Reliable estimation of feature contributions in machine learning models is essential for trust, transparency and regulatory compliance, especially when models are proprietary or otherwise operate as black boxes. While permutation-based methods are a standard tool for this task, classical implementations rely on repeated random permutations, introducing computational overhead and stochastic instability. In this paper, we show that by replacing multiple random permutations with a single, deterministic, and optimal permutation, we achieve a method that retains the core principles of permutation-based importance while being non-random, faster, and more stable. We validate this approach across nearly 200 scenarios, including real-world household finance and credit risk applications, demonstrating improved bias-variance tradeoffs and accuracy in challenging regimes such as small sample sizes, high dimensionality, and low signal-to-noise ratios. Finally, we introduce Systemic Variable Importance, a natural extension designed for model stress-testing that explicitly accounts for feature correlations. This framework provides a transparent way to quantify how shocks or perturbations propagate through correlated inputs, revealing dependencies that standard variable importance measures miss. Two real-world case studies demonstrate how this metric can be used to audit models for hidden reliance on protected attributes (e.g., gender or race), enabling regulators and practitioners to assess fairness and systemic risk in a principled and computationally efficient manner.

One of the most efficient methods to solve L2 -regularized primal problems, such as logistic regression and linear support vector machine (SVM) classification, is the widely used trust region Newton algorithm, TRON. While TRON has recently been shown to enjoy substantial speedups on shared-memory multi-core systems, exploiting graphical processing units (GPUs) to speed up the method is significantly more difficult, owing to the highly complex and heavily sequential nature of the algorithm. In this work, we show that using judicious GPU-optimization principles, TRON training time for different losses and feature representations may be drastically reduced. For sparse feature sets, we show that using GPUs to train logistic regression classifiers in LIBLINEAR is up to an order-of-magnitude faster than solely using multithreading. For dense feature sets-which impose far more stringent memory constraints-we show that GPUs substantially reduce the lengthy SVM learning times required for state-of-the-art proteomics analysis, leading to dramatic improvements over recently proposed speedups. Furthermore, we show how GPU speedups may be mixed with multithreading to enable such speedups when the dataset is too large for GPU memory requirements; on a massive dense proteomics dataset of nearly a quarter-billion data instances, these mixed-architecture speedups reduce SVM analysis time from over half a week to less than a single day while using limited GPU memory.

We theoretically analyze the typical learning performance of $\ell_{1}$-regularized linear regression ($\ell_1$-LinR) for Ising model selection using the replica method from statistical mechanics. For typical random regular graphs in the paramagnetic phase, an accurate estimate of the typical sample complexity of $\ell_1$-LinR is obtained. Remarkably, despite the model misspecification, $\ell_1$-LinR is model selection consistent with the same order of sample complexity as $\ell_{1}$-regularized logistic regression ($\ell_1$-LogR), i.e., $M=\mathcal{O}\left(\log N\right)$, where $N$ is the number of variables of the Ising model. Moreover, we provide an efficient method to accurately predict the non-asymptotic behavior of $\ell_1$-LinR for moderate $M, N$, such as precision and recall. Simulations show a fairly good agreement between theoretical predictions and experimental results, even for graphs with many loops, which supports our findings. Although this paper mainly focuses on $\ell_1$-LinR, our method is readily applicable for precisely characterizing the typical learning performances of a wide class of $\ell_{1}$-regularized $M$-estimators including $\ell_1$-LogR and interaction screening.

We study fast algorithms for statistical regression problems under the strong contamination model, where the goal is to approximately optimize a generalized linear model (GLM) given adversarially corrupted samples. Prior works in this line of research were based on the \emph{robust gradient descent} framework of \cite{PrasadSBR20}, a first-order method using biased gradient queries, or the \emph{Sever} framework of \cite{DiakonikolasKK019}, an iterative outlier-removal method calling a stationary point finder. We present nearly-linear time algorithms for robust regression problems with improved runtime or estimation guarantees compared to the state-of-the-art. For the general case of smooth GLMs (e.g.\ logistic regression), we show that the robust gradient descent framework of \cite{PrasadSBR20} can be \emph{accelerated}, and show our algorithm extends to optimizing the Moreau envelopes of Lipschitz GLMs (e.g.\ support vector machines), answering several open questions in the literature. For the well-studied case of robust linear regression, we present an alternative approach obtaining improved estimation rates over prior nearly-linear time algorithms. Interestingly, our algorithm starts with an identifiability proof introduced in the context of the sum-of-squares algorithm of \cite{BakshiP21}, which achieved optimal error rates while requiring large polynomial runtime and sample complexity. We reinterpret their proof within the Sever framework and obtain a dramatically faster and more sample-efficient algorithm under fewer distributional assumptions.

Explainable machine learning aims to strike a balance between prediction accuracy and model transparency, particularly in settings where black-box predictive models, such as deep neural networks or kernel-based methods, achieve strong empirical performance but remain difficult to interpret. This work introduces a mixture of generalized additive models (GAMs) in which random Fourier feature (RFF) representations are leveraged to uncover locally adaptive structure in the data. In the proposed method, an RFF-based embedding is first learned and then compressed via principal component analysis. The resulting low-dimensional representations are used to perform soft clustering of the data through a Gaussian mixture model. These cluster assignments are then applied to construct a mixture-of-GAMs framework, where each local GAM captures nonlinear effects through interpretable univariate smooth functions. Numerical experiments on real-world regression benchmarks, including the California Housing, NASA Airfoil Self-Noise, and Bike Sharing datasets, demonstrate improved predictive performance relative to classical interpretable models. Overall, this construction provides a principled approach for integrating representation learning with transparent statistical modeling.

The design of efficient nonparametric estimators has long been a central problem in statistics, machine learning, and decision making. Classical optimal procedures often rely on strong structural assumptions, which can be misspecified in practice and complicate deployment. This limitation has sparked growing interest in structure-agnostic approaches -- methods that debias black-box nuisance estimates without imposing structural priors. Understanding the fundamental limits of these methods is therefore crucial. This paper provides a systematic investigation of the optimal error rates achievable by structure-agnostic estimators. We first show that, for estimating the average treatment effect (ATE), a central parameter in causal inference, doubly robust learning attains optimal structure-agnostic error rates. We then extend our analysis to a general class of functionals that depend on unknown nuisance functions and establish the structure-agnostic optimality of debiased/double machine learning (DML). We distinguish two regimes -- one where double robustness is attainable and one where it is not -- leading to different optimal rates for first-order debiasing, and show that DML is optimal in both regimes. Finally, we instantiate our general lower bounds by deriving explicit optimal rates that recover existing results and extend to additional estimands of interest. Our results provide theoretical validation for widely used first-order debiasing methods and guidance for practitioners seeking optimal approaches in the absence of structural assumptions. This paper generalizes and subsumes the ATE lower bound established in \citet{jin2024structure} by the same authors.

Quantifying predictive uncertainty is essential for safe and trustworthy real-world AI deployment. Yet, fully nonparametric estimation of conditional distributions remains challenging for multivariate targets. We propose Tomographic Quantile Forests (TQF), a nonparametric, uncertainty-aware, tree-based regression model for multivariate targets. TQF learns conditional quantiles of directional projections $\mathbf{n}^{\top}\mathbf{y}$ as functions of the input $\mathbf{x}$ and the unit direction $\mathbf{n}$. At inference, it aggregates quantiles across many directions and reconstructs the multivariate conditional distribution by minimizing the sliced Wasserstein distance via an efficient alternating scheme with convex subproblems. Unlike classical directional-quantile approaches that typically produce only convex quantile regions and require training separate models for different directions, TQF covers all directions with a single model without imposing convexity restrictions. We evaluate TQF on synthetic and real-world datasets, and release the source code on GitHub.

The double machine learning (DML) method combines the predictive power of machine learning with statistical estimation to conduct inference about the structural parameter of interest. This paper presents the R package `xtdml`, which implements DML methods for partially linear panel regression models with low-dimensional fixed effects, high-dimensional confounding variables, proposed by Clarke and Polselli (2025). The package provides functionalities to: (a) learn nuisance functions with machine learning algorithms from the `mlr3` ecosystem, (b) handle unobserved individual heterogeneity choosing among first-difference transformation, within-group transformation, and correlated random effects, (c) transform the covariates with min-max normalization and polynomial expansion to improve learning performance. We showcase the use of `xtdml` with both simulated and real longitudinal data.

Classical statistical learning theory predicts a U-shaped relationship between test loss and model capacity, driven by the bias-variance trade-off. Recent advances in modern machine learning have revealed a more complex pattern, \textit{double-descent}, in which test loss, after peaking near the interpolation threshold, decreases again as model capacity continues to grow. While this behavior has been extensively analyzed in regression and classification, its manifestation in survival analysis remains unexplored. This study investigates overparametrization in four representative survival models: DeepSurv, PC-Hazard, Nnet-Survival, and N-MTLR. We rigorously define \textit{interpolation} and \textit{finite-norm interpolation}, two key characteristics of loss-based models to understand \textit{double-descent}. We then show the existence (or absence) of \textit{(finite-norm) interpolation} of all four models. Our findings clarify how likelihood-based losses and model implementation jointly determine the feasibility of \textit{interpolation} and show that overparametrization should not be regarded as benign for survival models. All theoretical results are supported by numerical experiments that highlight the distinct generalization behaviors of survival models.

We propose a conformal prediction method for constructing tight simultaneous prediction intervals for multiple, potentially related, numerical outputs given a single input. This method can be combined with any multi-target regression model and guarantees finite-sample coverage. It is computationally efficient and yields informative prediction intervals even with limited data. The core idea is a novel \emph{coordinate-wise} standardization procedure that makes residuals across output dimensions directly comparable, estimating suitable scaling parameters using the calibration data themselves. This does not require modeling of cross-output dependence nor auxiliary sample splitting. Implementing this idea requires overcoming technical challenges associated with transductive or full conformal prediction. Experiments on simulated and real data demonstrate this method can produce tighter prediction intervals than existing baselines while maintaining valid simultaneous coverage.