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 Statistical Learning


Auditing Fairness under Model Updates: Fundamental Complexity and Property-Preserving Updates

arXiv.org Machine Learning

As machine learning models become increasingly embedded in societal infrastructure, auditing them for bias is of growing importance. However, in real-world deployments, auditing is complicated by the fact that model owners may adaptively update their models in response to changing environments, such as financial markets. These updates can alter the underlying model class while preserving certain properties of interest, raising fundamental questions about what can be reliably audited under such shifts. In this work, we study group fairness auditing under arbitrary updates. We consider general shifts that modify the pre-audit model class while maintaining invariance of the audited property. Our goals are two-fold: (i) to characterize the information complexity of allowable updates, by identifying which strategic changes preserve the property under audit; and (ii) to efficiently estimate auditing properties, such as group fairness, using a minimal number of labeled samples. We propose a generic framework for PAC auditing based on an Empirical Property Optimization (EPO) oracle. For statistical parity, we establish distribution-free auditing bounds characterized by the SP dimension, a novel combinatorial measure that captures the complexity of admissible strategic updates. Finally, we demonstrate that our framework naturally extends to other auditing objectives, including prediction error and robust risk.


What Functions Does XGBoost Learn?

arXiv.org Machine Learning

This paper establishes a rigorous theoretical foundation for the function class implicitly learned by XGBoost, bridging the gap between its empirical success and our theoretical understanding. We introduce an infinite-dimensional function class $\mathcal{F}^{d, s}_{\infty-\text{ST}}$ that extends finite ensembles of bounded-depth regression trees, together with a complexity measure $V^{d, s}_{\infty-\text{XGB}}(\cdot)$ that generalizes the $L^1$ regularization penalty used in XGBoost. We show that every optimizer of the XGBoost objective is also an optimizer of an equivalent penalized regression problem over $\mathcal{F}^{d, s}_{\infty-\text{ST}}$ with penalty $V^{d, s}_{\infty-\text{XGB}}(\cdot)$, providing an interpretation of XGBoost as implicitly targeting a broader function class. We also develop a smoothness-based interpretation of $\mathcal{F}^{d, s}_{\infty-\text{ST}}$ and $V^{d, s}_{\infty-\text{XGB}}(\cdot)$ in terms of Hardy--Krause variation. We prove that the least squares estimator over $\{f \in \mathcal{F}^{d, s}_{\infty-\text{ST}}: V^{d, s}_{\infty-\text{XGB}}(f) \le V\}$ achieves a nearly minimax-optimal rate of convergence $n^{-2/3} (\log n)^{4(\min(s, d) - 1)/3}$, thereby avoiding the curse of dimensionality. Our results provide the first rigorous characterization of the function space underlying XGBoost, clarify its connection to classical notions of variation, and identify an important open problem: whether the XGBoost algorithm itself achieves minimax optimality over this class.


Multi-Group Quadratic Discriminant Analysis via Projection

arXiv.org Machine Learning

Multi-group classification arises in many prediction and decision-making problems, including applications in epidemiology, genomics, finance, and image recognition. Although classification methods have advanced considerably, much of the literature focuses on binary problems, and available extensions often provide limited flexibility for multi-group settings. Recent work has extended linear discriminant analysis to multiple groups, but more general methods are still needed to handle complex structures such as nonlinear decision boundaries and group-specific covariance patterns. We develop Multi-Group Quadratic Discriminant Analysis (MGQDA), a method for multi-group classification built on quadratic discriminant analysis. MGQDA projects high-dimensional predictors onto a lower-dimensional subspace, which enables accurate classification while capturing nonlinearity and heterogeneity in group-specific covariance structures. We derive theoretical guarantees, including variable selection consistency, to support the reliability of the procedure. In simulations and a gene-expression application, MGQDA achieves competitive or improved predictive performance compared with existing methods while selecting group-specific informative variables, indicating its practical value for high-dimensional multi-group classification problems. Supplementary materials for this article are available online.


A Bayesian Generative Modeling Approach for Arbitrary Conditional Inference

arXiv.org Machine Learning

Modern data analysis increasingly requires flexible conditional inference P(X_B | X_A) where (X_A, X_B) is an arbitrary partition of observed variable X. Existing conditional inference methods lack this flexibility as they are tied to a fixed conditioning structure and cannot perform new conditional inference once trained. To solve this, we propose a Bayesian generative modeling (BGM) approach for arbitrary conditional inference without retraining. BGM learns a generative model of X through an iterative Bayesian updating algorithm where model parameters and latent variables are updated until convergence. Once trained, any conditional distribution can be obtained without retraining. Empirically, BGM achieves superior prediction performance with well calibrated predictive intervals, demonstrating that a single learned model can serve as a universal engine for conditional prediction with uncertainty quantification. We provide theoretical guarantees for the convergence of the stochastic iterative algorithm, statistical consistency and conditional-risk bounds. The proposed BGM framework leverages the power of AI to capture complex relationships among variables while adhering to Bayesian principles, emerging as a promising framework for advancing various applications in modern data science. The code for BGM is freely available at https://github.com/liuq-lab/bayesgm.


Generalized Canonical Polyadic Tensor Decompositions with General Symmetry

arXiv.org Machine Learning

Canonical Polyadic (CP) tensor decomposition is a workhorse algorithm for discovering underlying low-dimensional structure in tensor data. This is accomplished in conventional CP decomposition by fitting a low-rank tensor to data with respect to the least-squares loss. Generalized CP (GCP) decompositions generalize this approach by allowing general loss functions that can be more appropriate, e.g., to model binary and count data or to improve robustness to outliers. However, GCP decompositions do not explicitly account for any symmetry in the tensors, which commonly arises in modern applications. For example, a tensor formed by stacking the adjacency matrices of a dynamic graph over time will naturally exhibit symmetry along the two modes corresponding to the graph nodes. In this paper, we develop a symmetric GCP (SymGCP) decomposition that allows for general forms of symmetry, i.e., symmetry along any subset of the modes. SymGCP accounts for symmetry by enforcing the corresponding symmetry in the decomposition. We derive gradients for SymGCP that enable its efficient computation via all-at-once optimization with existing tensor kernels. The form of the gradients also leads to various stochastic approximations that enable us to develop stochastic SymGCP algorithms that can scale to large tensors. We demonstrate the utility of the proposed SymGCP algorithms with a variety of experiments on both synthetic and real data.


Disordered Dynamics in High Dimensions: Connections to Random Matrices and Machine Learning

arXiv.org Machine Learning

We provide an overview of high dimensional dynamical systems driven by random matrices, focusing on applications to simple models of learning and generalization in machine learning theory. Using both cavity method arguments and path integrals, we review how the behavior of a coupled infinite dimensional system can be characterized as a stochastic process for each single site of the system. We provide a pedagogical treatment of dynamical mean field theory (DMFT), a framework that can be flexibly applied to these settings. The DMFT single site stochastic process is fully characterized by a set of (two-time) correlation and response functions. For linear time-invariant systems, we illustrate connections between random matrix resolvents and the DMFT response. We demonstrate applications of these ideas to machine learning models such as gradient flow, stochastic gradient descent on random feature models and deep linear networks in the feature learning regime trained on random data. We demonstrate how bias and variance decompositions (analysis of ensembling/bagging etc) can be computed by averaging over subsets of the DMFT noise variables. From our formalism we also investigate how linear systems driven with random non-Hermitian matrices (such as random feature models) can exhibit non-monotonic loss curves with training time, while Hermitian matrices with the matching spectra do not, highlighting a different mechanism for non-monotonicity than small eigenvalues causing instability to label noise. Lastly, we provide asymptotic descriptions of the training and test loss dynamics for randomly initialized deep linear neural networks trained in the feature learning regime with high-dimensional random data. In this case, the time translation invariance structure is lost and the hidden layer weights are characterized as spiked random matrices.


Learning Mixture Models via Efficient High-dimensional Sparse Fourier Transforms

arXiv.org Machine Learning

In this work, we give a ${\rm poly}(d,k)$ time and sample algorithm for efficiently learning the parameters of a mixture of $k$ spherical distributions in $d$ dimensions. Unlike all previous methods, our techniques apply to heavy-tailed distributions and include examples that do not even have finite covariances. Our method succeeds whenever the cluster distributions have a characteristic function with sufficiently heavy tails. Such distributions include the Laplace distribution but crucially exclude Gaussians. All previous methods for learning mixture models relied implicitly or explicitly on the low-degree moments. Even for the case of Laplace distributions, we prove that any such algorithm must use super-polynomially many samples. Our method thus adds to the short list of techniques that bypass the limitations of the method of moments. Somewhat surprisingly, our algorithm does not require any minimum separation between the cluster means. This is in stark contrast to spherical Gaussian mixtures where a minimum $\ell_2$-separation is provably necessary even information-theoretically [Regev and Vijayaraghavan '17]. Our methods compose well with existing techniques and allow obtaining ''best of both worlds" guarantees for mixtures where every component either has a heavy-tailed characteristic function or has a sub-Gaussian tail with a light-tailed characteristic function. Our algorithm is based on a new approach to learning mixture models via efficient high-dimensional sparse Fourier transforms. We believe that this method will find more applications to statistical estimation. As an example, we give an algorithm for consistent robust mean estimation against noise-oblivious adversaries, a model practically motivated by the literature on multiple hypothesis testing. It was formally proposed in a recent Master's thesis by one of the authors, and has already inspired follow-up works.


ROOFS: RObust biOmarker Feature Selection

arXiv.org Machine Learning

Feature selection (FS) is essential for biomarker discovery and in the analysis of biomedical datasets. However, challenges such as high-dimensional feature space, low sample size, multicollinearity, and missing values make FS non-trivial. Moreover, FS performances vary across datasets and predictive tasks. We propose roofs, a Python package available at https://gitlab.inria.fr/compo/roofs, designed to help researchers in the choice of FS method adapted to their problem. Roofs benchmarks multiple FS methods on the user's data and generates reports that summarize a comprehensive set of evaluation metrics, including downstream predictive performance estimated using optimism correction, stability, reliability of individual features, and true positive and false positive rates assessed on semi-synthetic data with a simulated outcome. We demonstrate the utility of roofs on data from the PIONeeR clinical trial, aimed at identifying predictors of resistance to anti-PD-(L)1 immunotherapy in lung cancer. The PIONeeR dataset contained 374 multi-source blood and tumor biomarkers from 435 patients. A reduced subset of 214 features was obtained through iterative variance inflation factor pre-filtering. Of the 34 FS methods gathered in roofs, we evaluated 23 in combination with 11 classifiers (253 models in total) and identified a filter based on the union of Benjamini-Hochberg false discovery rate-adjusted p-values from t-test and logistic regression as the optimal approach, outperforming other methods including the widely used LASSO. We conclude that comprehensive benchmarking with roofs has the potential to improve the robustness and reproducibility of FS discoveries and increase the translational value of clinical models.


Estimating Causal Effects in Gaussian Linear SCMs with Finite Data

arXiv.org Machine Learning

Estimating causal effects from observational data remains a fundamental challenge in causal inference, especially in the presence of latent confounders. This paper focuses on estimating causal effects in Gaussian Linear Structural Causal Models (GL-SCMs), which are widely used due to their analytical tractability. However, parameter estimation in GL-SCMs is often infeasible with finite data, primarily due to overparameterization. To address this, we introduce the class of Centralized Gaussian Linear SCMs (CGL-SCMs), a simplified yet expressive subclass where exogenous variables follow standardized distributions. We show that CGL-SCMs are equally expressive in terms of causal effect identifiability from observational distributions and present a novel EM-based estimation algorithm that can learn CGL-SCM parameters and estimate identifiable causal effects from finite observational samples. Our theoretical analysis is validated through experiments on synthetic data and benchmark causal graphs, demonstrating that the learned models accurately recover causal distributions.


Forecasting the U.S. Treasury Yield Curve: A Distributionally Robust Machine Learning Approach

arXiv.org Machine Learning

We study U.S. Treasury yield curve forecasting under distributional uncertainty and recast forecasting as an operations research and managerial decision problem. Rather than minimizing average forecast error, the forecaster selects a decision rule that minimizes worst case expected loss over an ambiguity set of forecast error distributions. To this end, we propose a distributionally robust ensemble forecasting framework that integrates parametric factor models with high dimensional nonparametric machine learning models through adaptive forecast combinations. The framework consists of three machine learning components. First, a rolling window Factor Augmented Dynamic Nelson Siegel model captures level, slope, and curvature dynamics using principal components extracted from economic indicators. Second, Random Forest models capture nonlinear interactions among macro financial drivers and lagged Treasury yields. Third, distributionally robust forecast combination schemes aggregate heterogeneous forecasts under moment uncertainty, penalizing downside tail risk via expected shortfall and stabilizing second moment estimation through ridge regularized covariance matrices. The severity of the worst case criterion is adjustable, allowing the forecaster to regulate the trade off between robustness and statistical efficiency. Using monthly data, we evaluate out of sample forecasts across maturities and horizons from one to twelve months ahead. Adaptive combinations deliver superior performance at short horizons, while Random Forest forecasts dominate at longer horizons. Extensions to global sovereign bond yields confirm the stability and generalizability of the proposed framework.