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Small Resamples, Sharp Guarantees: Convergence Rates for Resampled Studentized Quantile Estimators

Neural Information Processing Systems

The m-out-of-n bootstrap--proposed by Bickel et al. [1992]--approximates the distribution of a statistic by repeatedly drawing msubsamples (m n) without replacement from an original sample of size n; it is now routinely used for robust inference with heavy-tailed data, bandwidth selection, and other large-sample applications. Despite this broad applicability across econometrics, biostatistics, and machine-learning workflows, rigorous parameter-free guarantees for the soundness of the m-out-of-n bootstrap when estimating sample quantiles have remained elusive. This paper establishes such guarantees by analysing the estimator of sample quantiles obtained from m-out-of-n resampling of a dataset of length n. We first prove a central limit theorem for a fully data-driven version of the estimator that holds under a mild moment condition and involves no unknown nuisance parameters. We then show that the moment assumption is essentially tight by constructing a counter-example in which the CLT fails. Strengthening the assumptions slightly, we derive an Edgeworth expansion that delivers exact convergence rates and, as a corollary, a Berry-Essรฉen bound on the bootstrap approximation error. Finally, we illustrate the scope of our results by obtaining parameter-free asymptotic distributions for practical statistics, including the quantiles for random walk MH, and rewards of ergodic MDP's, thereby demonstrating the usefulness of our theory in modern estimation and learning tasks.


Small Resamples, Sharp Guarantees: Convergence Rates for Resampled Studentized Quantile Estimators

Neural Information Processing Systems

Despite this broad applicability across econometrics, biostatistics, and machine-learning workflows, rigorous parameter-free guarantees for the soundness of the m-out-of-n bootstrap when estimating sample quantiles have remained elusive. This paper establishes such guarantees by analysing the estimator of sample quantiles obtained from m-out-of-n resampling of a dataset of length n. We first prove a central limit theorem for a fully data-driven version of the estimator that holds under a mild moment condition and involves no unknown nuisance parameters. We then show that the moment assumption is essentially tight by constructing a counter-example in which the CLT fails. Strengthening the assumptions slightly, we derive an Edgeworth expansion that delivers exact convergence rates and, as a corollary, a Berry-Essรฉen bound on the bootstrap approximation error. Finally, we illustrate the scope of our results by obtaining parameter-free asymptotic distributions for practical statistics, including the quantiles for random walk MH, and rewards of ergodic MDP's, thereby demonstrating the usefulness of our theory in modern estimation and learning tasks.


Reliable Statistical Guarantees for Conformal Predictors with Small Datasets

arXiv.org Machine Learning

Surrogate models (including deep neural networks and other machine learning algorithms in supervised learning) are capable of approximating arbitrarily complex, high-dimensional input-output problems in science and engineering, but require a thorough data-agnostic uncertainty quantification analysis before these can be deployed for any safety-critical application. The standard approach for data-agnostic uncertainty quantification is to use conformal prediction (CP), a well-established framework to build uncertainty models with proven statistical guarantees that do not assume any shape for the error distribution of the surrogate model. However, since the classic statistical guarantee offered by CP is given in terms of bounds for the marginal coverage, for small calibration set sizes (which are frequent in realistic surrogate modelling that aims to quantify error at different regions), the potentially strong dispersion of the coverage distribution around its average negatively impacts the relevance of the uncertainty model's statistical guarantee, often obtaining coverages below the expected value, resulting in a less applicable framework. After providing a gentle presentation of uncertainty quantification for surrogate models for machine learning practitioners, in this paper we bridge the gap by proposing a new statistical guarantee that offers probabilistic information for the coverage of a single conformal predictor. We show that the proposed framework converges to the standard solution offered by CP for large calibration set sizes and, unlike the classic guarantee, still offers relevant information about the coverage of a conformal predictor for small data sizes. We validate the methodology in a suite of examples, and implement an open access software solution that can be used alongside common conformal prediction libraries to obtain uncertainty models that fulfil the new guarantee.


CLT and Edgeworth Expansion for m-out-of-n Bootstrap Estimators of The Studentized Median

arXiv.org Machine Learning

The m-out-of-n bootstrap, originally proposed by Bickel, Gotze, and Zwet (1992), approximates the distribution of a statistic by repeatedly drawing m subsamples (with m much smaller than n) without replacement from an original sample of size n. It is now routinely used for robust inference with heavy-tailed data, bandwidth selection, and other large-sample applications. Despite its broad applicability across econometrics, biostatistics, and machine learning, rigorous parameter-free guarantees for the soundness of the m-out-of-n bootstrap when estimating sample quantiles have remained elusive. This paper establishes such guarantees by analyzing the estimator of sample quantiles obtained from m-out-of-n resampling of a dataset of size n. We first prove a central limit theorem for a fully data-driven version of the estimator that holds under a mild moment condition and involves no unknown nuisance parameters. We then show that the moment assumption is essentially tight by constructing a counter-example in which the CLT fails. Strengthening the assumptions slightly, we derive an Edgeworth expansion that provides exact convergence rates and, as a corollary, a Berry Esseen bound on the bootstrap approximation error. Finally, we illustrate the scope of our results by deriving parameter-free asymptotic distributions for practical statistics, including the quantiles for random walk Metropolis-Hastings and the rewards of ergodic Markov decision processes, thereby demonstrating the usefulness of our theory in modern estimation and learning tasks.


Quantifying Uncertainty and Variability in Machine Learning: Confidence Intervals for Quantiles in Performance Metric Distributions

arXiv.org Artificial Intelligence

Machine learning models are widely used in applications where reliability and robustness are critical. Model evaluation often relies on single-point estimates of performance metrics such as accuracy, F1 score, or mean squared error, that fail to capture the inherent variability in model performance. This variability arises from multiple sources, including train-test split, weights initialization, and hyperparameter tuning. Investigating the characteristics of performance metric distributions, rather than focusing on a single point only, is essential for informed decision-making during model selection and optimization, especially in high-stakes settings. How does the performance metric vary due to intrinsic uncertainty in the selected modeling approach? For example, train-test split is modified, initial weights for optimization are modified or hyperparameter tuning is done using an algorithm with probabilistic nature? This is shifting the focus from identifying a single best model to understanding a distribution of the performance metric that captures variability across different training conditions. By running multiple experiments with varied settings, empirical distributions of performance metrics can be generated. Analyzing these distributions can lead to more robust models that generalize well across diverse scenarios. This contribution explores the use of quantiles and confidence intervals to analyze such distributions, providing a more complete understanding of model performance and its uncertainty. Aimed at a statistically interested audience within the machine learning community, the suggested approaches are easy to implement and apply to various performance metrics for classification and regression problems. Given the often long training times in ML, particular attention is given to small sample sizes (in the order of 10-25).


Normalizing Flows for Conformal Regression

arXiv.org Machine Learning

Conformal Prediction (CP) algorithms estimate the uncertainty of a prediction model by calibrating its outputs on labeled data. The same calibration scheme usually applies to any model and data without modifications. The obtained prediction intervals are valid by construction but could be inefficient, i.e. unnecessarily big, if the prediction errors are not uniformly distributed over the input space. We present a general scheme to localize the intervals by training the calibration process. The standard prediction error is replaced by an optimized distance metric that depends explicitly on the object attributes. Learning the optimal metric is equivalent to training a Normalizing Flow that acts on the joint distribution of the errors and the inputs. Unlike the Error Reweighting CP algorithm of Papadopoulos et al. (2008), the framework allows estimating the gap between nominal and empirical conditional validity. The approach is compatible with existing locally-adaptive CP strategies based on re-weighting the calibration samples and applies to any point-prediction model without retraining.


Statistically Optimal Robust Mean and Covariance Estimation for Anisotropic Gaussians

arXiv.org Artificial Intelligence

Assume that $X_{1}, \ldots, X_{N}$ is an $\varepsilon$-contaminated sample of $N$ independent Gaussian vectors in $\mathbb{R}^d$ with mean $\mu$ and covariance $\Sigma$. In the strong $\varepsilon$-contamination model we assume that the adversary replaced an $\varepsilon$ fraction of vectors in the original Gaussian sample by any other vectors. We show that there is an estimator $\widehat \mu$ of the mean satisfying, with probability at least $1 - \delta$, a bound of the form \[ \|\widehat{\mu} - \mu\|_2 \le c\left(\sqrt{\frac{\operatorname{Tr}(\Sigma)}{N}} + \sqrt{\frac{\|\Sigma\|\log(1/\delta)}{N}} + \varepsilon\sqrt{\|\Sigma\|}\right), \] where $c > 0$ is an absolute constant and $\|\Sigma\|$ denotes the operator norm of $\Sigma$. In the same contaminated Gaussian setup, we construct an estimator $\widehat \Sigma$ of the covariance matrix $\Sigma$ that satisfies, with probability at least $1 - \delta$, \[ \left\|\widehat{\Sigma} - \Sigma\right\| \le c\left(\sqrt{\frac{\|\Sigma\|\operatorname{Tr}(\Sigma)}{N}} + \|\Sigma\|\sqrt{\frac{\log(1/\delta)}{N}} + \varepsilon\|\Sigma\|\right). \] Both results are optimal up to multiplicative constant factors. Despite the recent significant interest in robust statistics, achieving both dimension-free bounds in the canonical Gaussian case remained open. In fact, several previously known results were either dimension-dependent and required $\Sigma$ to be close to identity, or had a sub-optimal dependence on the contamination level $\varepsilon$. As a part of the analysis, we derive sharp concentration inequalities for central order statistics of Gaussian, folded normal, and chi-squared distributions.


Comparing quantiles at scale in online A/B-testing - Spotify Engineering

#artificialintelligence

TL;DR: Using the properties of the Poisson bootstrap algorithm and quantile estimators, we have been able to reduce the computational complexity of Poisson bootstrap difference-in-quantiles confidence intervals enough to unlock bootstrap inference for almost arbitrary large samples. At Spotify, we can now easily calculate bootstrap confidence intervals for difference-in-quantiles in A/B tests with hundreds of millions of observations. In product development, the most common impact analysis of product changes is often summarized by the change in the average of some metric of interest. This is a natural measurement, since changes in an average, in many contexts, map more or less directly to changes in business value. In addition, averages have convenient mathematical properties that make it straightforward to quantify uncertainty in over-served changes.