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 Statistical Learning


Detecting Statistically Significant Fairness Violations in Recidivism Forecasting Algorithms

arXiv.org Artificial Intelligence

Machine learning algorithms are increasingly deployed in critical domains such as finance, healthcare, and criminal justice [1]. The increasing popularity of algorithmic decision-making has stimulated interest in algorithmic fairness within the academic community. Researchers have introduced various fairness definitions that quantify disparities between privileged and protected groups, use causal inference to determine the impact of race on model predictions, and that test calibration of probability predictions from the model. Existing literature does not provide a way in which to assess whether observed disparities between groups are statistically significant or merely due to chance. This paper introduces a rigorous framework for testing the statistical significance of fairness violations by leveraging k-fold cross-validation [2] to generate sampling distributions of fairness metrics. This paper introduces statistical tests that can be used to identify statistically significant violations of fairness metrics based on disparities between predicted and actual outcomes, model calibration, and causal inference techniques [1]. We demonstrate this approach by testing recidivism forecasting algorithms trained on data from the National Institute of Justice. Our findings reveal that machine learning algorithms used for recidivism forecasting exhibit statistically significant bias against Black individuals under several fairness definitions, while also exhibiting no bias or bias against White individuals under other definitions. The results from this paper underscore the importance of rigorous and robust statistical testing while evaluating algorithmic decision-making systems.


Bridging Constraints and Stochasticity: A Fully First-Order Method for Stochastic Bilevel Optimization with Linear Constraints

arXiv.org Machine Learning

This work provides the first finite-time convergence guarantees for linearly constrained stochastic bilevel optimization using only first-order methods, requiring solely gradient information without any Hessian computations or second-order derivatives. We address the unprecedented challenge of simultaneously handling linear constraints, stochastic noise, and finite-time analysis in bilevel optimization, a combination that has remained theoretically intractable until now. While existing approaches either require second-order information, handle only unconstrained stochastic problems, or provide merely asymptotic convergence results, our method achieves finite-time guarantees using gradient-based techniques alone. We develop a novel framework that constructs hypergradient approximations via smoothed penalty functions, using approximate primal and dual solutions to overcome the fundamental challenges posed by the interaction between linear constraints and stochastic noise. Our theoretical analysis provides explicit finite-time bounds on the bias and variance of the hypergradient estimator, demonstrating how approximation errors interact with stochastic perturbations. We prove that our first-order algorithm converges to $(ฮด, ฮต)$-Goldstein stationary points using $ฮ˜(ฮด^{-1}ฮต^{-5})$ stochastic gradient evaluations, establishing the first finite-time complexity result for this challenging problem class and representing a significant theoretical breakthrough in constrained stochastic bilevel optimization.


Scientific Data Compression and Super-Resolution Sampling

arXiv.org Machine Learning

Modern scientific simulations, observations, and large-scale experiments generate data at volumes that often exceed the limits of storage, processing, and analysis. This challenge drives the development of data reduction methods that efficiently manage massive datasets while preserving essential physical features and quantities of interest. In many scientific workflows, it is also crucial to enable data recovery from compressed representations - a task known as super-resolution - with guarantees on the preservation of key physical characteristics. A notable example is checkpointing and restarting, which is essential for long-running simulations to recover from failures, resume after interruptions, or examine intermediate results. In this work, we introduce a novel framework for scientific data compression and super-resolution, grounded in recent advances in learning exponential families. Our method preserves and quantifies uncertainty in physical quantities of interest and supports flexible trade-offs between compression ratio and reconstruction fidelity.


Nonparametric Estimation of Joint Entropy through Partitioned Sample-Spacing Method

arXiv.org Machine Learning

We propose a nonparametric estimator of multivariate joint entropy based on partitioned sample spacings (PSS). The method extends univariate spacing ideas to multivariate settings by partitioning the sample space into localized cells and aggregating within-cell statistics, with strong consistency guarantees under mild conditions. In benchmarks across diverse distributions, PSS consistently outperforms k-nearest neighbor estimators and achieves accuracy competitive with recent normalizing flow-based methods, while requiring no training or auxiliary density modeling. The estimator scales favorably in moderately high dimensions (d = 10 to 40) and shows particular robustness to correlated or skewed distributions. These properties position PSS as a practical alternative to normalizing flow-based approaches, with broad potential in information-theoretic machine learning applications.


The Shape of Data: Topology Meets Analytics. A Practical Introduction to Topological Analytics and the Stability Index (TSI) in Business

arXiv.org Machine Learning

Modern business and economic datasets often exhibit nonlinear, multi-scale structures that traditional linear tools under-represent. Topological Data Analysis (TDA) offers a geometric lens for uncovering robust patterns, such as connected components, loops and voids, across scales. This paper provides an intuitive, figure-driven introduction to persistent homology and a practical, reproducible TDA pipeline for applied analysts. Through comparative case studies in consumer behavior, equity markets (SAX/eSAX vs.\ TDA) and foreign exchange dynamics, we demonstrate how topological features can reveal segmentation patterns and structural relationships beyond classical statistical methods. We discuss methodological choices regarding distance metrics, complex construction and interpretation, and we introduce the \textit{Topological Stability Index} (TSI), a simple yet interpretable indicator of structural variability derived from persistence lifetimes. We conclude with practical guidelines for TDA implementation, visualization and communication in business and economic analytics.


Laplace Learning in Wasserstein Space

arXiv.org Machine Learning

The curation of large-scale, fully annotated training datasets remains a major bottleneck due to the high cost and expertise required for manual labelling. For example, in biomedical imaging applications such as flow cytom-etry [12, 67], gene expression microarrays [23, 24], and proteomic assays [18], modern technologies generate high-dimensional data far faster than it can be annotated. As a result, only a small fraction of samples receive reliable labels, despite their routine use in classification tasks. This motivates graph-based semi-supervised methods, which exploits the geometric structure of the data to improve predictions with limited supervision. In this paper, we focus on a special class of graph-based semi-supervised methods, namely Laplace Learning [68], to study classification in high-dimensional settings. This method exploits the geometric structure inherent in large quantities of unlabelled data to improve label predictions. However, leveraging the underlying geometry in high-dimensional datasets presents substantial challenges, including the well-known curse of dimensionality [22, 44] and poor generalization capacity [18]. In theory, a well-established trend in statistics suggests that high-dimensional data often possess an intrinsic low-dimensional structure, a concept formalized by the manifold hypothesis [25]. This hypothesis asserts that data are supported (or nearly supported) on a low-dimensional manifold with a small intrinsic dimension.


Benign Overfitting in Linear Classifiers with a Bias Term

arXiv.org Machine Learning

Modern machine learning models with a large number of parameters often generalize well despite perfectly interpolating noisy training data - a phenomenon known as benign overfitting. A foundational explanation for this in linear classification was recently provided by Hashimoto et al. (2025). However, this analysis was limited to the setting of "homogeneous" models, which lack a bias (intercept) term - a standard component in practice. This work directly extends Hashimoto et al.'s results to the more realistic inhomogeneous case, which incorporates a bias term. Our analysis proves that benign overfitting persists in these more complex models. We find that the presence of the bias term introduces new constraints on the data's covariance structure required for generalization, an effect that is particularly pronounced when label noise is present. However, we show that in the isotropic case, these new constraints are dominated by the requirements inherited from the homogeneous model. This work provides a more complete picture of benign overfitting, revealing the non-trivial impact of the bias term on the conditions required for good generalization.


DIGing--SGLD: Decentralized and Scalable Langevin Sampling over Time--Varying Networks

arXiv.org Machine Learning

Sampling from a target distribution induced by training data is central to Bayesian learning, with Stochastic Gradient Langevin Dynamics (SGLD) serving as a key tool for scalable posterior sampling and decentralized variants enabling learning when data are distributed across a network of agents. This paper introduces DIGing-SGLD, a decentralized SGLD algorithm designed for scalable Bayesian learning in multi-agent systems operating over time-varying networks. Existing decentralized SGLD methods are restricted to static network topologies, and many exhibit steady-state sampling bias caused by network effects, even when full batches are used. DIGing-SGLD overcomes these limitations by integrating Langevin-based sampling with the gradient-tracking mechanism of the DIGing algorithm, originally developed for decentralized optimization over time-varying networks, thereby enabling efficient and bias-free sampling without a central coordinator. To our knowledge, we provide the first finite-time non-asymptotic Wasserstein convergence guarantees for decentralized SGLD-based sampling over time-varying networks, with explicit constants. Under standard strong convexity and smoothness assumptions, DIGing-SGLD achieves geometric convergence to an $O(\sqrtฮท)$ neighborhood of the target distribution, where $ฮท$ is the stepsize, with dependence on the target accuracy matching the best-known rates for centralized and static-network SGLD algorithms using constant stepsize. Numerical experiments on Bayesian linear and logistic regression validate the theoretical results and demonstrate the strong empirical performance of DIGing-SGLD under dynamically evolving network conditions.


Function-on-Function Bayesian Optimization

arXiv.org Machine Learning

Bayesian optimization (BO) has been widely used to optimize expensive and gradient-free objective functions across various domains. However, existing BO methods have not addressed the objective where both inputs and outputs are functions, which increasingly arise in complex systems as advanced sensing technologies. To fill this gap, we propose a novel function-on-function Bayesian optimization (FFBO) framework. Specifically, we first introduce a function-on-function Gaussian process (FFGP) model with a separable operator-valued kernel to capture the correlations between function-valued inputs and outputs. Compared to existing Gaussian process models, FFGP is modeled directly in the function space. Based on FFGP, we define a scalar upper confidence bound (UCB) acquisition function using a weighted operator-based scalarization strategy. Then, a scalable functional gradient ascent algorithm (FGA) is developed to efficiently identify the optimal function-valued input. We further analyze the theoretical properties of the proposed method. Extensive experiments on synthetic and real-world data demonstrate the superior performance of FFBO over existing approaches.


Calibrated Decomposition of Aleatoric and Epistemic Uncertainty in Deep Features for Inference-Time Adaptation

arXiv.org Machine Learning

Most estimators collapse all uncertainty modes into a single confidence score, preventing reliable reasoning about when to allocate more compute or adjust inference. W e introduce Uncertainty-Guided Inference-Time Selection, a lightweight inference time framework that disentangles aleatoric (data-driven) and epistemic (model-driven) uncertainty directly in deep feature space. Aleatoric uncertainty is estimated using a regularized global density model, while epistemic uncertainty is formed from three complementary components that capture local support deficiency, manifold spectral collapse, and cross-layer feature inconsistency. These components are empirically orthogonal and require no sampling, no ensembling, and no additional forward passes. W e integrate the decomposed uncertainty into a distribution free conformal calibration procedure that yields significantly tighter prediction intervals at matched coverage. Using these components for uncertainty guided adaptive model selection reduces compute by approximately 60 percent on MOT17 with negligible accuracy loss, enabling practical self regulating visual inference. Additionally, our ablation results show that the proposed orthogonal uncertainty decomposition consistently yields higher computational savings across all MOT17 sequences, improving margins by 13.6 percentage points over the total-uncertainty baseline.