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 Statistical Learning


Task Vector Geometry Underlies Dual Modes of Task Inference in Transformers

arXiv.org Machine Learning

Transformers are effective at inferring the latent task from context via two inference modes: recognizing a task seen during training, and adapting to a novel one. Recent interpretability studies have identified from middle-layer representations task-specific directions, or task vectors, that steer model behavior. However, a lack of rigorous foundations hinders connecting internal representations to external model behavior: existing work fails to explain how task-vector geometry is shaped by the training distribution, and what geometry enables out-of-distribution (OOD) generalization. In this paper, we study these questions in a controlled synthetic setting by training small transformers from scratch on latent-task sequence distributions, which allows a principled mathematical characterization. We show that two inference modes can coexist within a single model. In-distribution behavior is governed by Bayesian task retrieval, implemented internally through convex combinations of learned task vectors. OOD behavior, by contrast, arises through extrapolative task learning, whose representations occupy a subspace nearly orthogonal to the task-vector subspace. Taken together, our results suggest that task-vector geometry, training distributions, and generalization behaviors are closely related.


Training-Free Probabilistic Time-Series Forecasting with Conformal Seasonal Pools

arXiv.org Machine Learning

We propose Conformal Seasonal Pools (CSP), a training-free probabilistic time-series forecaster that mixes same-season empirical draws with signed residual draws around a seasonal naive forecast. In an audited rolling-origin benchmark on the six time-series datasets where DeepNPTS was originally evaluated (electricity, exchange_rate, solar_energy, taxi, traffic, wikipedia), CSP-Adaptive significantly outperforms DeepNPTS on every metric we report -- CRPS (per-window paired Wilcoxon $p \approx 4 \times 10^{-10}$), normalized mean quantile loss ($p \approx 7 \times 10^{-10}$), and empirical 95% coverage ($p \approx 8 \times 10^{-45}$, mean 0.89 vs 0.66) -- while running over 500x faster on CPU. Coverage is the most decision-critical of these: a 0.95 nominal interval that contains the truth in only ~66% of cases fails the basic calibration desideratum and would not survive deployment in safety- or decision-critical settings. The failure mode is also more severe than aggregate coverage suggests: in the worst 10% of windows, DeepNPTS's prediction interval covers none of the H forecast horizons -- the entire multi-step trajectory misses the truth at every step simultaneously. This poses serious risk in safety- and decision-critical applications such as healthcare, finance, energy operations, and autonomous systems, where prediction intervals that systematically miss the truth across the entire planning horizon translate directly into misclassified patients, regulatory capital failures, grid imbalances, and safety-case violations. CSP achieves all of this with no learned parameters and no training. We argue training-free conformal samplers should be mandatory baselines when evaluating learned non-parametric forecasters.


Graph Convolutional Support Vector Regression for Robust Spatiotemporal Forecasting of Urban Air Pollution

arXiv.org Machine Learning

Urban air quality forecasting is challenging because pollutant concentrations are nonlinear, nonstationary, spatiotemporally dependent, and often affected by anomalous observations caused by traffic congestion, industrial emissions, and seasonal meteorological variability. This study proposes a Graph Convolutional Support Vector Regression (GCSVR) framework for robust spatiotemporal forecasting of urban air pollution. The model combines graph convolutional learning to capture inter-station spatial dependence with support vector regression to model nonlinear temporal dynamics while reducing sensitivity to outlier observations. The proposed framework is evaluated using air quality records from 37 monitoring stations in Delhi and 18 stations in Mumbai, representing inland and coastal metropolitan environments in India. Forecasting performance is assessed across multiple horizons and compared with established temporal and spatiotemporal benchmarks. The results show that GCSVR consistently improves predictive accuracy and maintains stable performance across seasons and outlier-prone pollution episodes. Statistical test further confirms the reliability of the proposed approach across the two cities. Finally, conformal prediction is integrated with GCSVR to generate calibrated prediction intervals, enhancing its practical value for uncertainty-aware air quality monitoring and public health decision-making.


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.


TabSurv: Adapting Modern Tabular Neural Networks to Survival Analysis

arXiv.org Machine Learning

Survival analysis on tabular data is a well-studied problem. However, existing deep learning methods are often highly task-specific, which can limit the transfer of new approaches from other domains and introduce constraints that may affect performance. We propose TabSurv, an approach that adapts modern tabular architectures to survival analysis using either the Weibull distribution or non-parametric survival prediction. TabSurv optimizes SurvHL, a novel histogram loss function supporting censored data. In addition to a baseline feed-forward network, we implement deep ensembles of MLPs for survival analysis within TabSurv. In contrast to prior work, the ensemble components are trained in parallel, optimizing survival distribution parameters before averaging, which promotes diversity across ensemble component predictions. We perform a comprehensive empirical evaluation of different proposed architectures on 10 diverse real-world survival datasets. Our results show that TabSurv consistently outperforms on average established classical and deep learning baselines, such as RSF, DeepSurv, DeepHit, SurvTRACE. Notably, deep ensembles with Weibull parametrization instead of non-parametric models achieve the highest average rank by C-index. Overall, our study clarifies how modern tabular neural networks can be adapted and trained to tackle survival analysis problems, offering a strong and reliable approach. The TabSurv implementation is publicly available.


Integrating Feature Correlation in Differential Privacy with Applications in DP-ERM

arXiv.org Machine Learning

Standard differential privacy imposes uniform privacy constraints across all features, overlooking the inherent distinction between sensitive and insensitive features in practice. In this paper, we introduce a relaxed definition of differential privacy that accounts for such heterogeneity, allowing certain features to be treated as insensitive even when correlated with sensitive ones. We propose a correlation-aware framework, $\textsf{CorrDP}$, which relaxes privacy for insensitive features while accounting for their correlations with sensitive features, with the correlations quantified using total variation distance. We design algorithms for differentially private empirical risk minimization (DP-ERM) under the $\textsf{CorrDP}$ framework, incorporating distance-dependent noise into gradients for improved theoretical utility guarantees. When the correlation distance is unknown, we estimate it from the dataset and show that it achieves a comparable privacy-utility guarantee. We perform experiments on synthetic and real-world datasets and show that $\textsf{CorrDP}$-based DP-ERM algorithms consistently outperform the standard DP framework in the presence of insensitive features.


Conditional Diffusion Sampling

arXiv.org Machine Learning

Sampling from unnormalized multimodal distributions with limited density evaluations remains a fundamental challenge in machine learning and natural sciences. Successful approaches construct a bridge between a tractable reference and the target distribution. Parallel Tempering (PT) serves as the gold standard, while recent diffusion-based approaches offer a continuous alternative at the cost of neural training. In this work, we introduce Conditional Diffusion Sampling (CDS), a framework that combines these two paradigms. To this end, we derive Conditional Interpolants, a class of stochastic processes whose transport dynamics are governed by an exact, closed-form stochastic differential equation (SDE), requiring no neural approximation. Although these dynamics require sampling from a non-trivial initialization distribution, we show both theoretically and empirically that the cost of this initialization diminishes for sufficiently short diffusion times. CDS leverages this by a two-stage procedure: (1) PT is used to efficiently sample the initial distribution, and then (2) samples are transported via the transport SDE. This combination couples the robust global exploration of PT with efficient local transport. Experiments suggest that CDS has the potential to achieve a superior trade-off between sample quality and density evaluation cost compared to state-of-the-art samplers.


Design, Cups, and Blankets. A Free-Energy-Principle-Based Approach to Product Design

arXiv.org Machine Learning

Classical design theory treats the type of an object as a given: the designer decides in advance that this will be a cup, then optimizes its parameters. This paper argues that object type is not a presupposition but an inference, something that can be determined from physical data and functional requirements jointly. We call this problem requirement-steered interface type inference and show that it is inexpressible within existing design frameworks. This paper makes two contributions that are jointly necessary and individually incomplete. The first is the problem itself, which classical design cannot pose because it presupposes the very thing our problem seeks to determine. The second is C-DMBD, a constrained extension of the Dynamic Markov Blanket Detection algorithm, which makes requirement-steered inference computationally tractable. Drawing on the free-energy principle and active inference, established frameworks in theoretical neuroscience and Bayesian mechanics, we model a product's surface as a Markov blanket: the minimal boundary through which all causal exchange between object and environment must pass. Different blanket structures correspond to different object types; different parameterizations of the same structure correspond to different functional modes of the same type. This paper is a proof of concept and a theoretical proposal. It reframes design as inference rather than optimization, and as a relation between generative models rather than a specification of parameters.


A Continuous-Time Ensemble Kalman-Bucy Smoother for Causal Inference and Model Discovery

arXiv.org Machine Learning

Data assimilation (DA) integrates observational information with model predictions to improve state estimation in complex systems. While filtering provides the basis for online forecasts by using only past and present observations, it can exhibit delays and biases when the underlying dynamics evolve rapidly or undergo regime transitions. Smoothing, which additionally incorporates future observations, provides a natural pipeline for hindcasting and reanalysis that yields an uncertainty reduction beyond the filter. This paper introduces an ensemble Kalman-Bucy smoother (EnKBS) for continuous-time DA of nonlinear dynamical systems, where the smoother's conditional distributions are reconstructed using ensemble moments. The result is a derivative-free framework that does not require explicit computation of tangent-linear or adjoint models, which converges to the exact smoother solution at the infinite-ensemble limit for a wide class of complex systems. Incorporating standard regularization techniques for high-dimensional systems, such as covariance localization and inflation, the skill of the EnKBS is demonstrated in various important scientific problems. By integrating future observations, which reveal the underlying causal mechanisms for retrospective state updates, the EnKBS is used for Bayesian-based inference of causal relationships and their temporal influence range in a dyadic trigger-feedback model and the development of a causality-driven iterative learning algorithm that identifies the structure and recovers the hidden parameters of a nonlinear reduced-order model mimicking midlatitude atmospheric circulation. Notably, both tasks remain effective with an ensemble size of $O(10)$ under partial observations, suggesting that EnKBS can support the instantaneous discovery of high-dimensional complex systems over time.


Spectral Graph Sparsification Preserves Representation Geometry in Graph Neural Networks

arXiv.org Machine Learning

Spectral graph sparsification is a classical tool for reducing graph complexity while preserving Laplacian quadratic forms. In graph neural networks (GNNs), sparsification is often used to accelerate computation while maintaining predictive performance. In this work, we study a complementary representation-level question: does sparsification preserve the geometry of learned embeddings? For polynomial-filter GNNs, we prove that any $ε$-spectral sparsifier induces $O(ε)$ perturbations in polynomial graph filters, multilayer hidden representations, and their Gram matrices. These guarantees imply stability of squared pairwise distances, class means, and covariance structure in embedding space. We further establish finite-time training stability: under smoothness and boundedness assumptions, gradient descent on dense and sparsified graphs produces weight trajectories whose separation grows at most proportionally to the sparsification distortion. Empirically, effective-resistance sparsification validates the predicted perturbation chain on synthetic graphs and preserves hidden representation geometry on real datasets. In our experiments, the gram matrix and training dynamics show low divergence even under substantial sparsification, consistent with the predicted stability under spectral sparsification. Hidden Gram preservation strongly predicts neighborhood preservation and class-centroid stability across FashionMNIST, Cora, and Paul15. Together, these results show that spectral sparsification preserves not only graph operators, but also the representation geometry that supports downstream use of GNN embeddings for interpretability.