Machine learning algorithms and their training datasets have grown substantially in both size and complexity over the past decade. This increased model complexity has made it challenging to interpret and predict their behavior in unobserved scenarios. Hence, many applications that involve societal decisions still rely on simple, interpretable models like linear regression, often after feature engineering. Examples of such applications include predicting national housing prices, estimating wages across industries, forecasting loan amounts across banks, predicting life insurance premiums across groups, and projecting energy consumption across communities [CGKMN24]. A shared safety and sometimes legal concern across the above applications is the potential for wildly different model qualities for different distributions, i.e., outputting a notably worse model for some source data distributions [Dat14; BS16; HPS16; VVB18; SBFVV19; BHJKR21; CGNSG23; Cho16; KLMR18; ADW19; CGKMN24; SVWZ24].

Transformer-based large models have demonstrated remarkable generalization abilities across different tasks by leveraging a context-aware attention module for in-context learning. With richer context, transformers adapt more effectively to the current use case without any parameter updates. However, the quadratic computational and memory complexity with respect to context length significantly slows data processing in softmax transformers. Linear transformers were proposed to address this issue by reducing the complexity to linear dependence on context length, but the design and understanding of the feature mapping in linear attention, from a theoretical viewpoint, remain unclear. In this paper, we investigate the approximation and generalization abilities of linear transformers under a two-staged sampling process from domain generalization. We show that linear transformers perform in-context learning as learning a mapping from context distributions to response functions. A dimension-independent convergence rate is obtained for our generalization analysis, which also exhibits the tradeoff between the regularities of data distributions and latent features. Guided by our theoretical framework, we propose a new perspective on activation and loss design for linearizing pretrained softmax large language models.

Multi-task regression aims at jointly solving multiple regression problems, called tasks. Compared to solving each task separately, better performances can be achieved as long as the tasks are sufficiently related. Full-conformal prediction is a framework that formulates a data-dependent prediction-region containing the unknown output-vector at any prescribed confidence level. However, explicit computation of this prediction-region is intractable in general since it requires training infinitely many predictors. The present work focuses on multi-task regression in a Reproducing Kernel Hilbert Space (RKHS) of vector-valued functions. This computational issue is addressed by designing an approximating predictionregion containing the full-conformal one. This construction is carried out in two scenarios: piq when the inter-task covariance-matrix is known, and piiq when this matrix is estimated. In terms of volume, the tightness of this approximation is assessed theoretically by means of an upper-bound in the first scenario. It is also empirically proved to improve upon the split-conformal prediction on synthetic data in both scenarios.

We develop a framework for analyzing the learning dynamics of $\ell_2$-adversarial training of single-index models on Gaussian mixtures in the high-dimensional limit under streaming stochastic gradient descent (SGD). We derive deterministic equivalents for a broad class of statistics of the SGD iterates, including the adversarial risk and distance to adversarial optimality, in terms of the solution to a system of ODEs. We use them to study two idealized learning rate schedules: the Polyak stepsize and exact line search. In the case of $\ell_2$-adversarial least squares with a single class, we show that, unlike noiseless standard least squares, no constant learning rate guarantees monotone descent of SGD towards a minimizer of the adversarial risk. We identify anisotropic covariance and a mismatch in ridge parameters as the main sources of suboptimality of exact line search relative to the Polyak stepsize. We also introduce a stochastic differential equation (SDE), called adversarial homogenized SGD, that captures the evolution of statistics of the iterates of SGD. For $\ell_2$-adversarial least squares, using this SDE, we show the evolution of the risk is equivalent, up to dimension-free constants, to that of SGD on standard least squares with an adaptive learning rate and adaptive $\ell_2$-regularization. When the dynamics converge, the limiting adversarial risk and SGD iterate are determined by a fixed-point equation, with the limiting iterate being equivalent to the solution of a ridge regression problem whose regularization parameter is the limiting effective regularization of SGD.

Deep neural networks (DNNs) frequently fail to generalize to out-of-distribution (OOD) medical images because of variations in scanners and acquisition protocols. Retraining DNN models to address these distribution shifts is often impractical due to the high cost of acquiring and annotating new medical datasets. To address this, we introduce VarDeepPCA, a novel lightweight variational DNN framework designed to restore/refine degraded segmentation maps by leveraging intrinsic geometric priors. Unlike existing approaches that require target-domain data or extensive pre-training, our VarDeepPCA explicitly learns a distribution of valid anatomical geometries using only small in-distribution (ID) datasets. Theoretically, our novel variational learning framework leverages a reinterpretation of the softmax mapping to implicitly perform exact distribution modeling, thereby enabling computationally efficient, sampling-free learning and inference. This also enables VarDeepPCA to provide uncertainty estimates associated with its restored segmentation maps. We empirically validate our framework across 4 distinct clinical applications, using 14 publicly available datasets, involving segmentation of the myocardium, neuroretinal rim, prostate, and fetal head. Comparisons against 15 existing methods demonstrate that VarDeepPCA consistently restores segmentation maps produced by the existing methods on OOD data to (i) significantly improve anatomical plausibility of geometries and clinical utility of the segmentations, and (ii) significantly reduce errors, without needing any more training data than that used by existing methods.

Safety classifiers deployed in production operate under a stationarity assumption that fails silently: when input distributions drift, accuracy degrades with no error signal until ground-truth labels arrive. We present an online monitor that detects distributional shift in classifier scores via a sliding-window KS statistic with empirically calibrated alarm thresholds. In a pre-registered factorial evaluation (4 classifiers $\times$ 5 shift conditions $\times$ 20 seeds $\times$ 2 window sizes; 800 cells), the monitor achieves 86.6% valid detection (mean latency 39.5 steps) across synthetic-onset, real-jailbreak, and adversarial regimes; a classifier $\times$ shift interaction ($η^2 = 0.185$) shows that monitoring must be tuned per classifier. Attempting to recover post-detection coverage via weighted conformal prediction exposes a failure mode: density-ratio estimation collapses for generative classifiers because logistic regression separates source from target perfectly in 3584-4096-dimensional embedding space, clipping all importance weights to zero; projecting to $\leq 32$ dimensions restores coverage. We then extend the framework to gradient-based evasion and give the first threat-model characterisation of score-disagreement monitoring as a canary. We falsify three assumptions: that architectural diversity drives the signal (false, $η^2 = 0.011$), that it is generic out-of-distribution detection (false, GCG-specific, $p < 10^{-12}$), and that an adaptive attacker can suppress it (false while the canary is confident). We derive the exact security boundary, a confidence-gated equilibrium at which a monitor-aware attacker stalls at gap $= 1/(2λ)$, and provide a calibration-free scan martingale achieving false-alarm rate $\leq 1\%$ across all classifiers with no per-model tuning.

Stochastic Gradient Descent ($\textsf{SGD}$) is one of the most classical optimization algorithms with favorable theoretical guarantees, yet the practical implementation of $\textsf{SGD}$ differs subtly from its well-known form and is often referred to as Shuffling Stochastic Gradient Descent ($\textsf{Shuffling SGD}$). A particularly popular strategy in $\textsf{Shuffling SGD}$ is Random Reshuffling ($\textsf{RR}$), which has achieved great empirical success across numerous experiments. Despite its strong performance, $\textsf{RR}$ has long been considered a heuristic due to a lack of theoretical support. Over the last decade, people have finally established provable convergence rates for $\textsf{RR}$, thus justifying its observed superiority. However, for smooth convex optimization, two clouds over the convergence theory of $\textsf{RR}$ remain to this day. More precisely, according to the current theory, $\textsf{Shuffling SGD}$ under $\textsf{RR}$ converges only when the stepsize is smaller than a threshold proportional to $1/n$, where $n$ is the number of summands in the objective (or the number of data points). Consequently, the optimally tuned theoretical rate of $\textsf{Shuffling SGD}$ under $\textsf{RR}$ is strictly worse than that of $\textsf{SGD}$ when the number of epochs is smaller than another threshold proportional to $n$. These two restrictions heavily limit the applicability of existing theories and leave a critical mismatch with practice. In this work, for the first time, we prove that $\textsf{RR}$ dominates $\textsf{SGD}$ in smooth convex optimization under any reasonable stepsize after any finite number of epochs, thereby addressing a longstanding open question.

While conformal prediction provides a general framework for uncertainty quantification in predictive inference, its application is often limited by computational cost. Recent methods, including Jackknife+ and Jackknife-minmax, achieve faster computation by trading a slight loss of efficiency relative to full conformal prediction, but still requires computing leave-one-out refits for all observations. In this paper, we further accelerate conformal prediction by incorporating approximate leave-one-out (ALO) estimators, and establish asymptotic coverage and efficiency. While our proof draws on methods developed for analyzing the consistency of ALO cross-validation risk estimators in high-dimensional statistics, it requires adaptations to handle conformal prediction, where leave-$i$-out residuals are needed for predictions at $x_{n+1}$ rather than just at the training covariate $x_i$. Simulation results validate our theoretical findings, showing that the ALO-based methods achieve coverage and efficiency comparable to the exact methods, while significantly reducing the runtime.

Conformal prediction and its variants, including the split conformal prediction, provide a distribution-free framework for uncertainty quantification by constructing prediction intervals or sets with finite-sample coverage guarantees. The statistical efficiency of these intervals depends critically on how the data are split into training and calibration samples. Despite its practical importance, a principled characterization of the training-calibration split that minimizes prediction interval length while maintaining coverage has remained largely unresolved. In this paper, we develop a theoretical framework for optimal data splitting in split conformal prediction. We first analyze the problem in a general setting and derive analytical characterizations of the length-optimal split ratio under both symmetric and asymmetric regimes. We then show how the general results specialize to several commonly used regression settings, including linear regression, nonparametric regression, and neural networks, thereby demonstrating the scope of the framework. We also describe a data-based method for selecting the optimal proportion. Our analysis clarifies how model-related features govern the optimal allocation of samples between training and calibration and provides principled guidance for constructing shorter prediction intervals. Experiments on both synthetic and real-world datasets demonstrate the applicability of the proposed methodology across a variety of practical scenarios.

A growing number of techniques leverage the spatial structures that underlie many real-world datasets. Despite these advances, the complementary task of estimating spatial structures and understanding their role within these techniques has often been overlooked. In neurophysiological data analysis specifically, numerous methods exist to estimate brain connectivity, but most are not explicitly model-based, dynamic, multivariate, or directed. To address these limitations, we previously introduced noise-driven heat modelling on graphs for neurophysiological connectivity estimation. In this study, we extend this framework by relaxing earlier noise assumptions and adding regularisation to improve robustness. We also develop a simulation procedure to characterise and evaluate our technique in a controlled setting. Finally, we demonstrate that the technique is able to capture meaningful spatial structure across two experiments, each using two real-world datasets. The explicit model formulation of our connectivity estimator has the potential to improve the interpretability of graph-based techniques across a wide range of applications. The code implementing our method is available at https://github.com/sgoerttler/Heat_Connectivity.