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Testing hypotheses via orthogonalization

arXiv.org Machine Learning

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.


Representation Costs in Data Science: Foundations and the Quasi-Banach Spaces of Deep Neural Networks

arXiv.org Machine Learning

We develop a general framework for analyzing representation costs of parametric data-fitting methods through their parameter-space regularizers. From this abstract perspective, we define representation costs for arbitrary parametric models and reveal their induced (native) function spaces. This unifies recent function-space views of data-fitting methods. We also prove that many natural results hold in this abstract setting, including representer theorems for parametric methods on their native spaces. The framework also rigorously connects parametric methods with their equivalent nonparametric descriptions under sufficient overparameterization. Classical methods and their native spaces, such as kernel methods / reproducing kernel Hilbert spaces, wavelets / Besov spaces, and shallow neural networks / variation spaces emerge as special cases of our abstract framework. A byproduct of "axiomatizing" the study of representation costs is that we also immediately obtain new results for deep neural networks: For depth-$L$ feedforward ReLU networks, their induced native spaces are $p$-normable quasi-Banach spaces with $p = 2/L$. This reveals that the inductive bias of deep neural networks (as given by the representation cost) cannot be captured by norms for depths $L > 2$.


A functional central limit theorem for kernel gradient flow and infinitesimal gradient boosting

arXiv.org Machine Learning

Building on the large-sample analysis of infinitesimal gradient boosting (Dombry and Duchamps, 2024b), we study the fluctuations of the process around its deterministic limit and establish a functional central limit theorem: the rescaled deviations converge in distribution to a Gaussian process. The analysis is carried out in a reproducing kernel Hilbert space (RKHS) naturally associated with the softmax gradient tree base learner, in which the boosting process is characterized as the solution of an autonomous ordinary differential equation (ODE). The proof rests on a general stochastic perturbation analysis of ODEs in Banach spaces, which is of independent interest: whenever a sequence of vector fields converges and satisfies a central limit theorem, so does the associated ODE solution. We first illustrate this perturbation approach in the simpler setting of kernel gradient flow, where the Gaussian limit admits an explicit characterization, and then consider the more complicated tree-based gradient boosting setting.


Variance or Standard Deviation? Shell Geometry and Global-Scale Priors in High-Dimensional Shrinkage

arXiv.org Machine Learning

We study how the choice of default prior for a common Gaussian scale affects high-dimensional shrinkage risk, highlighting the role played by high-dimensional geometry. Formally, we consider a high-dimensional setting in which the near-zero behavior of the common scale prior has first-order consequences for shrinkage risk, and show that priors that are flat on the variance and those flat on the standard deviation allocate markedly different mass near the zero-scale boundary, leading to distinct shrinkage behavior and informing principled default prior selection. Specifically, under a radial-power benchmark, we establish that the SD-flat benchmark has a one-unit asymptotic risk advantage near the origin, crosses over in the critical regime, and is second-order equivalent to the variance-flat benchmark for strong signals. Proper single global-scale hyperpriors and bounded coordinate-multiplier mixtures inherit these limits through the near-zero exponent of their SD-scale density. For heavier-tailed or sparse priors, that exponent still classifies the common global-scale component, while local-scale tails, model-size priors, or allocation priors can also affect risk.


ATheoretical Framework for Grokking: Interpolation followed by Riemannian Norm Minimisation

Neural Information Processing Systems

We study the dynamics of gradient flow with small weight decay on general training losses F: Rd R. Under mild regularity assumptions and assuming convergence of the unregularised gradient flow, we show that the trajectory with weight decay λ exhibits a two-phase behaviour as λ 0. During the initial fast phase, the trajectory follows the unregularised gradient flow and converges to a manifold of critical points of F. Then, at time of order 1/λ, the trajectory enters a slow drift phase and follows a Riemannian gradient flow minimising the ℓ2-norm of the parameters. This purely optimisation-based phenomenon offers a natural explanation for the grokking effect observed in deep learning, where the training loss rapidly reaches zero while the test loss plateaus for an extended period before suddenly improving. We argue that this generalisation jump can be attributed to the slow norm reduction induced by weight decay, as explained by our analysis.


Least squares variational inference

Neural Information Processing Systems

Variational inference seeks the best approximation of a target distribution within a chosen family, where "best" means minimising Kullback-Leibler divergence. When the approximation family is exponential, the optimal approximation satisfies a fixed-point equation. We introduce LSVI (Least Squares Variational Inference), a gradient-free, Monte Carlo-based scheme for the fixed-point recursion, where each iteration boils down to performing ordinary least squares regression on tempered log-target evaluations under the variational approximation. We show that LSVI is equivalent to biased stochastic natural gradient descent and use this to derive convergence rates with respect to the numbers of samples and iterations. When the approximation family is Gaussian, LSVI involves inverting the Fisher information matrix, whose size grows quadratically with dimension d. We exploit the regression formulation to eliminate the need for this inversion, yielding O(d3) complexity in the full-covariance case and O(d) in the mean-field case. Finally, we numerically demonstrate LSVI's performance on various tasks, including logistic regression, discrete variable selection, and Bayesian synthetic likelihood, showing results competitive with state-of-the-art methods, even when gradients are unavailable.


Constrained Best Arm Identification

Neural Information Processing Systems

In real-world decision-making problems, one needs to pick among multiple policies the one that performs best while respecting economic constraints. This motivates the problem of constrained best-arm identification for bandit problems where every arm is a joint distribution of reward and cost. We investigate the general case where reward and cost are dependent. The goal is to accurately identify the arm with the highest mean reward among all arms whose mean cost is below a given threshold. We prove information-theoretic lower bounds on the sample complexity for three models: Gaussian with fixed covariance, Gaussian with unknown covariance, and non-parametric distributions of rectangular support. We propose a combination of a sampling and a stopping rule that correctly identifies the constrained best arm and matches the optimal sample complexities for each of the three models. Simulations demonstrate the performance of our algorithms.


On the Oracle Complexity of Interpolation-Based Gradient Descent

arXiv.org Machine Learning

Recent work on first-order optimizers for empirical risk minimization (ERM) has suggested that smoothness of ERM loss functions in the training data, rather than in the optimization parameters, can be leveraged to improve the oracle complexity of gradient descent (GD) methods. In this paper, we propose an inexact gradient method, piecewise polynomial interpolation-based gradient descent (PPI-GD), which approximates the full gradient in each iteration by querying the first-order oracle at equidistant points in the data domain to construct polynomial interpolants of the resulting gradient samples over appropriately sized patches of the data domain. We analyze the oracle complexity of PPI-GD for strongly convex and non-convex loss functions when the data space dimension is bounded by a polylogarithmic function of the number of training samples, and find it to outperform several GD variants in key regimes when the loss function is sufficiently smooth. Furthermore, our analysis extends several techniques from the error analysis of bicubic spline interpolants to the setting of $d$-variate tensor product polynomial interpolants which may be of independent interest in interpolation analysis.


Online Inverse Linear Optimization: Efficient Logarithmic-Regret Algorithm, Robustness to Suboptimality, and Lower Bound

Neural Information Processing Systems

In online inverse linear optimization, a learner observes time-varying sets of feasible actions and an agent's optimal actions, selected by solving linear optimization over the feasible actions. The learner sequentially makes predictions of the agent's true linear objective function, and their quality is measured by the regret, the cumulative gap between optimal objective values and those achieved by following the learner's predictions. A seminal work by Bärmann et al. (2017) obtained a regret bound of O( T), where T is the time horizon. Subsequently, the regret bound has been improved to O(n4 lnT) by Besbes et al. (2021, 2025) and to O(nlnT) by Gollapudi et al. (2021), where nis the dimension of the ambient space of objective vectors. However, these logarithmic-regret methods are highly inefficient when T is large, as they need to maintain regions specified by O(T) constraints, which represent possible locations of the true objective vector.


Conformal Prediction under Lévy-Prokhorov Distribution Shifts: Robustness to Local and Global Perturbations

Neural Information Processing Systems

Conformal prediction provides a powerful framework for constructing prediction intervals with finite-sample guarantees, yet its robustness under distribution shifts remains a significant challenge. This paper addresses this limitation by modeling distribution shifts using Lévy-Prokhorov (LP) ambiguity sets, which capture both local and global perturbations. We provide a self-contained overview of LP ambiguity sets and their connections to popular metrics such as Wasserstein and Total Variation. We show that the link between conformal prediction and LP ambiguity sets is a natural one: by propagating the LP ambiguity set through the scoring function, we reduce complex high-dimensional distribution shifts to manageable onedimensional distribution shifts, enabling exact quantification of worst-case quantiles and coverage. Building on this analysis, we construct robust conformal prediction intervals that remain valid under distribution shifts, explicitly linking LP parameters to interval width and confidence levels. Experimental results on real-world datasets demonstrate the effectiveness of the proposed approach.