feature a large number of covariates. A primary inferential goal in econometrics is to estimate the ceteris paribus effect of a specific variable while controlling for other variables (Belloni et al., 2013a, 2018). The prevailing practice interprets the coefficient on a regressor as a causal effect, conditional on the included controls. As the plausibility of conditional unconfoundedness is often argued using a large set of covariates, practitioners have increasingly embraced high-dimensional regression models. This setting has been extensively studied, predominantly using frequentist methods. Bayesian inference, on the other hand, has long been valued for its coherent framework for handling uncertainty in statistical analysis. As highlighted by Rubin (1984), Bayesian methods provide direct answers to many empirical questions by quantifying uncertainty about unknown parameters conditional on the observed data.