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 Statistical Learning


VSCOUT: A Hybrid Variational Autoencoder Approach to Outlier Detection in High-Dimensional Retrospective Monitoring

arXiv.org Machine Learning

Modern industrial and service processes generate high-dimensional, non-Gaussian, and contamination-prone data that challenge the foundational assumptions of classical Statistical Process Control (SPC). Heavy tails, multimodality, nonlinear dependencies, and sparse special-cause observations can distort baseline estimation, mask true anomalies, and prevent reliable identification of an in-control (IC) reference set. To address these challenges, we introduce VSCOUT, a distribution-free framework designed specifically for retrospective (Phase I) monitoring in high-dimensional settings. VSCOUT combines an Automatic Relevance Determination Variational Autoencoder (ARD-VAE) architecture with ensemble-based latent outlier filtering and changepoint detection. The ARD prior isolates the most informative latent dimensions, while the ensemble and changepoint filters identify pointwise and structural contamination within the determined latent space. A second-stage retraining step removes flagged observations and re-estimates the latent structure using only the retained inliers, mitigating masking and stabilizing the IC latent manifold. This two-stage refinement produces a clean and reliable IC baseline suitable for subsequent Phase II deployment. Extensive experiments across benchmark datasets demonstrate that VSCOUT achieves superior sensitivity to special-cause structure while maintaining controlled false alarms, outperforming classical SPC procedures, robust estimators, and modern machine-learning baselines. Its scalability, distributional flexibility, and resilience to complex contamination patterns position VSCOUT as a practical and effective method for retrospective modeling and anomaly detection in AI-enabled environments.


Regime-Adaptive Bayesian Optimization via Dirichlet Process Mixtures of Gaussian Processes

arXiv.org Machine Learning

Standard Bayesian Optimization (BO) assumes uniform smoothness across the search space an assumption violated in multi-regime problems such as molecular conformation search through distinct energy basins or drug discovery across heterogeneous molecular scaffolds. A single GP either oversmooths sharp transitions or hallucinates noise in smooth regions, yielding miscalibrated uncertainty. We propose RAMBO, a Dirichlet Process Mixture of Gaussian Processes that automatically discovers latent regimes during optimization, each modeled by an independent GP with locally-optimized hyperparameters. We derive collapsed Gibbs sampling that analytically marginalizes latent functions for efficient inference, and introduce adaptive concentration parameter scheduling for coarse-to-fine regime discovery. Our acquisition functions decompose uncertainty into intra-regime and inter-regime components. Experiments on synthetic benchmarks and real-world applications, including molecular conformer optimization, virtual screening for drug discovery, and fusion reactor design, demonstrate consistent improvements over state-of-the-art baselines on multi-regime objectives.


Demystifying Prediction Powered Inference

arXiv.org Machine Learning

Machine learning predictions are increasingly used to supplement incomplete or costly-to-measure outcomes in fields such as biomedical research, environmental science, and social science. However, treating predictions as ground truth introduces bias while ignoring them wastes valuable information. Prediction-Powered Inference (PPI) offers a principled framework that leverages predictions from large unlabeled datasets to improve statistical efficiency while maintaining valid inference through explicit bias correction using a smaller labeled subset. Despite its potential, the growing PPI variants and the subtle distinctions between them have made it challenging for practitioners to determine when and how to apply these methods responsibly. This paper demystifies PPI by synthesizing its theoretical foundations, methodological extensions, connections to existing statistics literature, and diagnostic tools into a unified practical workflow. Using the Mosaiks housing price data, we show that PPI variants produce tighter confidence intervals than complete-case analysis, but that double-dipping, i.e. reusing training data for inference, leads to anti-conservative confidence intervals and coverages. Under missing-not-at-random mechanisms, all methods, including classical inference using only labeled data, yield biased estimates. We provide a decision flowchart linking assumption violations to appropriate PPI variants, a summary table of selective methods, and practical diagnostic strategies for evaluating core assumptions. By framing PPI as a general recipe rather than a single estimator, this work bridges methodological innovation and applied practice, helping researchers responsibly integrate predictions into valid inference.


Classifier Calibration at Scale: An Empirical Study of Model-Agnostic Post-Hoc Methods

arXiv.org Machine Learning

We study model-agnostic post-hoc calibration methods intended to improve probabilistic predictions in supervised binary classification on real i.i.d. tabular data, with particular emphasis on conformal and Venn-based approaches that provide distribution-free validity guarantees under exchangeability. We benchmark 21 widely used classifiers, including linear models, SVMs, tree ensembles (CatBoost, XGBoost, LightGBM), and modern tabular neural and foundation models, on binary tasks from the TabArena-v0.1 suite using randomized, stratified five-fold cross-validation with a held-out test fold. Five calibrators; Isotonic regression, Platt scaling, Beta calibration, Venn-Abers predictors, and Pearsonify are trained on a separate calibration split and applied to test predictions. Calibration is evaluated using proper scoring rules (log-loss and Brier score) and diagnostic measures (Spiegelhalter's Z, ECE, and ECI), alongside discrimination (AUC-ROC) and standard classification metrics. Across tasks and architectures, Venn-Abers predictors achieve the largest average reductions in log-loss, followed closely by Beta calibration, while Platt scaling exhibits weaker and less consistent effects. Beta calibration improves log-loss most frequently across tasks, whereas Venn-Abers displays fewer instances of extreme degradation and slightly more instances of extreme improvement. Importantly, we find that commonly used calibration procedures, most notably Platt scaling and isotonic regression, can systematically degrade proper scoring performance for strong modern tabular models. Overall classification performance is often preserved, but calibration effects vary substantially across datasets and architectures, and no method dominates uniformly. In expectation, all methods except Pearsonify slightly increase accuracy, but the effect is marginal, with the largest expected gain about 0.008%.


Incorporating data drift to perform survival analysis on credit risk

arXiv.org Machine Learning

Survival analysis has become a standard approach for modelling time to default by time-varying covariates in credit risk. Unlike most existing methods that implicitly assume a stationary data-generating process, in practise, mortgage portfolios are exposed to various forms of data drift caused by changing borrower behaviour, macroeconomic conditions, policy regimes and so on. This study investigates the impact of data drift on survival-based credit risk models and proposes a dynamic joint modelling framework to improve robustness under non-stationary environments. The proposed model integrates a longitudinal behavioural marker derived from balance dynamics with a discrete-time hazard formulation, combined with landmark one-hot encoding and isotonic calibration. Three types of data drift (sudden, incremental and recurring) are simulated and analysed on mortgage loan datasets from Freddie Mac. Experiments and corresponding evidence show that the proposed landmark-based joint model consistently outperforms classical survival models, tree-based drift-adaptive learners and gradient boosting methods in terms of discrimination and calibration across all drift scenarios, which confirms the superiority of our model design.


Robust Distributed Learning under Resource Constraints: Decentralized Quantile Estimation via (Asynchronous) ADMM

arXiv.org Machine Learning

Specifications for decentralized learning on resource-constrained edge devices require algorithms that are communication-efficient, robust to data corruption, and lightweight in memory usage. While state-of-the-art gossip-based methods satisfy the first requirement, achieving robustness remains challenging. Asynchronous decentralized ADMM-based methods have been explored for estimating the median, a statistical centrality measure that is notoriously more robust than the mean. However, existing approaches require memory that scales with node degree, making them impractical when memory is limited. In this paper, we propose AsylADMM, a novel gossip algorithm for decentralized median and quantile estimation, primarily designed for asynchronous updates and requiring only two variables per node. We analyze a synchronous variant of AsylADMM to establish theoretical guarantees and empirically demonstrate fast convergence for the asynchronous algorithm. We then show that our algorithm enables quantile-based trimming, geometric median estimation, and depth-based trimming, with quantile-based trimming empirically outperforming existing rank-based methods. Finally, we provide a novel theoretical analysis of rank-based trimming via Markov chain theory.


Vector-Valued Distributional Reinforcement Learning Policy Evaluation: A Hilbert Space Embedding Approach

arXiv.org Machine Learning

We propose an (offline) multi-dimensional distributional reinforcement learning framework (KE-DRL) that leverages Hilbert space mappings to estimate the kernel mean embedding of the multi-dimensional value distribution under a proposed target policy. In our setting, the state-action variables are multi-dimensional and continuous. By mapping probability measures into a reproducing kernel Hilbert space via kernel mean embeddings, our method replaces Wasserstein metrics with an integral probability metric. This enables efficient estimation in multi-dimensional state-action spaces and reward settings, where direct computation of Wasserstein distances is computationally challenging. Theoretically, we establish contraction properties of the distributional Bellman operator under our proposed metric involving the Matern family of kernels and provide uniform convergence guarantees. Simulations and empirical results demonstrate robust off-policy evaluation and recovery of the kernel mean embedding under mild assumptions, namely, Lipschitz continuity and boundedness of the kernels, highlighting the potential of embedding-based approaches in complex real-world decision-making scenarios and risk evaluation.


Regularized $f$-Divergence Kernel Tests

arXiv.org Machine Learning

We propose a framework to construct practical kernel-based two-sample tests from the family of $f$-divergences. The test statistic is computed from the witness function of a regularized variational representation of the divergence, which we estimate using kernel methods. The proposed test is adaptive over hyperparameters such as the kernel bandwidth and the regularization parameter. We provide theoretical guarantees for statistical test power across our family of $f$-divergence estimates. While our test covers a variety of $f$-divergences, we bring particular focus to the Hockey-Stick divergence, motivated by its applications to differential privacy auditing and machine unlearning evaluation. For two-sample testing, experiments demonstrate that different $f$-divergences are sensitive to different localized differences, illustrating the importance of leveraging diverse statistics. For machine unlearning, we propose a relative test that distinguishes true unlearning failures from safe distributional variations.


Direct Doubly Robust Estimation of Conditional Quantile Contrasts

arXiv.org Machine Learning

Within heterogeneous treatment effect (HTE) analysis, various estimands have been proposed to capture the effect of a treatment conditional on covariates. Recently, the conditional quantile comparator (CQC) has emerged as a promising estimand, offering quantile-level summaries akin to the conditional quantile treatment effect (CQTE) while preserving some interpretability of the conditional average treatment effect (CATE). It achieves this by summarising the treated response conditional on both the covariates and the untreated response. Despite these desirable properties, the CQC's current estimation is limited by the need to first estimate the difference in conditional cumulative distribution functions and then invert it. This inversion obscures the CQC estimate, hampering our ability to both model and interpret it. To address this, we propose the first direct estimator of the CQC, allowing for explicit modelling and parameterisation. This explicit parameterisation enables better interpretation of our estimate while also providing a means to constrain and inform the model. We show, both theoretically and empirically, that our estimation error depends directly on the complexity of the CQC itself, improving upon the existing estimation procedure. Furthermore, it retains the desirable double robustness property with respect to nuisance parameter estimation. We further show our method to outperform existing procedures in estimation accuracy across multiple data scenarios while varying sample size and nuisance error. Finally, we apply it to real-world data from an employment scheme, uncovering a reduced range of potential earnings improvement as participant age increases.


Prediction Markets as Bayesian Inverse Problems: Uncertainty Quantification, Identifiability, and Information Gain from Price-Volume Histories under Latent Types

arXiv.org Machine Learning

Prediction markets are often described as mechanisms that ``aggregate information'' into prices, yet the mapping from dispersed private information to observed market histories is typically noisy, endogenous, and shaped by heterogeneous and strategic participation. This paper formulates prediction markets as Bayesian inverse problems in which the unknown event outcome \(Y\in\{0,1\}\) is inferred from an observed history of market-implied probabilities and traded volumes. We introduce a mechanism-agnostic observation model in log-odds space in which price increments conditional on volume arise from a latent mixture of trader types. The resulting likelihood class encompasses informed and uninformed trading, heavy-tailed microstructure noise, and adversarial or manipulative flow, while requiring only price and volume as observables. Within this framework we define posterior uncertainty quantification for \(Y\), provide identifiability and well-posedness criteria in terms of Kullback--Leibler separation between outcome-conditional increment laws, and derive posterior concentration statements and finite-sample error bounds under general regularity assumptions. We further study stability of posterior odds to perturbations of the observed price--volume path and define realized and expected information gain via the posterior-vs-prior KL divergence and mutual information. The inverse-problem formulation yields explicit diagnostics for regimes in which market histories are informative and stable versus regimes in which inference is ill-posed due to type-composition confounding or outcome--nuisance symmetries. Extensive experiments on synthetic data validate our theoretical predictions regarding posterior concentration rates and identifiability thresholds.