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 Statistical Learning


Natural Hypergradient Descent: Algorithm Design, Convergence Analysis, and Parallel Implementation

arXiv.org Machine Learning

In this work, we propose Natural Hypergradient Descent (NHGD), a new method for solving bilevel optimization problems. To address the computational bottleneck in hypergradient estimation--namely, the need to compute or approximate Hessian inverse--we exploit the statistical structure of the inner optimization problem and use the empirical Fisher information matrix as an asymptotically consistent surrogate for the Hessian. This design enables a parallel optimize-and-approximate framework in which the Hessian-inverse approximation is updated synchronously with the stochastic inner optimization, reusing gradient information at negligible additional cost. Our main theoretical contribution establishes high-probability error bounds and sample complexity guarantees for NHGD that match those of state-of-the-art optimize-then-approximate methods, while significantly reducing computational time overhead. Empirical evaluations on representative bilevel learning tasks further demonstrate the practical advantages of NHGD, highlighting its scalability and effectiveness in large-scale machine learning settings.


Beyond Kemeny Medians: Consensus Ranking Distributions Definition, Properties and Statistical Learning

arXiv.org Machine Learning

In this article we develop a new method for summarizing a ranking distribution, \textit{i.e.} a probability distribution on the symmetric group $\mathfrak{S}_n$, beyond the classical theory of consensus and Kemeny medians. Based on the notion of \textit{local ranking median}, we introduce the concept of \textit{consensus ranking distribution} ($\crd$), a sparse mixture model of Dirac masses on $\mathfrak{S}_n$, in order to approximate a ranking distribution with small distortion from a mass transportation perspective. We prove that by choosing the popular Kendall $ฯ„$ distance as the cost function, the optimal distortion can be expressed as a function of pairwise probabilities, paving the way for the development of efficient learning methods that do not suffer from the lack of vector space structure on $\mathfrak{S}_n$. In particular, we propose a top-down tree-structured statistical algorithm that allows for the progressive refinement of a CRD based on ranking data, from the Dirac mass at a Kemeny median at the root of the tree to the empirical ranking data distribution itself at the end of the tree's exhaustive growth. In addition to the theoretical arguments developed, the relevance of the algorithm is empirically supported by various numerical experiments.


Weighting-Based Identification and Estimation in Graphical Models of Missing Data

arXiv.org Machine Learning

We propose a constructive algorithm for identifying complete data distributions in graphical models of missing data. The complete data distribution is unrestricted, while the missingness mechanism is assumed to factorize according to a conditional directed acyclic graph. Our approach follows an interventionist perspective in which missingness indicators are treated as variables that can be intervened on. A central challenge in this setting is that sequences of interventions on missingness indicators may induce and propagate selection bias, so that identification can fail even when a propensity score is invariant to available interventions. To address this challenge, we introduce a tree-based identification algorithm that explicitly tracks the creation and propagation of selection bias and determines whether it can be avoided through admissible intervention strategies. The resulting tree provides both a diagnostic and a constructive characterization of identifiability under a given missingness mechanism. Building on these results, we develop recursive inverse probability weighting procedures that mirror the intervention logic of the identification algorithm, yielding valid estimating equations for both the missingness mechanism and functionals of the complete data distribution. Simulation studies and a real-data application illustrate the practical performance of the proposed methods. An accompanying R package, flexMissing, implements all proposed procedures.


Statistical Inference and Learning for Shapley Additive Explanations (SHAP)

arXiv.org Machine Learning

The SHAP (short for Shapley additive explanation) framework has become an essential tool for attributing importance to variables in predictive tasks. In model-agnostic settings, SHAP uses the concept of Shapley values from cooperative game theory to fairly allocate credit to the features in a vector $X$ based on their contribution to an outcome $Y$. While the explanations offered by SHAP are local by nature, learners often need global measures of feature importance in order to improve model explainability and perform feature selection. The most common approach for converting these local explanations into global ones is to compute either the mean absolute SHAP or mean squared SHAP. However, despite their ubiquity, there do not exist approaches for performing statistical inference on these quantities. In this paper, we take a semi-parametric approach for calibrating confidence in estimates of the $p$th powers of Shapley additive explanations. We show that, by treating the SHAP curve as a nuisance function that must be estimated from data, one can reliably construct asymptotically normal estimates of the $p$th powers of SHAP. When $p \geq 2$, we show a de-biased estimator that combines U-statistics with Neyman orthogonal scores for functionals of nested regressions is asymptotically normal. When $1 \leq p < 2$ (and the hence target parameter is not twice differentiable), we construct de-biased U-statistics for a smoothed alternative. In particular, we show how to carefully tune the temperature parameter of the smoothing function in order to obtain inference for the true, unsmoothed $p$th power. We complement these results by presenting a Neyman orthogonal loss that can be used to learn the SHAP curve via empirical risk minimization and discussing excess risk guarantees for commonly used function classes.


A Non-asymptotic Analysis for Learning and Applying a Preconditioner in MCMC

arXiv.org Machine Learning

Preconditioning is a common method applied to modify Markov chain Monte Carlo algorithms with the goal of making them more efficient. In practice it is often extremely effective, even when the preconditioner is learned from the chain. We analyse and compare the finite-time computational costs of schemes which learn a preconditioner based on the target covariance or the expected Hessian of the target potential with that of a corresponding scheme that does not use preconditioning. We apply our results to the Unadjusted Langevin Algorithm (ULA) for an appropriately regular target, establishing non-asymptotic guarantees for preconditioned ULA which learns its preconditioner. Our results are also applied to the unadjusted underdamped Langevin algorithm in the supplementary material. To do so, we establish non-asymptotic guarantees on the time taken to collect $N$ approximately independent samples from the target for schemes that learn their preconditioners under the assumption that the underlying Markov chain satisfies a contraction condition in the Wasserstein-2 distance. This approximate independence condition, that we formalize, allows us to bridge the non-asymptotic bounds of modern MCMC theory and classical heuristics of effective sample size and mixing time, and is needed to amortise the costs of learning a preconditioner across the many samples it will be used to produce.


Do More Predictions Improve Statistical Inference? Filtered Prediction-Powered Inference

arXiv.org Machine Learning

Recent advances in artificial intelligence have enabled the generation of large-scale, low-cost predictions with increasingly high fidelity. As a result, the primary challenge in statistical inference has shifted from data scarcity to data reliability. Prediction-powered inference methods seek to exploit such predictions to improve efficiency when labeled data are limited. However, existing approaches implicitly adopt a use-all philosophy, under which incorporating more predictions is presumed to improve inference. When prediction quality is heterogeneous, this assumption can fail, and indiscriminate use of unlabeled data may dilute informative signals and degrade inferential accuracy. In this paper, we propose Filtered Prediction-Powered Inference (FPPI), a framework that selectively incorporates predictions by identifying a data-adaptive filtered region in which predictions are informative for inference. We show that this region can be consistently estimated under a margin condition, achieving fast rates of convergence. By restricting the prediction-powered correction to the estimated filtered region, FPPI adaptively mitigates the impact of biased or noisy predictions. We establish that FPPI attains strictly improved asymptotic efficiency compared with existing prediction-powered inference methods. Numerical studies and a real-data application to large language model evaluation demonstrate that FPPI substantially reduces reliance on expensive labels by selectively leveraging reliable predictions, yielding accurate inference even in the presence of heterogeneous prediction quality.


Deep Bootstrap

arXiv.org Machine Learning

As a result, the demands for interval estimation, and consequently for its validity and precision, have experienced a sustained increase over time and are reflected in a number of recent studies. For example, in proteomics, confidence intervals are employed to assess the association between post-translational modifications and intrinsically disordered regions of proteins, validating hypotheses derived from predictive models and facilitating large-scale functional analyses (Tunyasuvunakool et al., 2021; Bludau et al., 2022). In genomic research, confidence intervals are leveraged to characterize the distribution of gene expression levels, enabling robust inferences about promoter sequence effects and genetic variability (Vaishnav et al., 2022). In the realm of environmental science, interval estimation can be used to monitor deforestation rates of forests, yielding uncertainty-aware insights critical for climate policy formulation (Bullock et al., 2020). As for social sciences, confidence intervals are utilized to evaluate relationships between socioeconomic factors, bolstering the robustness of conclusions drawn from census data (Ding et al., 2021).


Deep Learning of Compositional Targets with Hierarchical Spectral Methods

arXiv.org Machine Learning

Why depth yields a genuine computational advantage over shallow methods remains a central open question in learning theory. We study this question in a controlled high-dimensional Gaussian setting, focusing on compositional target functions. We analyze their learnability using an explicit three-layer fitting model trained via layer-wise spectral estimators. Although the target is globally a high-degree polynomial, its compositional structure allows learning to proceed in stages: an intermediate representation reveals structure that is inaccessible at the input level. This reduces learning to simpler spectral estimation problems, well studied in the context of multi-index models, whereas any shallow estimator must resolve all components simultaneously. Our analysis relies on Gaussian universality, leading to sharp separations in sample complexity between two and three-layer learning strategies.


Generalized Robust Adaptive-Bandwidth Multi-View Manifold Learning in High Dimensions with Noise

arXiv.org Machine Learning

Multiview datasets are common in scientific and engineering applications, yet existing fusion methods offer limited theoretical guarantees, particularly in the presence of heterogeneous and high-dimensional noise. We propose Generalized Robust Adaptive-Bandwidth Multiview Diffusion Maps (GRAB-MDM), a new kernel-based diffusion geometry framework for integrating multiple noisy data sources. The key innovation of GRAB-MDM is a {view}-dependent bandwidth selection strategy that adapts to the geometry and noise level of each view, enabling a stable and principled construction of multiview diffusion operators. Under a common-manifold model, we establish asymptotic convergence results and show that the adaptive bandwidths lead to provably robust recovery of the shared intrinsic structure, even when noise levels and sensor dimensions differ across views. Numerical experiments demonstrate that GRAB-MDM significantly improves robustness and embedding quality compared with fixed-bandwidth and equal-bandwidth baselines, and usually outperform existing algorithms. The proposed framework offers a practical and theoretically grounded solution for multiview sensor fusion in high-dimensional noisy environments.


A Doubly Robust Machine Learning Approach for Disentangling Treatment Effect Heterogeneity with Functional Outcomes

arXiv.org Machine Learning

Causal inference is paramount for understanding the effects of interventions, yet extracting personalized insights from increasingly complex data remains a significant challenge for modern machine learning. This is the case, in particular, when considering functional outcomes observed over a continuous domain (e.g., time, or space). Estimation of heterogeneous treatment effects, known as CATE, has emerged as a crucial tool for personalized decision-making, but existing meta-learning frameworks are largely limited to scalar outcomes, failing to provide satisfying results in scientific applications that leverage the rich, continuous information encoded in functional data. Here, we introduce FOCaL (Functional Outcome Causal Learning), a novel, doubly robust meta-learner specifically engineered to estimate a functional heterogeneous treatment effect (F-CATE). FOCaL integrates advanced functional regression techniques for both outcome modeling and functional pseudo-outcome reconstruction, thereby enabling the direct and robust estimation of F-CATE. We provide a rigorous theoretical derivation of FOCaL, demonstrate its performance and robustness compared to existing non-robust functional methods through comprehensive simulation studies, and illustrate its practical utility on diverse real-world functional datasets. FOCaL advances the capabilities of machine intelligence to infer nuanced, individualized causal effects from complex data, paving the way for more precise and trustworthy AI systems in personalized medicine, adaptive policy design, and fundamental scientific discovery.