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Aligning Evaluation with Clinical Priorities: Calibration, Label Shift, and Error Costs

Neural Information Processing Systems

Machine learning-based decision support systems are increasingly deployed in clinical settings, where probabilistic scoring functions are used to inform and prioritize patient management decisions. However, widely used scoring rules, such as accuracy and AUC-ROC, fail to adequately reflect key clinical priorities, including calibration, robustness to distributional shifts, and sensitivity to asymmetric error costs. In this work, we propose a principled yet practical evaluation framework for selecting calibrated thresholded classifiers that explicitly accounts for uncertainty in class prevalences and domain-specific cost asymmetries. Building on the theory of proper scoring rules, particularly the Schervish representation, we derive an adjusted variant of cross-entropy (log score) that averages cost-weighted performance over clinically relevant ranges of class balance. The resulting evaluation is simple to apply, sensitive to clinical deployment conditions, and designed to prioritize models that are both calibrated and robust to real-world variations.


Few-shot Cross-country Generalization of Tabular Machine Learning and Foundation Models for Childhood Anemia Prediction under Distribution Shift

arXiv.org Machine Learning

Background Childhood Anemia affects an estimated 40% of children aged 6-59 months globally and arises from heterogeneous nutritional, infectious, and socioeconomic factors that vary substantially across settings. This variability challenges the generalizability of predictive machine learning models, which often degrade under cross-population or temporal shifts. We investigated the utility a modern transformer-based tabular foundation model (TabPFN) as a complementatry framework with respect to supervised classical machine learning methods across diverse country contexts, with particular attention to data-scarce settings where surveillance capacity is most limited. Methods We conducted a multi-country prediction study using Demographic and Health Surveys (DHS) children's recode data from 16 countries spanning Africa, Asia, Latin America, the Caucasus, and the Middle East. The harmonized analytic cohort comprised of (n = 68,856)children aged 6-59 months with valid hemoglobin measurements. Anemia was defined using WHO age and altitude-adjusted thresholds and treated as a binary outcome. We trained Logistic Regression, XGBoost, and LightGBM models using standard supervised learning, and evaluated TabPFN v2.6 in an in-context learning setting. Performance was assessed using Area Under the Receiver Operating Characteristic Curve (AUC-ROC) and other standard classification metrics, with calibration evaluated via Brier score and expected calibration error (ECE). Uncertainty in performance estimates was quantified using bootstrap resampling to derive 95% confidence intervals. Robustness was assessed in a few-shot learning setting. Cross-population generalization was examined using leave-one-country-out (LOCO) validation and reverse-LOCO experiments to assess directional transferability. Subgroup analyses were conducted across five demographic strata: child age group, sex, maternal education, residence type, and household wealth quintile. Feature importance was assessed using standard linear and tree-based explainer SHAP values for the three supervised models and an adapted version of SHAP for TabPFN, aggregated across countries and examined at the country level. TabPFN also yielded the best probabilistic calibration across all 16 countries, achieving the lowest mean Brier score (0.203) and Expected Calibration Error (ECE = 0.042) of all models evaluated; LightGBM and Logistic Regression exhibited the greatest miscalibration, particularly at higher predicted probabilities. Under full-data conditions, within-country discrimination was moderate across all models (AUC-ROC 0.59-0.76) Under LOCO validation, performance declined modestly (AUC-ROC 0.58-0.69) Reverse-LOCO analyses revealed asymmetric and directional transferability, with epidemiologically diverse populations serving as more informative training sources and certain target populations remaining persistently difficult to predict regardless of model or training data.


The Manokhin Probability Matrix: A Diagnostic Framework for Classifier Probability Quality

arXiv.org Machine Learning

The Brier score conflates two distinct properties of probabilistic predictions: reliability (calibration error) and resolution (discriminatory power). We introduce the Manokhin Probability Matrix, a BCG-style two-dimensional diagnostic framework that separates them. Classifiers are placed on a 2x2 grid by Spiegelhalter Z-statistic and AUC-ROC expected rank, then assigned to one of four archetypes: Eagle (good on both axes), Bull (strong discrimination, poor calibration), Sloth (well-calibrated, weak discriminator), and Mole (poor on both). Each archetype carries a distinct prescription. We populate the matrix from a large-scale empirical study spanning 21 classifiers, 5 post-hoc calibrators, and 30 real-world binary classification tasks from the TabArena-v0.1 suite. The assignment is unambiguous. CatBoost, TabICL, EBM, TabPFN, GBC, and Random Forest are Eagles. XGBoost, LightGBM, and HGB are Bulls; Venn-Abers calibration cuts log-loss by 6.5 to 12.6% on Bulls but degrades Eagles by 2.1%. SVM, LR, LDA, and the empirical base-rate predictor are Sloths. MLP, KNN, Naive Bayes, and ExtraTrees are Moles. A theoretical asymmetry follows: no order-preserving post-hoc calibrator can add discriminatory power (Proposition 1), so calibration is the fixable part and discrimination is the hard part. The practical rule is direct: do not optimise aggregate Brier score without first decomposing it; optimise discrimination first, then fix calibration post-hoc. Code and raw experimental data are available at https://github.com/valeman/classifier_calibration.


The Truncation Blind Spot: How Decoding Strategies Systematically Exclude Human-Like Token Choices

arXiv.org Machine Learning

Standard decoding strategies for text generation, including top-k, nucleus sampling, and contrastive search, select tokens based on likelihood, restricting selection to high-probability regions. Human language production operates differently: tokens are chosen for communicative appropriateness rather than statistical frequency. This mismatch creates a truncation blind spot: contextually appropriate but statistically rare tokens remain accessible to humans yet unreachable by likelihood-based decoding. We hypothesize this contributes to the detectability of machine-generated text. Analyzing over 1.8 million texts across eight language models, five decoding strategies, and 53 hyperparameter configurations, we find that 8-18% of human-selected tokens fall outside typical truncation boundaries. Simple classifiers trained on predictability and lexical diversity achieve remarkable detection rates. Crucially, neither model scale nor architecture correlates strongly with detectability; truncation parameters account for most variance. Configurations achieving low detectability often produce incoherent text, indicating that evading detection and producing natural text are distinct objectives. These findings suggest detectability is enhanced by likelihood-based token selection, not merely a matter of model capability.


FOS: A Large-Scale Temporal Graph Benchmark for Scientific Interdisciplinary Link Prediction

arXiv.org Artificial Intelligence

Interdisciplinary scientific breakthroughs mostly emerge unexpectedly, and forecasting the formation of novel research fields remains a major challenge. We introduce FOS (F uture O f S cience), a comprehensive time-aware graph-based benchmark that reconstructs annual co-occurrence graphs of 65,027 research sub-fields (spanning 19 general domains) over the period 1827-2024. In these graphs, edges denote the co-occurrence of two fields in a single publication and are timestamped with the corresponding publication year. Nodes are enriched with semantic embeddings, and edges are characterized by temporal and topological descriptors. We formulate the prediction of new field-pair linkages as a temporal link-prediction task, emphasizing the "first-time" connections that signify pioneering interdisciplinary directions. Through extensive experiments, we evaluate a suite of state-of-the-art temporal graph architectures under multiple negative-sampling regimes and show that (i) embedding long-form textual descriptions of fields significantly boosts prediction accuracy, and (ii) distinct model classes excel under different evaluation settings. Case analyses show that top-ranked link predictions on FOS align with field pairings that emerge in subsequent years of academic publications. We publicly release FOS, along with its temporal data splits and evaluation code, to establish a reproducible benchmark for advancing research in predicting scientific frontiers.


Segmentation over Complexity: Evaluating Ensemble and Hybrid Approaches for Anomaly Detection in Industrial Time Series

arXiv.org Artificial Intelligence

Abstract--In this study, we investigate the effectiveness of advanced feature engineering and hybrid model architectures for anomaly detection in a multivariate industrial time series, focusing on a steam turbine system. We evaluate the impact of change point-derived statistical features, clustering-based substructure representations, and hybrid learning strategies on detection performance. Despite their theoretical appeal, these complex approaches consistently underperformed compared to a simple Random Forest + XGBoost ensemble trained on segmented data. The ensemble achieved an AUC-ROC of 0.976, F1-score of 0.41, and 100% early detection within the defined time window. Our findings highlight that, in scenarios with highly imbalanced and temporally uncertain data, model simplicity combined with optimized segmentation can outperform more sophisticated architectures, offering greater robustness, interpretability, and operational utility. In recent years, anomaly detection in time series has become a critical challenge in industrial applications [1].


Cross-dataset Multivariate Time-series Model for Parkinson's Diagnosis via Keyboard Dynamics

arXiv.org Artificial Intelligence

Parkinson's disease (PD) presents a growing global challenge, affecting over 10 million individuals, with prevalence expected to double by 2040. Early diagnosis remains difficult due to the late emergence of motor symptoms and limitations of traditional clinical assessments. In this study, we propose a novel pipeline that leverages keystroke dynamics as a non-invasive and scalable biomarker for remote PD screening and telemonitoring. Our methodology involves three main stages: (i) preprocessing of data from four distinct datasets, extracting four temporal signals and addressing class imbalance through the comparison of three methods; (ii) pre-training eight state-of-the-art deep-learning architectures on the two largest datasets, optimizing temporal windowing, stride, and other hyperparameters; (iii) fine-tuning on an intermediate-sized dataset and performing external validation on a fourth, independent cohort. Our results demonstrate that hybrid convolutional-recurrent and transformer-based models achieve strong external validation performance, with AUC-ROC scores exceeding 90% and F1-Score over 70%. Notably, a temporal convolutional model attains an AUC-ROC of 91.14% in external validation, outperforming existing methods that rely solely on internal validation. These findings underscore the potential of keystroke dynamics as a reliable digital biomarker for PD, offering a promising avenue for early detection and continuous monitoring.


Hybrid Autoencoder-Based Framework for Early Fault Detection in Wind Turbines

arXiv.org Artificial Intelligence

Wind turbine reliability is critical to the growing renewable energy sector, where early fault detection significantly reduces downtime and maintenance costs. This paper introduces a novel ensemble-based deep learning framework for unsupervised anomaly detection in wind turbines. The method integrates Variational Autoencoders (VAE), LSTM Autoencoders, and Transformer architectures, each capturing different temporal and contextual patterns from high-dimensional SCADA data. A unique feature engineering pipeline extracts temporal, statistical, and frequency-domain indicators, which are then processed by the deep models. Ensemble scoring combines model predictions, followed by adaptive thresholding to detect operational anomalies without requiring labeled fault data. Evaluated on the CARE dataset containing 89 years of real-world turbine data across three wind farms, the proposed method achieves an AUC-ROC of 0.947 and early fault detection up to 48 hours prior to failure. This approach offers significant societal value by enabling predictive maintenance, reducing turbine failures, and enhancing operational efficiency in large-scale wind energy deployments.


On Uniformly Scaling Flows: A Density-Aligned Approach to Deep One-Class Classification

arXiv.org Artificial Intelligence

Unsupervised anomaly detection is often framed around two widely studied paradigms. Deep one-class classification, exemplified by Deep SVDD, learns compact latent representations of normality, while density estimators realized by normalizing flows directly model the likelihood of nominal data. In this work, we show that uniformly scaling flows (USFs), normalizing flows with a constant Jacobian determinant, precisely connect these approaches. Specifically, we prove how training a USF via maximum-likelihood reduces to a Deep SVDD objective with a unique regularization that inherently prevents representational collapse. This theoretical bridge implies that USFs inherit both the density faithfulness of flows and the distance-based reasoning of one-class methods. We further demonstrate that USFs induce a tighter alignment between negative log-likelihood and latent norm than either Deep SVDD or non-USFs, and how recent hybrid approaches combining one-class objectives with VAEs can be naturally extended to USFs. Consequently, we advocate using USFs as a drop-in replacement for non-USFs in modern anomaly detection architectures. Empirically, this substitution yields consistent performance gains and substantially improved training stability across multiple benchmarks and model backbones for both image-level and pixel-level detection. These results unify two major anomaly detection paradigms, advancing both theoretical understanding and practical performance.


Beyond Rebalancing: Benchmarking Binary Classifiers Under Class Imbalance Without Rebalancing Techniques

arXiv.org Artificial Intelligence

Class imbalance poses a significant challenge to supervised classification, particularly in critical domains like medical diagnostics and anomaly detection where minority class instances are rare. While numerous studies have explored rebalancing techniques to address this issue, less attention has been given to evaluating the performance of binary classifiers under imbalance when no such techniques are applied. Therefore, the goal of this study is to assess the performance of binary classifiers "as-is", without performing any explicit rebalancing. Specifically, we systematically evaluate the robustness of a diverse set of binary classifiers across both real-world and synthetic datasets, under progressively reduced minority class sizes, using one-shot and few-shot scenarios as baselines. Our approach also explores varying data complexities through synthetic decision boundary generation to simulate real-world conditions. In addition to standard classifiers, we include experiments using undersampling, oversampling strategies, and one-class classification (OCC) methods to examine their behavior under severe imbalance. The results confirm that classification becomes more difficult as data complexity increases and the minority class size decreases. While traditional classifiers deteriorate under extreme imbalance, advanced models like TabPFN and boosting-based ensembles retain relatively higher performance and better generalization compared to traditional classifiers. Visual interpretability and evaluation metrics further validate these findings. Our work offers valuable guidance on model selection for imbalanced learning, providing insights into classifier robustness without dependence on explicit rebalancing techniques.