Statistical Learning
How AI settled the complexity of the oldest SGD algorithm
Dereziński, Michał, Dong, Xiaoyu
An essential catalyst for the remarkable breakthroughs in AI that led to the modern large language models (LLMs) such as ChatGPT and Gemini has been the algorithms used to train these models on massive datasets. While the LLM architectures have gotten progressively more complex, the training algorithms have stayed relatively simple, and in fact, they have all been based on the decades-old paradigm of stochastic gradient descent (SGD). The key idea behind SGD is that in order to minimize a certain objective function (such as an LLM's error on the training data), it suffices to access only a noisy estimate of that objective at any given time (e.g., based on a small sample of the data) while making incremental progress towards the solution. This is essential for LLM training, as the datasets have become so massive one could not hope to perform computations on everything all at once. Commonly attributed to a 1951 paper by Robbins and Monro [34], SGD has seen a resurgence of interest over the last 20 years by AI researchers and computer scientists striving to understand its effectiveness, leading to numerous variants and extensions used in modern LLMs [12, 9], most notably the Adam algorithm [25]. As a result, we have gained a robust mathematical understanding of the computational complexity of SGD algorithms in a wide range of settings (e.g., see [11, 15, 5, 17]). Yet, despite this progress there is a surprising gap in the understanding of SGD: The complexity of an algorithm proposed by Stefan Kaczmarz in 1937 [24] for solving a system of linear equations - the oldest published example of an SGD algorithm, which predates Robbins and Monro's paper by over a decade - has not been settled.
Adaptive Iterative Hard Thresholding for Online High-dimensional Quantile Regression
Online high-dimensional regression requires algorithms that can update sequentially while preserving structural sparsity. We propose \textit{Adaptive Iterative Hard Thresholding (AIHT)}, an online sparse-regression framework that alternates stochastic subgradient updates with adaptively scheduled hard-thresholding steps. The key idea is to separate support discovery from local refinement: early in the learning process, AIHT delays thresholding so that weak but informative coordinates have time to accumulate signal, while later it increases the projection frequency to stabilize the sparse estimator and exploit local curvature. We develop the theory for high-dimensional online quantile regression, a challenging setting in which the loss is nonsmooth and the data may exhibit heterogeneity or heavy-tailed noise. Under restricted curvature and gradient-leakage conditions, AIHT remains in an inflated sparse cone, exhibits a two-phase convergence behavior, and attains logarithmic regret for the sliding-window objective. Simulations for online quantile regression, together with threshold-scheduling ablations, support the proposed mechanism and illustrate its advantage over standard online sparse-learning baselines.
Testing hypotheses via orthogonalization
Dharamshi, Ameer, Zou, Runjia, Witten, Daniela
Classical hypothesis testing frameworks break down in contemporary settings in which null hypotheses are increasingly abstract, the same data are used to both generate and test hypotheses, and minimal assumptions about the underlying data are made. In this work, we propose a new framework for conducting valid hypothesis tests in broad contexts. We propose to add and subtract external noise generated from a symmetric shift-family to our data, $X$, to partition it into two pieces, $X^{(1)}$ and $X^{(2)}$. We provide a generic strategy for orthogonalizing $X^{(2)}$ against $X^{(1)}$ under the null hypothesis $H_0$, then show that testing whether the orthogonalization was successful provides a valid test of $H_0$ under mild assumptions. Remarkably, this framework extends naturally to the post-selection inference setting: we simply select a hypothesis on $X^{(1)}$, then perform orthogonalization under the selected null. As our approach neither requires pre-specification of the selection mechanism, nor is restricted to a small class of data-generating distributions, it dramatically expands the settings for which valid post-selection inference can be conducted. We showcase the flexibility of our proposal in several case studies involving challenging pre-specified null hypotheses and post-selection inference scenarios.
Optimizer Memory Makes Shuffle Order a First-Order Source of Fine-Tuning Noise
Shuffle order can be a larger source of fine-tuning noise than a memoryless analysis predicts: fixed-clock optimizer memory makes local equal-multiset contrasts first order in the learning rate rather than second order, and the resulting order channel can be large enough for a single seed to flip a close A/B comparison. We isolate this mechanism and derive a fit-free way to size the noise it produces. For a memoryless optimizer, reordering an equal multiset has no first-order endpoint term; the leading local contrast is the $O(η^2)$ gradient bracket. Fixed-clock optimizers such as AdamW are different. Their moment buffers, preconditioner state, and de-biasing counters advance with the step index rather than with the learning-rate-scaled time $τ=ηk$, so the same gradient can receive a position-dependent endpoint weight. For any fixed finite measurement window, a lifted-state expansion gives an $O(η)$ equal-multiset contrast whenever the first-order replay coefficient is nonzero, while regular and clock-matched controls remain $O(η^2)$; a bare fixed-$β$ momentum buffer is already enough. A bitwise-deterministic replay from one warmed optimizer state isolates the mechanism, giving order-variance slopes 1.83 for AdamW, 2.00 for fixed-$β$ momentum, and 4.00 for SGD; matching the memory clock to $τ$ restores the regular exponent. For AdamW with a frozen preconditioner, the same impulse-weight kernel gives a closed-form asymptotic order-variance floor after the local potentials are measured, with no fitted coefficients. The result is local to the measurement window (independent reshuffling can average the channel across windows), but it yields order-noise error bars, positional attribution weights, and a seed-budget criterion for fine-tuning comparisons.
A Mathematical Optimization Approach for Expert-Informed Bayesian Best Subset Selection
Alexander, Nolan, Mortveit, Henning
A central challenge in statistical modeling is identifying the subset of features that belong in the true regression model. The classical best subset selection problem, recently made tractable via mixed-integer optimization (MIO), finds the globally optimal sparse solution. It does not, however, make use of any information beyond the observed data. In many applied settings, domain experts can meaningfully rank or score the relevance of candidate predictors, yet no existing framework integrates such probabilistic expert assessments directly into the best-subsets objective. This paper presents Expert-Implied Bayesian Best Subsets (EBBS), a method that incorporates domain-expert probability estimates of feature relevance into the MIO best-subsets problem through a maximum a posteriori (MAP) framework. Expert views from multiple respondents are aggregated into a single prior probability per feature using the Poisson binomial distribution for marginal probability estimates, the pairwise win rate for pairwise comparisons, or the normalized mean rank for ordinal rankings. This probability enters the objective function as a log-odds penalty term that smoothly encourages or discourages the selection of each feature consistent with the expert consensus. This paper provides analytic derivations of the MAP formulation and characterizes its theoretical properties. The proposed model reduces to Best Subsets when experts all have no views. Empirical results on synthetic and real datasets are forthcoming.
spca: An R package to Compute Least Squares Sparse Principal Components
This paper introduces the R package spca, which provides a computational framework for least squares sparse principal component analysis (LS-SPCA). Unlike other SPCA methods, LS-SPCA generates uncorrelated sparse principal components (sPCs) that effectively maximize the explained variance while maintaining strong correlations with standard principal components (PCs). The framework also includes more computationally efficient variants that produce mildly correlated sPCs, which often have lower cardinality while explaining equal or greater variance than the LS-SPCA optimal sPCs. The spca package is built on an efficient C++ backend for matrix computations, with distinct engines for tall and fat matrices, and a flexible R frontend. The user interface offers several options for computing sPCs, such as deciding whether sparsification should stop when a threshold for cumulative variance explained or R2 with the PCs is reached, and choosing between simple forward selection, stepwise forward selection, or backward elimination for variable selection. In addition to the print(), summary(), and plot() methods, the package includes tools for comparing different "spca" solutions, grouping sparse loadings, and representing foreign SPCA solutions as "spca" objects. This article demonstrates with real datasets the use of the package in a typical LS-SPCA workflow and briefly contrasts LS-SPCA with conventional SPCA solutions . Then it compares different LS-SPCA solutions obtained from the dataset. Finally, the performance of spca on large tall and fat matrices is discussed, showing that spca offers a computationally efficient alternative for computing interpretable sPCs.
Curvature-Weighted Gradient Diversity: A Noise Measure for Geometry-Adaptive SGD Schedules
The standard convergence analysis of mini-batch stochastic gradient descent (SGD) models gradient noise using a single variance term that treats all parameter directions equally, ignoring the fact that noise in high-curvature directions has less impact because learning rates are already constrained there. We introduce Curvature-Weighted Gradient Diversity (CWGD), a geometry-aware measure that weights per-sample gradient diversity by the inverse square root of the Hessian, providing a tighter proxy for the effective optimization noise. For strongly convex quadratic objectives with diagonal Hessians and isotropic noise, we prove that a CWGD-modulated cosine learning-rate schedule can reduce the asymptotic optimization error floor by up to a factor of two compared with standard cosine annealing. We implement this idea as CWGD-Cosine using a Hutchinson-based diagonal Hessian estimator that is exact for quadratic objectives. Across a range of condition numbers, batch sizes, and noise structures, CWGD-Cosine consistently achieves approximately 20% lower final optimization error than standard cosine annealing while incurring negligible overhead in the quadratic setting. We also identify and correct a degenerate curvature estimator, analyze the robustness of the proposed estimator, and explicitly discuss the limitations of the method, including Hessian staleness in non-convex optimization. These results establish CWGD as a principled geometry-aware measure of optimization noise and motivate future extensions to more general learning problems.
Highly Data Parallelizable Estimation of the Sliced-Wasserstein Distance Using Cumulative Distribution Functions
Vauthier, Christophe, Mérigot, Quentin, Korba, Anna
The Sliced Wasserstein (SW) distance has emerged as a computationally attractive alternative to the Wasserstein distance by leveraging one-dimensional optimal transport along random projections. Standard estimators of the SW distance rely on Monte Carlo averages of one-dimensional Wasserstein distances computed via quantile functions, which require sorting projected samples and access to full datasets. In this work, we introduce a new class of estimators for the Sliced Wasserstein distance based on cumulative distribution functions (CDFs) of projected measures, that avoid sorting and scale via massive dataset parallelism. This class includes several estimators, some of them being indexed by hyperparameters controlling their variance or smoothness. We show that they are especially well suited to scenarios in which CDFs are more tractable than quantile functions, such as mixtures of Gaussians, and moreover that they are also naturally compatible with federated learning, since CDFs of projected data can be computed and aggregated locally without requiring the exchange of raw samples.
Multi-Source Transfer Learning of Sparse Single-Index Models
Transfer learning leverages knowledge from related source domains to improve learning in a target domain. Recent theoretical advances cover a broad range of regression settings within (generalized) linear models. Despite their diversity, these methods share two common constraints: they assume a known link function or linear structure and require direct access to raw source data. To move beyond these constraints, we propose a source-data-free transfer learning framework based on the single-index model (SIM). Instead of requiring raw source data, our method transfers only summary statistics derived from a generalized Stein's lemma in a one-time communication. This design preserves privacy and avoids side effects caused by dissimilarities of unknown nonlinear link functions across domains. To capture flexible, unknown nonlinearity, we employ a multilayer perceptron guided by the pre-estimated index from the transferred statistics, which significantly mitigates overfitting. Extensive experiments on synthetic data and a real-world application demonstrate consistent improvements over existing (generalized) linear model-based approaches. The proposed framework thus offers a practical, privacy-preserving, and nonlinear-adaptive solution for transfer learning.
A Bayesian latent Gaussian process framework for aerodynamic uncertainty quantification
Davis, Geoffrey, Renganathan, Ashwin
Predicting the aerodynamic performance (e.g. lift, drag, and moment coefficients) of an aircraft is challenging -- computational models are biased and direct simulations are prohibitive. A pragmatic way to overcome this limitation is by calibrating low-fidelity computational predictions with experimental measurements. This, however, requires calibrating against \emph{sparse} measurements contaminated with \emph{uncertainty} in both the control inputs and the measured aerodynamic response. We develop a methodology to address this problem based on Gaussian process surrogates and the classical Kennedy-O'Hagan calibration. A surrogate model learned on abundant-but-cheap low-fidelity data is calibrated with a sparse set of measurement data. Crucialy, we develop a Bayesian latent Gaussian process based approach that marginalizes the calibrated surrogate model over the input uncertainty, while also matching the marginal mean and variance of the measured output uncertainty. Once calibrated, our surrogate model predicts the uncertainty in aerodynamic coefficients with very high accuracy, including at extrapolative input settings. We validate our calibrated surrogate model predictions against measurement data with \emph{true} uncertainty intervals to demonstrate that the model places $94.2-95.8\%$ of its predictive samples inside the released $95\%$ truth intervals, with endpoint cumulative probabilities very close to the nominal 0.025 and 0.975 levels.