Kernel Ridge Regression

Scientific observations are frequently distributed across locations, time periods, and institutions. Combining such observations into a continuous, differentiable field enables recovering governing physical parameters from its derivatives. This paper makes two contributions in this setting. First, the established additive structure of fixed-basis ridge-regression statistics is applied to tensor-product spline fields: each data holder computes a local Gram matrix and moment vector, and the merged solution is mathematically identical to centralized fitting, with no raw data shared and no iterative synchronization. This property is specific to the fixed-feature squared-error setting; the present derivation does not establish an analogous guarantee for general jointly trained multilayer networks. Second, a complete pipeline connects distributed observations to physical parameter inference through field reconstruction, derivative extraction, and linear regression. The pipeline is validated on four PDEs: diffusion, wave, heat-with-source, and the nonlinear viscous Burgers equation, recovering governing parameters to sub-percent accuracy in the linear cases and 5% for Burgers. In all cases, distributed merging introduces zero degradation relative to centralized fitting. Application to 41 years of NOAA sea-surface temperature data confirms the result on real spatiotemporal observations. Source code to reproduce all experiments is available at https://github.com/NAVEENMN/gramfield.

Xu, Vardi and Safran (ICML 2026) prove that over-parameterized ridge regression over an unstructured random Gaussian feature map groks, with the delay between memorization and generalization growing as $1/λ$ in the weight decay. We show that on a structured feature map the same delay does not appear. For a band-limited Fourier feature map over $\mathbb{Z}_p^2$ carrying a single-character target that lies inside the expressible class, enlarging the band at fixed positive weight decay drives peak held-out accuracy monotonically from $1.00$ to $0.07$, with no memorize-then-generalize regime anywhere along the sweep. The degradation is not an interpolation effect. It sets in at capacity ratio $q/n = 0.638$, far below the interpolation threshold, on separate grounds from the exact null space that appears above it. What does have a sharp boundary is the active support. Holding the nominal dimension fixed and masking the band back to $1089$ active modes restores held-out accuracy of $1.000$ with zero variance across seeds, while the full $4225$-mode band collapses to $0.185$. The number of active modes acts through the teacher-weighted spectrum of the empirical Gram matrix and not through the capacity ratio, which makes this a statement about feature geometry and not a restatement of double descent.

We study the local errors of classical machine-learning surrogate models, which approximate the time evolution of the one-dimensional viscous Burgers equation. Four models are compared on the same prediction task, using the spatial grid values directly: radial basis function (RBF) kernel ridge regression (KRR), linear Ridge, ExtraTrees, and Random Forests. Across all four models, the one-step residual, defined here as the true value minus the predicted value at each grid point, forms clear curved branches near predicted maxima and minima. A more detailed analysis of KRR shows that these errors are much more strongly related to the second spatial derivative, which measures local curvature, than to the first spatial derivative. Near a smooth extremum, predicted value and curvature form a local two-branch fold. Under our local curvature-based model of the residual, this fold predicts a leading-order near-parabolic relation between predicted value and residual. This geometric result motivates a direct test of the Burgers advection (transport) and diffusion (smoothing) terms. For KRR and Ridge, regression tests on held-out trajectories, a control that breaks the spatial alignment of the diffusion term, and a spectral test of high-frequency content are consistent with insufficient viscous smoothing at moderate and high viscosity. In this case, the surrogate retains more small-scale structure than the true future state. The same physical explanation is much weaker for the tree models. Finally, a correction that uses only predicted quantities reduces both one-step error and error during recursive rollout, where each prediction is used as the next input.

Resting-state functional magnetic resonance imaging (rs-fMRI) functional connectivity (FC) matrices are widely used for individual-level prediction, but strong performance within one cohort may not generalize to a new cohort. We ask whether within-dataset performance remains when the test data come from an entirely held-out rs-fMRI dataset. Each scan is represented as a regularized symmetric positive definite (SPD) correlation connectome, which allows methods to use the geometry of the SPD manifold. We introduce a reproducible age-prediction benchmark across six rs-fMRI datasets: COBRE, ADNIDOD, Cam-CAN, ABIDE, OASIS-3, and ADNI. The benchmark compares a vectorized correlation baseline, Tangent-Space Ridge, SPDNet, and split-wise Riemannian harmonization under within-dataset GroupKFold, pooled GroupKFold, and leave-one-dataset-out (LODO) evaluation. Within-dataset and pooled GroupKFold results are substantially more favorable than LODO results. When an entire dataset is held out, prediction error increases, differences among methods narrow, and performance is strongly affected by age-range mismatch and cohort heterogeneity. The benchmark provides common inputs, model settings, data splits, and analysis scripts so that future SPD matrix learning methods can be evaluated under the same external-validation protocol.

This paper investigates the asymptotic behavior of the out-of-sample prediction risk of the high-dimensional ridgeless least-squares estimator when the feature dimension $p$ and the sample size $n$ grow proportionally. We consider a generalized spiked population covariance model with multiple latent factors, where the number of spiked eigenvalues may remain finite or increase with $n$, and the spiked eigenvalues may be bounded or diverge at arbitrary rates. Beyond characterizing the impact of covariance spectra, we reveal a new mechanism underlying benign overfitting: the prediction behavior of ridgeless interpolation is fundamentally governed by the alignment between the regression coefficient $\boldsymbolβ$ and the spiked eigenspaces of the population covariance matrix. In particular, we show that the signal energy distributed along latent spike directions determines whether interpolation leads to benign, tempered, or catastrophic overfitting. Our theoretical framework establishes sharp prediction risk limits under minimal moment conditions, requiring only finite fourth moments rather than Gaussianity. We characterize how the number, strength, and geometric structure of the spikes jointly influence the double-descent phenomenon. These results provide a unified understanding of when latent covariance structures facilitate or hinder generalization in overparameterized regression.

Retrieval-augmented forecasting promises to adapt frozen Time Series Foundation Models (TSFMs) to new domains without fine-tuning, but recent methods typically rely on learned fusion modules, i.e., trained adapters that merge retrieved examples into the backbone's forecast, based on the assumption that frozen backbones cannot dynamically incorporate retrieved context on their own. We show this assumption is unnecessary. We introduce Align-RAG, a training-free method that applies a closed-form per-pair amplitude rescaling and integer-lag phase shift to retrieved past-future windows before they enter a frozen backbone's context. With no learned parameters, Align-RAG outperforms the state-of-the-art trained retrieval adapter on a frozen Chronos-Bolt on all seven datasets of the standard benchmark (avg -3.75% MSE), showing that the gains previously attributed to learned fusion are recoverable without any training. Align-RAG further improves zero-shot MSE on four additional frozen TSFMs with various architectures by 2.5% to 13.7% per backbone with no per-backbone tuning. To probe why alignment helps, we compare the frozen backbone's prediction shift under aligned demonstrations to the closed-form ridge prediction shift on the same pairs. We find that aligned demonstrations induce prediction shifts that track a closed-form ridge predictor on the same pairs, with a future-shuffle control ruling out a futures-averaging account. Together, these results indicate that frozen TSFMs already support dynamic in-context use of retrievals, and that closed-form alignment should be the default baseline for retrieval-augmented forecasting before any fusion module is trained. Code available at: https://github.com/masadi-99/align-rag

This paper develops procedures for nonparametric goodness-of-fit testing under covariate shift, where labelled data are drawn from a source population but goodness-of-fit is evaluated for a target population. The distribution mismatch is quantified by either a bounded moment condition or a sub-exponential tail condition on the target-to-source density ratio. Our method combines truncated importance-weighting kernel ridge regression with a multiplier bootstrap to construct confidence sets for the regression function. The truncation stabilizes the importance- weighting kernel ridge regression as well as the bootstrap calibration, making our approach applicable even when the density ratio has heavy tails. We prove nonasymptotic validity and sharpness of the resulting confidence sets under suitable operator compatibility conditions, and establish explicit error rates for coverage probability under specific conditions on the target- to-source density ratio and on the spectral decay of the kernel integral operator. Numerical experiments corroborate our theoretical findings.

We present a simple Gaussian approximation to the finite-sample distribution of the classical ridge regression estimator. Our approximation captures the fact that, in finite samples, the ridge regression estimator trades off bias and variance to reduce estimation and prediction error. Our approximation is based on nonstandard asymptotics where $i)$ we let the estimator's regularization parameter grow proportionally to the sample size; and $ii)$ we treat the population regression coefficients as \emph{local} to the reference vector that defines the estimator's direction of shrinkage. In contrast to other asymptotic approximations in the literature, we allow for general forms of heteroskedasticity and autocorrelation in the data generating process (at the cost of considering a low-dimensional model where the number of covariates is not allowed to grow with the sample size). We use our simple Gaussian approximation to propose two new strategies to select the regularization parameter for the ridge regression estimator. The suggested strategies select the regularization parameter to minimize either average or worst-case excess prediction risk, where risk is computed using our suggested Gaussian approximation.

Adversarial training can improve the robustness of predictive models to bounded perturbations, often at the cost of statistical efficiency. We study this trade-off in kernel regression over a reproducing kernel Hilbert space (RKHS). It is shown that, under squared loss, adversarial training in RKHS introduces a term involving the product of the function norm with the mean absolute value of the response noise, which we call the \textit{noise premium}. Our analysis shows that the noise premium makes the prediction error of adversarial training converge strictly more slowly than the nonparametric minimax benchmark even after balancing approximation and estimation errors. Moreover, for a fixed perturbation budget, once the budget exceeds a certain threshold, the solution to adversarial training collapses to the zero function. To mitigate these effects of the noise premium, we propose noise-debiased adversarial training. The resulting noise-debiased estimator can attain the minimax optimal rate up to a logarithmic factor for the prediction error, raises the collapse threshold, and admits an explicit bound on the increase in adversarial loss. Numerical experiments on synthetic and real data support the theoretical findings and validate the effectiveness of the proposed noise-debiased method.

This paper studies convolution rank regression (CRR) over decentralized distributed learning networks. We propose a novel decentralized CRR framework, in which estimators are obtained by solving consensus-constrained optimization with kernel-smoothed rank loss. The developed estimation scheme relies solely on local node data and information shared by neighboring nodes, thereby achieving privacy preservation and high communication efficiency. For heterogeneous network settings, we establish finite-sample error bounds for the decentralized CRR estimator and derive exact support recovery guarantees for the sparse decentralized CRR Lasso estimator. To facilitate numerical implementation, we adopt a generalized consensus ADMM to efficiently solve local subproblems across all network nodes. We verify the favorable performance of our developed approach via extensive numerical simulations and real-data experiments.

Principal component regression (PCR) regularizes high-dimensional prediction by choosing a spectral cutoff, but rank selection cannot correct systematic inflation of the retained empirical eigenvalues. We study clean Gaussian random designs in which the aggregate covariance tail creates a nearly scalar sample-space floor comparable to the predictive head scale. De-floored principal component regression (dPCR) retains the cutoff and subtracts an estimated floor from the retained denominators. We prove an ordinary-PCR prediction-risk lower bound uniform over all ranks and a high-probability dPCR upper bound. When the floor is sharp and inexpensive to remove in population prediction risk, the conditional risk of dPCR is asymptotically negligible relative to that of the best ordinary PCR rank. An exact risk decomposition explains the separation: denominator inflation is governed by first spectral mass, whereas the clean prediction cost of correction is governed by squared spectral mass. A same-sample trimmed-mean floor estimate attains the oracle dPCR upper-bound rate at a prespecified rank, and the separation persists under approximate predictive alignment when the tail prediction-energy fraction vanishes. Separate pointwise fixed-aspect formulas show that the risk-optimal positive scalar correction improves rank-$1$ PCR, whereas mean-floor subtraction is generally not optimal for a broad Marchenko--Pastur bulk.

Accurate prediction of complex dynamical systems from noisy measurements remains a significant challenge in scientific computing. Kernel ridge regression learning strategies are often effective when applied to clean data, but have limited success with noisy data. Recent work has observed that a weak formulation can act to filter noisy data, and different learning strategies have achieved increased noise robustness with a weak-form framework. In this manuscript, we give an overview of the filtering mechanism behind the weak formulation and provide a bias-variance error decomposition. Using these insights, we combine a weak formulation with a kernel learning strategy to propose Weak-form Kernel Ridge Regression (WKRR) for learning dynamical systems. The proposed framework is simple to implement, effective for both clean and noisy data, and outperforms several baseline methods. We demonstrate the performance of WKRR on chaotic benchmark systems in up to 64 dimensions, as well as 15,000-dimensional real-world fluid data.

Hyperparameter tuning almost always means search: fit the model at every value on a grid, score each by cross-validation, and keep the winner. For spline regression that search is unnecessary. The optimal resolution can be solved for in closed form, to the accuracy an exhaustive search reaches, at a fraction of the compute. Three ingredients make this possible: classical approximation theory pins the squared bias to a known power of the resolution G, exactly the Kolmogorov n-width of the smoothness class; the basis dimension is an explicit polynomial in G; and leave-one-out error follows from a single fit via the PRESS identity. Balancing the two known curves gives the minimizer analytically. We extend this calculus to many coordinates by replacing ambient input dimension with interaction order, the number of active low-order components in an ANOVA decomposition, yielding a scaling law in which the optimal resolution and error are power functions of the effective density (sample size per active component), with input dimension absent from the exponent. The law becomes an algorithm. KORE (Kolmogorov-optimal Order-aware Resolution Estimation) fits two pilot resolutions, solves a leverage-calibrated 2x2 system for the bias and noise scales, and evaluates the closed-form plug-in resolution with a tiny leave-one-out certificate: about a dozen fits instead of a full grid sweep, with a consistency guarantee as the sample grows. Across additive and sparse pairwise targets up to 80 input dimensions, KORE matches exhaustive 3-fold cross-validation and the full classical ladder (GCV, Mallows' Cp, AIC, BIC) while fitting roughly 8x fewer models; on 36 real tabular datasets it ranks first among 21 methods in accuracy per unit of compute, ahead of tuned boosters and kernel machines. When complexity lives in low interaction order, solving for the resolution beats searching for it.

Regression trees are among the most interpretable yet expressive model classes in machine learning. Historically, greedy induction has been the dominant approach for constructing well-performing regression trees. While optimal methods based on dynamic programming and branch-and-bound exist, they are computationally prohibitive for general linear regression trees, despite often achieving substantially better performance than greedy approaches. Recent work has shown that specialized lookahead strategies can dramatically improve runtime while maintaining near-optimal performance, primarily in classification settings. In this work, we develop a novel algorithm for near-optimal, sparse, piecewise linear regression trees that combines a lookahead-style search strategy with efficient rank-one Cholesky updates of the Gram matrix. We demonstrate, both theoretically and empirically, that our method achieves a favorable trade-off between computational efficiency, predictive accuracy, and sparsity, and scales significantly better than the current state of the art.

Machine-generated text (MGT) attribution aims to identify the specific generator responsible for a given text, thereby providing fine-grained evidence for model accountability and misuse investigation. As new large language models continue to emerge, attribution models must continuously incorporate new generators while preserving their ability to recognize previously seen ones. Prior works have shown that this lifelong MGT attribution setting is challenging, and existing methods often struggle to achieve a stable balance between adapting to new classes and retaining old ones. To address this issue, we propose RidgeFT, a lightweight analytic update framework that does not rely on exemplar replay. RidgeFT trains a task-aware encoder on the initial generator set, stores compact class-wise sufficient statistics when each generator class is first observed, and then freezes the encoder for replay-free closed-form updates. It then suppresses generator-irrelevant variation through covariance calibration, improves representation capacity with fixed random features, and updates new classes through closed-form ridge regression based on class-level sufficient statistics. Across multi-topic evaluations with varying initial generator setups, RidgeFT consistently outperforms baselines. It achieves the best macro-F1 across domains, backbones, and incremental protocols, while also improving both old-class retention and new-class adaptation. These results suggest that feature-stable analytic updates provide a simple yet effective approach to lifelong MGT attribution.

The Forward-Forward (FF) algorithm offers a computationally efficient and biologically plausible alternative to backpropagation (BP) by training neural networks through purely local, layer-wise optimization. However, FF is inherently designed for classification via contrastive positive-negative sample pairs, and extending it to regression poses fundamental challenges: continuous target space lack natural "opposites" for contrastive learning, and the standard goodness function carries no information about target magnitude or ordering. We propose FFR (Forward-Forward for Regression), to our knowledge, the first framework to extend FF to real-world regression and demonstrate competitive performance across diverse real-world datasets. FFR introduces three key innovations: (1) an ordinal competitive goodness function that replaces contrastive pairs with competitive learning between partitioned neuron groups under distance-aware ordinal supervision; (2) a stratified ladder architecture where shallow layers learn coarse ordinal discrimination and deeper layers refine into fine-grained regression, with multi-scale feature aggregation for inter-layer collaboration; and (3) hierarchical prediction with uncertainty estimation, where multi-scale predictors jointly provide robust predictions and prediction confidence as a free-lunch. Extensive experimental results show FFR recovers on average 98.6% of BP's accuracy across five real-world regression benchmarks while reducing peak training memory to only 27% of BP's at depth 8 and 8% at depth 32, with per-iteration time around 72% of BP's, and substantially outperforms all BP-free competitors.

Teacher-Student Knowledge Transfer (KT) is ubiquitous in modern machine learning, ranging from classical model compression via Knowledge Distillation (KD) to the emergent phenomenon of Weak-to-Strong (W2S) generalization. While existing studies offer isolated insights, a unified theoretical framework explaining the efficacy of KT across these disparate regimes remains lacking. In this work, we establish a unified spectral analysis of SGD dynamics in high-dimensional linear regression, elucidating the efficiency of KT across seemingly disparate regimes. We characterize KT efficiency through two distinct mechanisms: \emph{Spectral Horizon Expansion} in KD, which enables the capture of statistically inaccessible high-frequency signals, and \emph{Spectral Denoising} in W2S, where the student acts as a filter for optimization noise. Our framework unifies these phenomena, revealing that the efficacy of transfer is governed by the interplay between implicit regularization and heterogeneous spectral learning speeds over the spectrum.

We introduce a perturbative approach for nonparametric instrumental variable (NPIV) estimation. By drawing inspiration from perturbation theory in physics, we extend standard kernel ridge methods with systematic higher perturbation order corrections that significantly improve estimation accuracy. Spectrally, the perturbation introduces mixing between different eigenmodes of the expectation integral operator, which becomes especially useful when the integral equation is ill-defined. One source for such ill-definedness can be the curse of dimensionality. Our method performs across various dimensionality regimes, particularly when the dimensionality parameter $β$ which is defined through the number of samples $n$ and dimension $d$ as $n^β= d$, becomes large. Experimental results show that our first-order perturbative corrections can reduce prediction error by up to 99% in high-dimensional ill-defined cases ($β> 0.7$) compared to standard ridge regression approaches. The performance improvement is maintained across a wide range of dimensions, with the advantage becoming more pronounced as dimensionality increases.

We connect stochastic resetting from non-equilibrium statistical physics with ridge regularization in statistical learning. For linear gradient flow, resetting to the origin at rate $r$ produces stationary mean $(X^\top X+rI)^{-1}X^\top y$, exactly the ridge estimator with penalty $λ=r$. This uses the known Laplace-transform relationship between ridge regression and exponential-time averaging of gradient flow, with the exponential time now interpreted as the stationary age associated with Poisson resetting. We then extend this identity to general renewal reset laws: the exponential reset time distribution is the unique renewal law whose stationary mean reproduces scalar ridge in every eigendirection as an exact filter identity for every positive curvature, while non-exponential renewal laws generate alternative spectral filters. At the fluctuation level, we study a separate additive Ornstein-Uhlenbeck extension with constant diffusion, interpreted as a stylized SGD approximation. In this setting, the equality holds only at the level of the mean, since the reset process has a nonzero stationary covariance from accumulated OU noise and reset-timing variance, whereas deterministic ridge is a fixed estimator with the same center. Stylized experiments compare the deterministic renewal-induced filters directly and illustrate when filters induced by non-exponential reset-time laws can differ predictively from ridge. The results for the stationary mean and the induced spectral filters are established for continuous-time gradient flow with isotropic resetting on quadratic objectives; the covariance and risk formulas additionally assume additive noise with state-independent covariance.

We consider $L^2$-regularized linear (ridge) regression over a finite data sample $X$ with bounded covariance and linear prediction targets $y$ with additive isotropic noise of finite variance. We present an iterative procedure to compute the optimal regularization strength numerically from the generative parameters in the fixed-$X$ setting and prove its convergence at limited noise levels. Our experimental evaluation over synthetic data shows that the proposed procedure combined with sample-based parameter estimates attains near-optimal random-$X$ generalization across a wide range of sample sizes, aspect ratios, and noise levels, at an added computational cost equivalent to one preliminary ridge regression in the underparameterized regime and two in the overparameterized case.

Conditionally positive definite (CPD) kernels are defined with respect to a function class $\mathcal{F}$. It is well known that such a kernel $K$ is associated with its native space (defined analogously to an RKHS), which in turn gives rise to a learning method -- called conditional kernel ridge regression (conditional KRR) due to its analogy with KRR -- where the estimated regression function is penalized by the square of its native space norm. This method is of interest because it can be viewed as classical linear regression, with features specified by $\mathcal{F}$, followed by the application of standard KRR to the residual (unexplained) component of the target variable. Methods of this type have recently attracted increasing attention. We study the statistical properties of this method by reducing its behavior to that of KRR with another fixed kernel, called the residual kernel. Our main theoretical result shows that such a reduction is indeed possible, at the cost of an additional term in the expected test risk, bounded by $\mathcal{O}(1/\sqrt{N})$, where $N$ is the sample size and the hidden constant depends on the class $\mathcal{F}$ and the input distribution. This reduction enables us to analyze conditional KRR in the case where $K$ is positive definite and $\mathcal{F}$ is given by the first $k$ principal eigenfunctions in the Mercer decomposition of $K$. We also consider the setting where $\mathcal{F}$ consists of $k$ random features from a random feature representation of $K$. It turns out that these two settings are closely related. Both our theoretical analysis and experiments confirm that conditional KRR outperforms standard KRR in these cases whenever the $\mathcal{F}$-component of the regression function is more pronounced than the residual part.

Efficient benchmarking techniques aim to lower the computational cost of evaluating LLMs by predicting full benchmark scores using only a subset of a benchmark's questions. By reframing this problem as an instance of multiple regression with feature selection, we find that existing efficient benchmarking methods can be greatly improved by simply using kernel ridge regression at the prediction stage. Additionally, using an information-theoretic feature-selection algorithm called minimum redundancy maximum relevance (mRMR), we can further improve upon these methods by selecting question subsets that will be maximally useful for prediction. Except in very data-poor settings, these approaches consistently achieve smaller prediction errors (in both MAE and RMSE), and greater ranking correlation between predicted and true scores (in both Spearman $ρ$ and Kendall $τ$) across a range of benchmarks using both binary and continuous metrics. Furthermore, mRMR subsampling is much faster than competitor methods (which often involve fitting probabilistic models or running clustering algorithms), and is more likely to select the same questions under different random seeds or training data splits. Tutorial code can be found at https://github.com/sambowyer/mrmr_eval .

Reservoir computing typically relies on large, randomly generated reservoirs, enabling simple, often linear readouts. Over the past two decades, most constructions have exploited the freedom to select the reservoir, constrained primarily by stability conditions based on state contraction or memory capacity. However, these designs are largely independent of the input data and learning objective, resulting in a trial-and-error methodology driven by randomness. In high dimensions, the reservoir acts as a random embedding of the input history, implicitly relying on Johnson--Lindenstrauss--type concentration phenomena to preserve information. In contrast, we develop reservoir design principles from a geometric perspective for inputs generated by deterministic dynamical systems. Rather than relying on random embeddings, we require reservoir state increments to align within a cone around an input-determined vector subspace, and prove that such a cone concentration reduces ridge-regression training error. When the cone angle is small, the variance of reservoir states concentrates in the input-determined subspace, improving conditioning of the empirical second-moment matrix and strengthening alignment between dominant covariance directions and the state-target cross-covariance. For echo state networks, we provide a constructive approach to reservoir design. The reservoir matrix is chosen so that associated Krylov-chain directions remain nearly closed within an input-determined subspace while permitting controlled mixing in its orthogonal complement. We also provide a spectral diagnostic for ridge regression training that identifies when reservoir geometry concentrates predictive information into a few dominant covariance modes and when ``spectral pollution'' inhibits forecasting. Numerical experiments demonstrate consistent performance gains over arbitrary reservoir constructions.

Symbolic regression (SR) aims to discover explicit mathematical expressions that explain observed data and is widely used in domains where interpretability is essential. Because interpretability requires expressions to reflect meaningful regularities, SR is sensitive to observations that deviate from the dominant relationship. Such irregular observations, or outliers, are common in real-world data and can hinder SR from identifying underlying regularities. Robust regression mitigates this by downweighting observations with large residuals. However, deciding which observations should be treated as outliers is often ambiguous and depends on user interpretation and domain knowledge, a perspective largely overlooked in existing SR studies. This motivates approaches that present multiple candidate expressions, allowing users to examine different residual patterns and choose expressions consistent with their expertise. We propose diversified residual symbolic regression (DRSR), which achieves high predictive accuracy while promoting diversity with respect to residual patterns based on the Quality-Diversity paradigm. DRSR collects multiple expressions that fit the data well but differ in how residuals are distributed, enabling post-search selection aligned with domain knowledge. On a synthetic mixture dataset, DRSR produces more diverse expressions than conventional SR while capturing multiple underlying relationships. On a real-world astronomical dataset, DRSR discovers multiple expressions consistent with known physical relationships.

We study a prototypical situation when a learned predictor can discover useful low-dimensional structure in data, while using fewer samples than are needed for accurate prediction. Specifically, we consider the problem of recovering a multi-index polynomial $f^*(x)=h(Ux)$, with $U\in\mathbb{R}^{r\times d}$ and $r\ll d$, from finitely many data/label pairs. Importantly, the target function depends on input $x$ only through the projection onto an unknown $r$-dimensional central subspace. The algorithm we analyze is appealingly simple: fit kernel ridge regression (KRR) to the data and compute the Average Gradient Outer Product (AGOP) from the fitted predictor. Our main results show that under reasonable assumptions the top $r$-dimensional eigenspace of AGOP provably recovers the central subspace, even in regimes when the prediction error remains large. Specifically, if the target function $f^*$ has degree $p^*$, it is known that $n\asymp d^{p^*}$ samples are necessary for KRR to achieve accurate prediction. In contrast, we show that if a low degree $p$ component of $f^*$ already carries all relevant directions for prediction, subspace recovery occurs in the much lower sample regime $n\asymp d^{p+δ}$ for any $δ\in(0,1)$. Our results thus demonstrate a separation between prediction and representation, and provide an explanation for why iterative kernel methods such as Recursive Feature Machines (RFM) can be sample-efficient in practice.

Recent studies have reported $\textit{saturation effects}$ and $\textit{multiple descent behavior}$ in large dimensional kernel ridge regression (KRR). However, these findings are predominantly derived under restrictive settings, such as inner product kernels on sphere or strong eigenfunction assumptions like hypercontractivity. Whether such behaviors hold for other kernels remains an open question. In this paper, we establish a broad, new family of large dimensional kernels and derive the corresponding convergence rates of the generalization error. As a result, we recover key phenomena previously associated with inner product kernels on sphere, including: $i)$ the $\textit{minimax optimality}$ when the source condition $s\le 1$; $ii)$ the $\textit{saturation effect}$ when $s>1$; $iii)$ a $\textit{periodic plateau phenomenon}$ in the convergence rate and a $\textit {multiple-descent behavior}$ with respect to the sample size $n$.

This paper investigates the critical role of eigenalignments between the kernel matrix and learning targets in achieving robust generalization in learning problems. We establish a direct connection between generalization performance in kernel methods and the estimation of eigenvectors and eigenvalues of matrices, offering a more intuitive understanding compared to prior work with minimal assumptions. We also show that, since the prediction task in KRR is essentially the weighted sum of eigenvectors/singular vectors, by analyzing how much error can be caused by perturbations to the kernel matrix, we can then derive a bound on this generalization error using the estimation stability of matrix eigenvalues and eigenvectors. Compared with previous work, our analysis concentrates on finite-sample settings and on the generalization error arising from having a suboptimal finite training set. Our findings reveal that in kernel methods, as long as the kernel is of high rank, the near-zero reconstruction error can be trivially obtained, implying that the reconstruction error will have limited predictive power for generalization. Finally, we establish a generalization bound from an eigenvalues/eigenvectors estimation perspective, showing that strong generalization requires increasing eigenvector alignment, eigenvalue magnitude, or gaps between consecutive eigenvalues.

Preprocessing screening is often the most expensive part of a near-infrared spectroscopy calibration workflow. It works because smoothing, derivatives, detrending and related filters change the spectral directions seen by partial least squares (PLS) or Ridge regression, but a full external search repeatedly refits nearly the same linear model. This paper studies the case where that search can be collapsed into one calibration step. For a strict linear preprocessing operator A acting on row spectra as XA^T, the transformed PLS cross-covariance satisfies (XA^T)^T Y = A X^T Y, and Ridge regression depends on the operator-induced kernel X A^T A X^T. These identities let a finite operator bank be screened inside the model while retaining original-wavelength coefficients, and the same identity extends to cheaply evaluated linear operator chains. Sample-adaptive or fitted corrections such as SNV, MSC, EMSC and ASLS are not strict linear; we prove the boundary and keep them as fold-local branches. The cohort has 61 regression and 17 classification rows, with a strict paired regression denominator of N=32 for the eight paper variants. There, AOM-PLS reaches median RMSEP ratios of 0.991/0.990 (simple) and 0.985/1.002 (best) against PLS-default/PLS-HPO, and AOM-Ridge reaches 0.974/0.984 (simple) and 0.918/0.966 (best) against Ridge-default/Ridge-HPO. The operator-adaptive classifier AOM-PLS-DA improves balanced accuracy by a median 0.159 on N=13 datasets (12/13 wins). The practical result is the runtime gap: PLS-HPO takes a median 710.81 s per run, whereas AOM-PLS takes 1.18-1.63 s -- 436 to 602 times less PLS fitting time. Linear operator-adaptive calibration thus gives prediction quality comparable to exhaustive preprocessing screening, with orders-of-magnitude less fitting time for PLS.

A fundamental challenge in symbolic regression (SR) is efficiently recovering complex mathematical expressions from observational data. Although this problem is NP-hard, many expressions of practical interest decompose naturally into combinations of nonlinear feature modules, concentrating structural complexity into a small number of reusable components. Here, we introduce FePySR, a two-stage framework that reduces the SR search space by extracting valid features prior to equation search. FePySR first employs a heterogeneous neural network to constrain observational data to a set of candidate expressions, then performs structural optimization within this refined expression space using PySR. Across five standard benchmarks, FePySR outperforms state-of-the-art methods by achieving higher equation recovery rates. On a set of 75 highly complex synthesized equations, FePySR recovers 36 equations, while producing substantially smaller mean squared errors on the remaining unrecovered cases, with reduced computation time compared to PySR. FePySR's first stage also maintains consistent performance under varying numbers of selected top features and increasing levels of noise in the observational data. Applied to ordinary differential equations governing biological systems, FePySR successfully identifies governing equations in 24 out of 100 tests where PySR recovers none. Taken together, FePySR is a generalizable framework that can enhance the SR solvers, enabling the efficient and reliable recovery of symbolic expressions across scientific domains.

Probabilistic partial least squares (PPLS) is a central likelihood-based model for two-view learning when one needs both interpretable latent factors and calibrated uncertainty. Building on the identifiable parameterization of Bouhaddani et al.\ (2018), existing fitting pipelines still face two practical bottlenecks: noise--signal coupling under joint EM/ECM updates and nontrivial handling of orthogonality constraints. Following the fixed-noise scalar-likelihood protocol, we develop an end-to-end framework that combines noise pre-estimation, constrained likelihood optimization, and prediction calibration in one pipeline. We estimate the observation noise from the low-eigenvalue noise subspace and enforce orthogonality through exact Stiefel-manifold optimization. The noise-subspace estimator attains a signal-strength-independent leading finite-sample rate and matches a minimax lower bound, whereas a full-spectrum noise estimator carries a deterministic bias under the same model. We further extend the framework to sub-Gaussian settings via optional Gaussianization and provide closed-form standard errors through a block-structured Fisher analysis. Across synthetic high-noise settings and two multi-omics benchmarks (TCGA-BRCA and PBMC CITE-seq), the method achieves near-nominal coverage without post-hoc recalibration, reaches Ridge-level point accuracy on TCGA-BRCA at rank $r=3$, matches or exceeds PO2PLS on cross-view prediction while providing native calibrated uncertainty, and improves stability of parameter recovery.

In machine learning, a critical class of decision-related problems concerns preventing predicted undesirable outcomes, referred to as the \textit{avoiding undesired future} (AUF) problem. To address this, the \textit{rehearsal learning} framework has been proposed to model influence relations for effective decisions. However, existing rehearsal methods rely on restrictive parametric assumptions such as linear systems or additive noise, limiting their practical applicability. In this paper, we propose the first non-parametric rehearsal learning approach for AUF without assuming specific functional forms of data generation processes. Specifically, we use kernel machinery to reformulate the AUF objective into a unified representation that disentangles desirability modeling from action-induced distributional changes. To handle the discontinuity of desirability indicator, we present a smooth Probit surrogate and provide an approximation error bound. Meanwhile, we capture the action-induced changes via conditional mean embeddings, and develop a kernel ridge regression based nested estimator for AUF objective with consistency guarantees. Such a formulation naturally accommodates nonlinear systems and non-additive noise, and empirical results on synthetic and real-data-derived semi-synthetic benchmarks demonstrate the effectiveness and flexibility of our approach.

Mechanistic accounts of in-context learning (ICL) have identified iterative algorithms for linear regression and related linear prediction tasks, often using linear or ReLU attention variants. For nonlinear ICL, prior work has related softmax and kernelized attention to functional-gradient-type dynamics, but it remains unclear whether a standard transformer with softmax attention can implement a convergent solver with an end-to-end prediction-error guarantee. In this paper, we study in-context kernel ridge regression (KRR) with Gaussian kernels and show that a standard softmax-attention transformer can approximate the KRR predictor during its forward pass by implementing preconditioned Richardson iteration on the associated kernel linear system. Under bounded-data assumptions, we construct a single-head transformer with $O(\log(1/ε))$ blocks and MLP width $O(\sqrt{N/ε})$ that achieves $ε$-accurate prediction for prompts of length $N$. Our construction reveals a functional decomposition within the transformer architecture: softmax attention produces a row-normalized Gaussian-kernel operator needed for cross-token interactions, while ReLU MLP layers act locally to approximate the intra-token scalar arithmetic required by the update. Empirically, we train GPT-2-style transformers on Gaussian-process regression tasks to further test the preconditioned Richardson interpretation. Through linear probing, we compare the transformer's layer-wise predictions with the step-wise outputs of classical KRR solvers and find that its error profiles align most consistently with preconditioned Richardson iteration. Ablation studies further support this interpretation. Together, our theory and experiments identify preconditioned Richardson iteration as a concrete mechanism that softmax-attention transformers can realize for nonlinear in-context Gaussian-kernel regression.

Since its introduction in 2017, the Transformer has become one of the most widely adopted architectures in modern deep learning. Despite extensive efforts to improve positional encoding, attention mechanisms, and feed-forward networks, the core token-mixing mechanism in Transformers remains attention. In this work, we show that the attention module in Transformers can be interpreted as performing Nadaraya-Watson regression, where it computes similarities between tokens and aggregates the corresponding values accordingly. Motivated by this perspective, we propose Cubit, a potential next-generation architecture that leverages Kernel Ridge Regression (KRR), while the vanilla Transformer relies on Nadaraya-Watson regression. Specifically, Cubit modifies the classical attention computation by incorporating the closed-form solution of KRR, combining value aggregation through kernel similarities with normalization via the inverse of the kernel matrix. To improve the training stability, we further propose the Limited-Range Rescale (LRR), which rescales the value layer within a controlled range. We argue that Cubit, as a KRR-based architecture, provides a stronger mathematical foundation than the vanilla Transformer, whose attention mechanism corresponds to Nadaraya-Watson regression. We validate this claim through comprehensive experiments. The experimental results suggest that Cubit may exhibit stronger long-sequence modeling capability. In particular, its performance gain over the Transformer appears to increase as the training sequence length grows.

Deep neural networks dominate modern machine learning, while alternative function approximators remain comparatively underexplored at scale. In this work, we revisit kernel methods as drop-in components for standard deep learning pipelines. We introduce \emph{Sparse Kernels} (SKs), a differentiable, localized, and lazy variant of kernel ridge regression (KRR) that defers training to inference time and reduces to the solution of small local systems. We integrate SKs into PyTorch as modular layers that preserve end-to-end trainability, and we show that they expose three distinct sets of parameters -- feature representations, target values, and evaluation points -- each of which can be fixed or learned. This decomposition broadens the design space available to practitioners, enabling, in particular, training-free transfer, nonlinear probing, and hybrid kernel-neural models. Across convolutional networks, vision transformers, and reinforcement learning, SK-based modules serve two complementary roles: in some settings, they match the performance of trained neural readouts with substantially less training; in others, they augment existing models and improve their performance when used as additional components. Our results suggest that kernel methods, once made scalable and differentiable, can be readily integrated with deep learning rather than treated as a separate paradigm.

R2 score is the standard metric for evaluating regression tasks, offering a normalized magnitude-agnostic measure of accuracy that captures variance. However, R2 has three key limitations: it is limited to at most two dimensional inputs, it reduces the score to a single scalar that hides rich patterns of prediction accuracy, and it is sensitive to low-variance noise channels which can yield large, uninterpretable negative values. We introduce the Dimensional R2 score (Dim-R2), a simple extension of R2 that accepts data of arbitrary dimensionality, provides a multidimensional view of accuracy, and reduces sensitivity to noise. We demonstrate its advantages on both synthetic sinusoidal data and three multidimensional regression datasets. Dim-R2 offers an interpretable and flexible metric that highlights patterns in regression accuracy, guiding regression modeling.

The second-order harmonic (2f) component generated by twin-rotary compressor is a dominant low-frequency noise source of variable refrigerant flow (VRF) outdoor units, yet its amplitude fluctuates strongly with environmental thermal load and valve opening, making it difficult to assess accurately using conventional mechanism-based models. This paper proposes an unsupervised transfer learning method based on Domain-invariant Partial Least Squares (Di-PLS) to accurately predict 2f noise levels under new conditions using different signals. Prediction models utilizing thermodynamic signals and acceleration signals are constructed respectively, and the generalization performance of the proposed Di-PLS is systematically compared with traditional Partial Least Squares (PLS). Results demonstrate that Di-PLS significantly outperforms PLS by extracting cross-condition common features and minimizing the distribution discrepancy between the source and target domains. Specifically, the acceleration-based Di-PLS model achieves the best performance, maintaining prediction errors within 3 dB for all test cases. This superiority over thermodynamic-based models highlights a physical insight: while thermodynamic states drive dynamic changes, structural vibration possesses a stronger and more direct causal link to acoustic radiation.

Existing large-dimensional theory for spectral algorithms resolves either the optimally tuned point or the interpolation limit, but leaves the under-regularized regime unexplored. We study the learning curve and benign overfitting of spectral algorithms in the large-dimensional setting where the sample size and dimension are of comparable order, i.e., $n \asymp d^γ$ for some $γ>0$. We first consider inner-product kernels on the sphere $\mathbb{S}^{d-1}$ and establish a sharp asymptotic characterization of the excess risk across the full regularization path under various source conditions $s \geq 0$, where $s$ measures the relative smoothness of the regression function. Our results reveal that the learning curve is not simply U-shaped but instead consists of three distinct regimes: over-regularized, under-regularized, and interpolation regimes. This characterization allows us to fully capture the benign overfitting phenomenon, demonstrating that benign overfitting arises consistently across both the under-regularized and interpolation regimes whenever $s$ is positive but no larger than a critical threshold. We further show that, in the sufficiently regularized regime, the kernel learning curve is recovered by an associated sequence model. Finally, we extend the learning-curve analysis to large-dimensional KRR for a class of kernels on general domains in $\mathbb{R}^d$ whose low-degree eigenspaces satisfy spectral-scaling and hyper-contractivity conditions.

Stochastic Gradient Descent (SGD) is a known stochastic iterative method popular for large-scale convex optimization problems due to its simple implementation and scalability. Some objectives, such as those found in complex-valued neural networks, benefit from updates like in SGD and Gradient Descent (GD) with a newly defined ``gradient'' that allows for complex parameters. This complex variant of the SGD/GD methods has already been proposed, but convergence guarantees without analyticity constraints have not yet been provided. We propose a variant of SGD (complex SGD) that allows for complex parameters, and we provide convergence guarantees under assumptions that parallel those from the real setting. Notably, these results extend to GD as well, and with the same set of assumptions, we confirm that some directional bias results extend from the real to the complex setting for kernel regression problems. We provide empirical results demonstrating the efficacy of the complex SGD in kernel regression problems utilizing complex reproducing kernel Hilbert spaces. In particular, we demonstrate we may recover superoscillation functions and Blaschke products from the Fock Space and Hardy Space, respectively, as the optimal functions for a particular choice of a loss function.

One of the major limits of kernel ridge regression (KRR) is that storing and manipulating the kernel matrix K_n for n samples requires O(n^2) space, which rapidly becomes unfeasible for large n. Nystrom approximations reduce the space complexity to O(nm) by sampling m columns from K_n. Uniform sampling preserves KRR accuracy (up to epsilon) only when m is proportional to the maximum degree of freedom of K_n, which may require O(n) columns for datasets with high coherence. Sampling columns according to their ridge leverage scores (RLS) gives accurate Nystrom approximations with m proportional to the effective dimension, but computing exact RLS also requires O(n^2) space. (Calandriello et al. 2016) propose INK-Estimate, an algorithm that processes the dataset incrementally and updates RLS, effective dimension, and Nystrom approximations on-the-fly. Its space complexity scales with the effective dimension but introduces a dependency on the largest eigenvalue of K_n, which in the worst case is O(n). In this paper we introduce SQUEAK, a new algorithm that builds on INK-Estimate but uses unnormalized RLS. As a consequence, the algorithm is simpler, does not need to estimate the effective dimension for normalization, and achieves a space complexity that is only a constant factor worse than exact RLS sampling.

Large-scale kernel ridge regression (KRR) is limited by the need to store a large kernel matrix K_t. To avoid storing the entire matrix K_t, Nystrom methods subsample a subset of columns of the kernel matrix, and efficiently find an approximate KRR solution on the reconstructed matrix. The chosen subsampling distribution in turn affects the statistical and computational tradeoffs. For KRR problems, recent works show that a sampling distribution proportional to the ridge leverage scores (RLSs) provides strong reconstruction guarantees for the approximation. While exact RLSs are as difficult to compute as a KRR solution, we may be able to approximate them well enough. In this paper, we study KRR problems in a sequential setting and introduce the INK-ESTIMATE algorithm, that incrementally computes the RLSs estimates. INK-ESTIMATE maintains a small sketch of K_t, that at each step is used to compute an intermediate estimate of the RLSs. First, our sketch update does not require access to previously seen columns, and therefore a single pass over the kernel matrix is sufficient. Second, the algorithm requires a fixed, small space budget to run dependent only on the effective dimension of the kernel matrix. Finally, our sketch provides strong approximation guarantees on the distance between the true kernel matrix and its approximation, and on the statistical risk of the approximate KRR solution at any time, because all our guarantees hold at any intermediate step.

We study replicable algorithms for stochastic multi-armed bandits (MAB) and linear bandits with UCB (Upper Confidence Bound) based exploration. A bandit algorithm is $ρ$-replicable if two executions using shared internal randomness but independent reward realizations produce the same action sequence with probability at least $1-ρ$. Prior approaches to this problem are elimination-based and, in linear bandits with infinitely many actions, rely on discretization, leading to suboptimal dependence on the dimension $d$ and $ρ$. We develop optimistic alternatives for both settings. For stochastic multi-armed bandits, we propose RepUCB, a replicable batched UCB algorithm and show that it attains a regret $O\!\left(\frac{K^2\log^2 T}{ρ^2}\sum_{a:Δ_a>0}\left(Δ_a+\frac{\log(KT\log T)}{Δ_a}\right)\right)$. For stochastic linear bandits, we first introduce RepRidge, a replicable ridge regression estimator that satisfies both a confidence guarantee and a $ρ$-replicability guarantee. Beyond its role in our bandit algorithm, this may also be of independent interest in other statistical estimation settings. We then use RepRidge to design RepLinUCB, a replicable optimistic algorithm for stochastic linear bandits, and show that its regret is bounded by $\widetilde{O}\!\big(\big(d+\frac{d^3}ρ\big)\sqrt{T}\big)$. This improves the best prior regret guarantee by a factor of $O(d/ρ)$, showing that our optimistic algorithm can substantially reduce the price of replicability. This is the first linear-bandit algorithm with an optimal dependence on $ρ$ for large number of arms. Finally, we extend our framework to stochastic generalized linear bandits by developing RepGLM, a replicable penalized GLM estimator, and RepGLMUCB, a replicable optimistic algorithm for this setting.

We study grokking, the onset of generalization long after overfitting, in a classical ridge regression setting. We prove end-to-end grokking results for learning over-parameterized linear regression models using gradient descent with weight decay. Specifically, we prove that the following stages occur: (i) the model overfits the training data early during training; (ii) poor generalization persists long after overfitting has manifested; and (iii) the generalization error eventually becomes arbitrarily small. Moreover, we show, both theoretically and empirically, that grokking can be amplified or eliminated in a principled manner through proper hyperparameter tuning. To the best of our knowledge, these are the first rigorous quantitative bounds on the generalization delay (which we refer to as the "grokking time") in terms of training hyperparameters. Lastly, going beyond the linear setting, we empirically demonstrate that our quantitative bounds also capture the behavior of grokking on non-linear neural networks. Our results suggest that grokking is not an inherent failure mode of deep learning, but rather a consequence of specific training conditions, and thus does not require fundamental changes to the model architecture or learning algorithm to avoid.

Deep neural networks excel in high-dimensional problems, outperforming models such as kernel methods, which suffer from the curse of dimensionality. However, the theoretical foundations of this success remain poorly understood. We follow the idea that the compositional structure of the learning task is the key factor determining when deep networks outperform other approaches. Taking a step towards formalizing this idea, we consider a simple compositional model, namely the multi-index model (MIM). In this context, we introduce and study hyper-kernel ridge regression (HKRR), an approach blending neural networks and kernel methods. Our main contribution is a sample complexity result demonstrating that HKRR can adaptively learn MIM, overcoming the curse of dimensionality. Further, we exploit the kernel nature of the estimator to develop ad hoc optimization approaches. Indeed, we contrast alternating minimization and alternating gradient methods both theoretically and numerically. These numerical results complement and reinforce our theoretical findings.

We study a compositional variant of kernel ridge regression in which the predictor is applied to a coordinate-wise reweighting of the inputs. Formulated as a variational problem, this model provides a tractable setting for studying feature learning in compositional architectures. From the perspective of variable selection, we show how relevant variables are recovered while noise variables are eliminated. We prove that both global minimizers and stationary points discard noise coordinates when the noise variables are Gaussian distributed. A central finding is that $\ell_1$-type kernels, such as the Laplace kernel, succeed in recovering features contributing to nonlinear effects at stationary points, whereas Gaussian kernels recover only linear ones.

The principal objective of this work is twofold within nonparametric regression settings: (1) to establish the minimax optimal convergence rates for fixed-bandwidth Gaussian kernel spectral algorithms when the true regression function resides in a Sobolev space, and (2) to apply Gaussian spectral algorithms for achieving robust and adaptive transfer learning under concept shift. While minimax optimality of misspecified spectral algorithms has been established, existing guarantees are typically restricted to the non-saturation regime. We demonstrate that the infinite smoothness of fixed-bandwidth Gaussian kernels provides universal robustness to model misspecification by showing that this kernel choice enables any spectral algorithm to attain minimax optimal rates, provided the regularization parameter decays exponentially. This result effectively decouples optimality from the algorithm's inherent qualification. Building on this, we then advocate Gaussian spectral algorithms as powerful components in a learning framework for robust and adaptive transfer. Specifically, we derive the adaptive convergence rate of the excess risk for this framework and show that the rates are optimal up to logarithmic factors. Our results also reveal the impact of the magnitude of the concept shift and the sample size on the generalization error.

A fundamental problem in machine learning is understanding the effect of early stopping on the parameters obtained and the generalization capabilities of the model. Even for linear models, the effect is not fully understood for arbitrary learning rates and data. In this paper, we analyze the dynamics of discrete full batch gradient descent for linear regression. With minimal distributional assumptions, we characterize the trajectory of the parameters and the expected excess risk. Using this characterization, we show that when training with any learning rate schedule and finite time horizon, the early stopped solution is equivalent to the minimum norm solution for a generalized ridge regression problem. We also prove that early stopping is beneficial for generic data with arbitrary spectrum and for a wide variety of learning rate schedules. We provide an estimate for the optimal stopping time and empirically demonstrate the accuracy of our estimate.

Given a high-dimensional covariate matrix and a response vector, ridge-regularized sparse linear regression selects a subset of features that explains the relationship between covariates and the response in an interpretable manner. To choose hyperparameters that control the sparsity level and amount of regularization, practitioners commonly use k-fold cross-validation. However, cross-validation substantially increases the computational cost of sparse regression as it requires solving many mixed-integer optimization problems (MIOs) for each hyperparameter combination. To address this computational burden, we derive computationally tractable relaxations of the k-fold cross-validation loss, facilitating hyperparameter selection while solving $50$--$80\%$ fewer MIOs in practice. Our computational results demonstrate, across eleven real-world UCI datasets, that exact MIO-based cross-validation can be competitive with mature software packages such as glmnet and L0Learn.