Regression
Covariate-moderated Empirical Bayes Matrix Factorization
Matrix factorization is a fundamental method in statistics and machine learning for inferring and summarizing structure in multivariate data. Modern data sets often come with "side information" of various forms (images, text, graphs) that can be leveraged to improve estimation of the underlying structure. However, existing methods that leverage side information are limited in the types of data they can incorporate, and they assume specific parametric models. Here, we introduce a novel method for this problem, covariate-moderated empirical Bayes matrix factorization (cEBMF).
Ascent Fails to Forget
Contrary to common belief, we show that gradient ascent-based unconstrained optimization methods frequently fail to perform machine unlearning, a phenomenon we attribute to the inherent statistical dependence between the forget and retain data sets. This dependence, which can manifest itself even as simple correlations, undermines the misconception that these sets can be independently manipulated during unlearning. We provide empirical and theoretical evidence showing these methods often fail precisely due to this overlooked relationship. For random forget sets, this dependence means that degrading forget set metrics (which, for the oracle, should mirror test set metrics) inevitably harms overall test performance. Going beyond random sets, we consider logistic regression as an instructive example where a critical failure mode emerges: inter-set dependence causes gradient descentascent iterations to progressively diverge from the oracle. Strikingly, these methods can converge to solutions that are not only far from the oracle but are potentially even further from it than the original model itself, rendering the unlearning process actively detrimental. A toy example further illustrates how this dependence can trap models in inferior local minima, inescapable via finetuning. Our findings highlight that the presence of such statistical dependencies, even when manifest only as correlations, can be sufficient for ascent-based unlearning to fail. Our theoretical insights are corroborated by experiments on complex neural networks, demonstrating that these methods do not perform as expected in practice due to this unaddressed statistical interplay.
Risk Bounds For Distributional Regression
This work examines risk bounds for nonparametric distributional regression estimators. For convex-constrained distributional regression, general upper bounds are established for the continuous ranked probability score (CRPS) and the worst-case mean squared error (MSE) across the domain. These theoretical results are applied to isotonic and trend filtering distributional regression, yielding convergence rates consistent with those for mean estimation. Furthermore, a general upper bound is derived for distributional regression under non-convex constraints, with a specific application to neural network-based estimators.
The limits of interpretability in multiple linear regression
Sharma, Anand, Liu, Chen, Coslovich, Daniele, Ozawa, Misaki
Interpreting machine-learning models has attracted increasing attention, particularly in the physical sciences, where one often seeks to understand the underlying mechanisms rather than merely make predictions. Multiple linear regression is often regarded as an interpretable alternative to more complex models, such as deep neural networks, because its predictions are expressed as explicit weighted sums of input features. However, when input features are strongly correlated, namely in the presence of multicollinearity, the learned weights can exhibit large dataset-to-dataset fluctuations and oscillatory behavior across physically similar features, making their interpretation difficult or even impossible. Although the instability of the weights under multicollinearity is well known in statistics, its consequences for physical interpretation, in particular its connection to oscillatory weights across physically similar features, have not been systematically clarified. Here, we theoretically discuss the mechanism behind this loss of interpretability by analyzing the eigenmodes of the feature correlation matrix. We show that small-eigenvalue modes associated with multicollinearity amplify fluctuations in the weights and generate oscillatory patterns that do not necessarily reflect meaningful contributions. We test this theoretical picture numerically on physics datasets and show that Ridge regularization suppresses these unstable modes, although the resulting weights must still be interpreted with caution. We further confirm the generality of our findings beyond physics by analyzing a diverse collection of publicly available datasets. Our results clarify why, in the presence of multicollinearity, physical interpretation can remain difficult even for linear regression models.
Improving the Generation and Evaluation of Synthetic Data for Downstream Medical Causal Inference
Causal inference is essential for developing and evaluating medical interventions, yet real-world medical datasets are often difficult to access due to regulatory barriers. This makes synthetic data a potentially valuable asset that enables these medical analyses, along with the development of new inference methods themselves. Generative models can produce synthetic data that closely approximate real data distributions, yet existing methods do not consider the unique challenges that downstream causal inference tasks, and specifically those focused on treatments, pose. We establish a set of desiderata that synthetic data containing treatments should satisfy to maximise downstream utility: preservation of (i) the covariate distribution, (ii) the treatment assignment mechanism, and (iii) the outcome generation mechanism. Based on these desiderata, we propose a set of evaluation metrics to assess such synthetic data. Finally, we present STEAM: a novel method for generating Synthetic data for Treatment Effect Analysis in Medicine that mimics the data-generating process of data containing treatments and optimises for our desiderata. We empirically demonstrate that STEAM achieves state-of-the-art performance across our metrics as compared to existing generative models, particularly as the complexity of the true data-generating process increases.
Regression-adjusted Monte Carlo Estimators for Shapley Values and Probabilistic Values
With origins in game theory, probabilistic values like Shapley values, Banzhaf values, and semi-values have emerged as a central tool in explainable AI. They are used for feature attribution, data attribution, data valuation, and more. Since all of these values require exponential time to compute exactly, research has focused on efficient approximation methods using two techniques: Monte Carlo sampling and linear regression formulations. In this work, we present a new way of combining both of these techniques. Our approach is more flexible than prior algorithms, allowing for linear regression to be replaced with any function family whose probabilistic values can be computed efficiently. This allows us to harness the accuracy of tree-based models like XGBoost, while still producing unbiased estimates. From experiments across eight datasets, we find that our methods give state-of-the-art performance for estimating probabilistic values. For Shapley values, the error of our methods can be 6.5 lower than Permutation SHAP (the most popular Monte Carlo method), 3.8 lower than Kernel SHAP (the most popular linear regression method), and 2.6 lower than Leverage SHAP (the prior stateof-the-art Shapley value estimator). For more general probabilistic values, we can obtain error 215 lower than the best estimator from prior work.
Adversarial Robustness of Nonparametric Regression
In this paper, we investigate the adversarial robustness of nonparametric regression, a fundamental problem in machine learning, under the setting where an adversary can arbitrarily corrupt a subset of the input data. While the robustness of parametric regression has been extensively studied, its nonparametric counterpart remains largely unexplored. We characterize the adversarial robustness in nonparametric regression, assuming the regression function belongs to the second-order Sobolev space (i.e., it is square integrable up to its second derivative). The contribution of this paper is two-fold: (i) we establish a minimax lower bound on the estimation error, revealing a fundamental limit that no estimator can overcome, and (ii) we show that, perhaps surprisingly, the classical smoothing spline estimator, when properly regularized, exhibits robustness against adversarial corruption. These results imply that if o(n) out of n samples are corrupted, the estimation error of the smoothing spline vanishes as n . On the other hand, when a constant fraction of the data is corrupted, no estimator can guarantee vanishing estimation error, implying the optimality of the smoothing spline in terms of maximum tolerable number of corrupted samples.
Gaussian Processes for Shuffled Regression
Shuffled regression is the problem of learning regression functions from shuffled data where the correspondence between the input features and target response is unknown. This paper proposes a probabilistic model for shuffled regression called Gaussian Process Shuffled Regression (GPSR). By introducing Gaussian processes as a prior of regression functions in function space via the kernel function, GPSR can express a wide variety of functions in a nonparametric manner while quantifying the uncertainty of the prediction. By adopting the Bayesian evidence maximization framework and a theoretical analysis of the connection between the marginal likelihood/predictive distribution of GPSR and that of standard Gaussian process regression (GPR), we derive an easy-to-implement inference algorithm for GPSR that iteratively applies GPR and updates the input-output correspondence. To reduce computation costs and obtain closed-form solutions for correspondence updates, we also develop a sparse approximate variant of GPSR using its weight space formulation, which can be seen as Bayesian shuffled linear regression with random Fourier features. Experiments on benchmark datasets confirm the effectiveness of our GPSR proposal.
Joint Nuclear and $\ell_1$ Regularization for Logistic Matrix Regression with Applications to Brain Imaging
Brzyski, Damian, Cohen, Aaron, Wang, Zijian, Dzemidzic, Mario, Kareken, David A., Harezlak, Jaroslaw
We introduce a new convex optimization framework for logistic scalar-on-matrix regression which incorporates nuclear and $\ell_1$ norm penalties to enforce simultaneously low-rank and sparse structures in the estimated coefficient matrix. The proposed method enables interpretable modeling of high-dimensional matrix-valued predictors in the presence of binary responses. We derive a custom algorithm based on the Alternating Direction Method of Multipliers (ADMM) to efficiently solve the resulting convex optimization problem and establish the theoretical properties of the obtained solution. Numerical experiments clearly demonstrate the effectiveness of our method in recovering meaningful predictive patterns. Finally, we apply our method to the brain imaging data to identify structures in functional brain connectivity matrices that are characteristic of subjects with a family history of alcohol use disorders (AUDs).
Geometric Domain Adaptation via Optimal Transport for Linear Regression in R^2
Britos, Brian, Bourel, Mathias
Optimal Transport has become recently a powerful method for domain adaptation by aligning source and target distributions. We study a supervised domain adaptation problem where source and target domains are related by a rotation or a translation or a homothety in $\mathbb{R}^2$. We prove that the optimal transport map recovers the underlying map when using a $p-$norm cost with $p \geq 2$. Based on this insight, we develop a method combining $K-$means and optimal transport to estimate the underlying map, enabling adaptation of linear regression models when target data is scarce. Simulations demonstrate improved performance over baseline methods. Rather than relying on highly expressive deep learning architectures, we focus on classical machine learning models to emphasize interpretability and theoretical insight. This perspective allows us to explicitly characterize the role of optimal transport in recovering geometric transformations such as rotations, translations, and homotheties. Our contributions include a theoretical result linking optimal transport and rotations, translations and homothecies in $\mathbb{R}^2$, and a practical method for adaptation in linear regression offering both conceptual clarity and applied value in domain adaptation tasks in this space.