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Monday 16 March

Machine Learning (Statistics)

Estimating Staged Event Tree Models via Hierarchical Clustering on the Simplex

Staged tree models enhance Bayesian networks by incorporating context-specific dependencies through a stage-based structure. In this study, we present a new framework for estimating staged trees using hierarchical clustering on the probability simplex, utilizing simplex basesd divergences. We conduct a thorough evaluation of several distance and divergence metrics including Total Variation, Hellinger, Fisher, and Kaniadakis; alongside various linkage methods such as Ward.D2, average, complete, and McQuitty. We conducted the simulation experiments that reveals Total Variation, especially when combined with Ward.D2 linkage, consistently produces staged trees with better model fit, structure recovery, and computational efficiency. We assess performance by utilizing relative Bayesian Information Criterion (BIC), and Hamming distance. Our findings indicate that although Backward Hill Climbing (BHC) delivers competitive outcomes, it incurs a significantly higher computational cost. On the other, Total Variation divergence with Ward.D2 linkage, achieves similar performance while providing significantly better computational efficiency, making it a more viable option for large-scale or time sensitive tasks.
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All authors Muhammad Shoaib, Eva Riccomagno, Manuele Leonelli, Gherardo Varando

Statistics Applications · Cross-listed from cs.LG

Predictive Uncertainty in Short-Term PV Forecasting under Missing Data: A Multiple Imputation Approach

Missing values are common in photovoltaic (PV) power data, yet the uncertainty they induce is not propagated into predictive distributions. We develop a framework that incorporates missing-data uncertainty into short-term PV forecasting by combining stochastic multiple imputation with Rubin's rule. The approach is model-agnostic and can be integrated with standard machine-learning predictors. Empirical results show that ignoring missing-data uncertainty leads to overly narrow prediction intervals. Accounting for this uncertainty improves interval calibration while maintaining comparable point prediction accuracy. These results demonstrate the importance of propagating imputation uncertainty in data-driven PV forecasting.
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Other Statistics · Cross-listed from cond-mat.stat-mech

Exact and limit results for the CTRW in presence of drift and position dependent noise intensity

Continuous-time random walks (CTRWs) with drift and position-dependent jumps provide a general framework for describing a wide range of natural and engineered systems. We analyze the stochastic differential equation associated with this class of models, in which the driving noise consists of spike (shot) events, and we derive two exact analytical results. First, we obtain a closed-form expression for the $n$-time correlation functions of The noise, expressed as a sum over all $2^{n-1}$ ordered partitions of the observation times (Proposition 2). Second, using the $G$-cumulant formalism, we derive an exact non-local master equation (ME) for the probability density function of the CTRW variable, valid without invoking diffusive limits, fractional scaling assumptions, or closure hypotheses (Proposition 3). In interaction representation, this ME retains the same structural form as that of the standard CTRW without drift or position-dependent jumps. Our main result is the emergence of a universal local master equation: at long times, the exact non-local ME is universally and accurately approximated by a time-local ME whose only coefficient is the instantaneous renewal rate $R(t)$. From this equation, exact in the well known Poissonian case, both local and global properties of the PDF can be readily inferred. For example, the temporal behavior of the PDF is directly controlled by that of the rate function $R(t)$: if the waiting-time distribution decays as a power law with exponent $\mu>2$, then $R(t)\to const$ and the system converges to the Poissonian equilibrium. By contrast, for $\mu<2$, the rate decays in time and the effective diffusion induced by the noise slowly weakens, without leading to a stationary state. Numerical experiments confirm its remarkable accuracy even far beyond regimes where a naive time-scale separation would justify it.
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Machine Learning (Statistics) · Cross-listed from cs.LG

Efficient Morphology-Control Co-Design via Stackelberg Proximal Policy Optimization

Morphology-control co-design concerns the coupled optimization of an agent's body structure and control policy. This problem exhibits a bi-level structure, where the control dynamically adapts to the morphology to maximize performance. Existing methods typically neglect the control's adaptation dynamics by adopting a single-level formulation that treats the control policy as fixed when optimizing morphology. This can lead to inefficient optimization, as morphology updates may be misaligned with control adaptation. In this paper, we revisit the co-design problem from a game-theoretic perspective, modeling the intrinsic coupling between morphology and control as a novel variant of a Stackelberg game. We propose Stackelberg Proximal Policy Optimization (Stackelberg PPO), which explicitly incorporates the control's adaptation dynamics into morphology optimization. By modeling this intrinsic coupling, our method aligns morphology updates with control adaptation, thereby stabilizing training and improving learning efficiency. Experiments across diverse co-design tasks demonstrate that Stackelberg PPO outperforms standard PPO in both stability and final performance, opening the way for dramatically more efficient robotics designs.
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All authors Yanning Dai, Yuhui Wang, Dylan R. Ashley, Jürgen Schmidhuber

2603.15388 · 16 Mar · presented at the Fourteenth International Conference on Learning Representations; 11 pages in main text + 3 pages of references + 23 pages of appendices, 5 figures in main text + 11 figures in appendices, 16 tables in appendices; accompanying website available at https://yanningdai.github.io/stackelberg-ppo-co-design/ ; source code available at https://github.com/YanningDai/StackelbergPPO

Machine Learning (Statistics)

Persistence Spheres: a Bi-continuous Linear Representation of Measures for Partial Optimal Transport

We improve and extend persistence spheres, introduced in~\cite{pegoraro2025persistence}. Persistence spheres map an integrable measure $\mu$ on the upper half-plane, including persistence diagrams (PDs) as counting measures, to a function $S(\mu)\in C(\mathbb{S}^2)$, and the map is stable with respect to 1-Wasserstein partial transport distance $\mathrm{POT}_1$. Moreover, to the best of our knowledge, persistence spheres are the first explicit representation used in topological machine learning for which continuity of the inverse on the image is established at every compactly supported target. Recent bounded-cardinality bi-Lipschitz embedding results in partial transport spaces, despite being powerful, are not given by the kind of explicit summary map considered here. Our construction is rooted in convex geometry: for positive measures, the defining ReLU integral is the support function of the lift zonoid. Building on~\cite{pegoraro2025persistence}, we refine the definition to better match the $\mathrm{POT}_1$ deletion mechanism, encoding partial transport via a signed diagonal augmentation. In particular, for integrable $\mu$, the uniform norm between $S(0)$ and $S(\mu)$ depends only on the persistence of $\mu$, without any need of ad-hoc re-weightings, reflecting optimal transport to the diagonal at persistence cost. This yields a parameter-free representation at the level of measures (up to numerical discretization), while accommodating future extensions where $\mu$ is a smoothed measure derived from PDs (e.g., persistence intensity functions~\citep{wu2024estimation}). Across clustering, regression, and classification tasks involving functional data, time series, graphs, meshes, and point clouds, the updated persistence spheres are competitive and often improve upon persistence images, persistence landscapes, persistence splines, and sliced Wasserstein kernel baselines.
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Machine Learning (Statistics) · Cross-listed from cs.CL

DOS: Dependency-Oriented Sampler for Masked Diffusion Language Models

Masked diffusion language models (MDLMs) have recently emerged as a new paradigm in language modeling, offering flexible generation dynamics and enabling efficient parallel decoding. However, existing decoding strategies for pre-trained MDLMs predominantly rely on token-level uncertainty criteria, while largely overlooking sequence-level information and inter-token dependencies. To address this limitation, we propose Dependency-Oriented Sampler (DOS), a training-free decoding strategy that leverages inter-token dependencies to inform token updates during generation. Specifically, DOS exploits attention matrices from transformer blocks to approximate inter-token dependencies, emphasizing information from unmasked tokens when updating masked positions. Empirical results demonstrate that DOS consistently achieves superior performance on both code generation and mathematical reasoning tasks. Moreover, DOS can be seamlessly integrated with existing parallel sampling methods, leading to improved generation efficiency without sacrificing generation quality.
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Machine Learning (Statistics)

Active Seriation: Efficient Ordering Recovery with Statistical Guarantees

Active seriation aims at recovering an unknown ordering of $n$ items by adaptively querying pairwise similarities. The observations are noisy measurements of entries of an underlying $n$ x $n$ permuted Robinson matrix, whose permutation encodes the latent ordering. The framework allows the algorithm to start with partial information on the latent ordering, including seriation from scratch as a special case. We propose an active seriation algorithm that provably recovers the latent ordering with high probability. Under a uniform separation condition on the similarity matrix, optimal performance guarantees are established, both in terms of the probability of error and the number of observations required for successful recovery.
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Machine Learning (Statistics)

Scalable Simulation-Based Model Inference with Test-Time Complexity Control

Simulation plays a central role in scientific discovery. In many applications, the bottleneck is no longer running a simulator; it is choosing among large families of plausible simulators, each corresponding to different forward models/hypotheses consistent with observations. Over large model families, classical Bayesian workflows for model selection are impractical. Furthermore, amortized model selection methods typically hard-code a fixed model prior or complexity penalty at training time, requiring users to commit to a particular parsimony assumption before seeing the data. We introduce PRISM, a simulation-based encoder-decoder that infers a joint posterior over both discrete model structures and associated continuous parameters, while enabling test-time control of model complexity via a tunable model prior that the network is conditioned on. We show that PRISM scales to families with combinatorially many (up to billions) of model instantiations on a synthetic symbolic regression task. As a scientific application, we evaluate PRISM on biophysical modeling for diffusion MRI data, showing the ability to perform model selection across several multi-compartment models, on both synthetic and in vivo neuroimaging data.
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All authors Manuel Gloeckler, J. P. Manzano-Patrón, Stamatios N. Sotiropoulos, Cornelius Schröder, Jakob H. Macke

Statistics Theory · Cross-listed from cs.LG

Decomposing Probabilistic Scores: Reliability, Information Loss and Uncertainty

Calibration is a conditional property that depends on the information retained by a predictor. We develop decomposition identities for arbitrary proper losses that make this dependence explicit. At any information level $\mathcal A$, the expected loss of an $\mathcal A$-measurable predictor splits into a proper-regret (reliability) term and a conditional entropy (residual uncertainty) term. For nested levels $\mathcal A\subseteq\mathcal B$, a chain decomposition quantifies the information gain from $\mathcal A$ to $\mathcal B$. Applied to classification with features $\boldsymbol{X}$ and score $S=s(\boldsymbol{X})$, this yields a three-term identity: miscalibration, a grouping term measuring information loss from $\boldsymbol{X}$ to $S$, and irreducible uncertainty at the feature level. We leverage the framework to analyze post-hoc recalibration, aggregation of calibrated models, and stagewise/boosting constructions, with explicit forms for Brier and log-loss.
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Other Statistics

Deepest voting on rankings

This article aims to present a unified framework for ranking-based voting rules based on the use of depth functions on permutations, as a counterpart of deepest voting rules on evaluation introduced in Aubin et al. [2022]. It introduces the notion of depth functions, in continuous sets and in permutation sets, the later using the notion of Fréchet means. Deepest voting procedures are then formally defined, and some classical voting rules are expressed as deepest voting procedures, using a large variety of distances on the set of permutations. Links are done between the depth functions mathematical properties and some behaviours of the voting rule, such as Neutrality, Anonymity, Universality, Condorcet winner/loser property and so on.
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All authors Jean-Baptiste Aubin, Antoine Rolland, Ioana Gavra, Irène Gannaz, Jacques Anderson Kouassi

Statistics Applications

Benchmarking Formula 1 results using a normal model

There is enduring interest in disentangling the effects of skill and luck in sport. A key issue in Formula 1 is distinguishing between car-level and driver-level effects. Four elite teams currently dominate Formula 1 and have won every major race for the last four years. In this paper we use univariate and bivariate normal models to quantify reasonable performance expectations at both driver and team levels, distinguishing between elite and non-elite teams. We illustrate our approach with an application to the last fully completed 2025 season.
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All authors John Fry, Silvio Fanzon, Mark Austin, Tom Brighton

Machine Learning (Statistics)

The Sampling Complexity of Condorcet Winner Identification in Dueling Bandits

We study best-arm identification in stochastic dueling bandits under the sole assumption that a Condorcet winner exists, i.e., an arm that wins each noisy pairwise comparison with probability at least $1/2$. We introduce a new identification procedure that exploits the full gap matrix $\Delta_{i,j}=q_{i,j}-\tfrac12$ (where $q_{i,j}$ is the probability that arm $i$ beats arm $j$), rather than only the gaps between the Condorcet winner and the other arms. We derive high-probability, instance-dependent sample-complexity guarantees that (up to logarithmic factors) improve the best known ones by leveraging informative comparisons beyond those involving the winner. We complement these results with new lower bounds which, to our knowledge, are the first for Condorcet-winner identification in stochastic dueling bandits. Our lower-bound analysis isolates the intrinsic cost of locating informative entries in the gap matrix and estimating them to the required confidence, establishing the optimality of our non-asymptotic bounds. Overall, our results reveal new regimes and trade-offs in the sample complexity that are not captured by asymptotic analyses based only on the expected budget.
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Statistical Methodology

Sequential Transport for Causal Mediation Analysis

We propose sequential transport (ST), a distributional framework for mediation analysis that combines optimal transport (OT) with a mediator directed acyclic graph (DAG). Instead of relying on cross-world counterfactual assumptions, ST constructs unit-level mediator counterfactuals by minimally transporting each mediator, either marginally or conditionally, toward its distribution under an alternative treatment while preserving the causal dependencies encoded by the DAG. For numerical mediators, ST uses monotone (conditional) OT maps based on conditional CDF/quantile estimators; for categorical mediators, it extends naturally via simplex-based transport. We establish consistency of the estimated transport maps and of the induced unit-level decompositions into mutatis mutandis direct and indirect effects under standard regularity and support conditions. When the treatment is randomized or ignorable (possibly conditional on covariates), these decompositions admit a causal interpretation; otherwise, they provide a principled distributional attribution of differences between groups aligned with the mediator structure. Gaussian examples show that ST recovers classical mediation formulas, while additional simulations confirm good performance in nonlinear and mixed-type settings. An application to the COMPAS dataset illustrates how ST yields deterministic, DAG-consistent counterfactual mediators and a fine-grained mediator-level attribution of disparities.
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All authors Agathe Fernandes Machado, Iryna Voitsitska, Arthur Charpentier, Ewen Gallic

Statistical Methodology

Bayesian Inference in Epidemic Modelling: A Beginner's Guide

This lecture note provides a self-contained introduction to Bayesian inference and Markov Chain Monte Carlo (MCMC) methods for parameter estimation in epidemic models. Using the classical Susceptible-Infectious-Recovered (SIR) compartmental model as a running example, we derive the likelihood function from first principles, specify priors on the transmission and recovery parameters, and implement the Metropolis-Hastings algorithm to sample from the posterior distribution. The note is aimed at graduate students and researchers in mathematical epidemiology with limited prior exposure to Bayesian statistics.
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Statistical Methodology

Measuring the depth of multidimensional poverty with ordinal data

Standard multidimensional poverty gap measures are seldom applied because they require cardinal indicators. This paper proposes a positional poverty gap index that captures the depth of deprivations even when indicators are ordinal. Drawing on the fuzzy set literature, the method scores each deprived individual by their positional distance from the top of the empirical distribution of each indicator, normalized by the same distance for the most deprived individual. An axiomatic characterization shows that, once deprivation is built up additively from pairwise comparisons of achievements, this positional depth score is the only one consistent with ordinal data. Within the Alkire-Foster counting framework, the measure preserves the identification and aggregation structure and, under a fixed reference distribution, satisfies the main axiomatic properties. The result is a meaningful and policy-relevant depth index for multidimensional poverty.
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Machine Learning (Statistics) · Cross-listed from cs.LG

Establishing Construct Validity in LLM Capability Benchmarks Requires Nomological Networks

Recent work in machine learning increasingly attributes human-like capabilities such as reasoning or theory of mind to large language models (LLMs) on the basis of benchmark performance. This paper examines this practice through the lens of construct validity, understood as the problem of linking theoretical capabilities to their empirical measurements. It contrasts three influential frameworks: the nomological account developed by Cronbach and Meehl, the inferential account proposed by Messick and refined by Kane, and Borsboom's causal account. I argue that the nomological account provides the most suitable foundation for current LLM capability research. It avoids the strong ontological commitments of the causal account while offering a more substantive framework for articulating construct meaning than the inferential account. I explore the conceptual implications of adopting the nomological account for LLM research through a concrete case: the assessment of reasoning capabilities in LLMs.
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Statistical Methodology

Identifying Topological Differences in Two Populations of Random Geometric Objects

We propose a statistical framework to identify topological differences in two populations of random geometric objects. The proposed framework involves first associating a topological signature with random geometric objects and then performing a two-sample test using the observed topological signatures. We associate persistence barcodes, a topological signature from topological data analysis, with each observed random geometric object. This, in turn, yields a two-sample problem on the space of persistence barcodes. As the space of persistence barcodes is not suitable for standard statistical analysis, we translate the two-sample problem on a suitable subset of a Euclidean space. In the course of this study, we embed the topological signatures in an ordered convex cone in a Euclidean space using functions from tropical geometry. We show that the embedding is a sufficient statistic for the persistence barcodes. This fact leads to the proposal of a two-sample test based on this sufficient statistic, and its equivalence to the two-sample problem on the barcode space is established. Finally, the consistency of the proposed test is studied.
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Machine Learning (Statistics)

Analyzing Error Sources in Global Feature Effect Estimation

Global feature effects such as partial dependence (PD) and accumulated local effects (ALE) plots are widely used to interpret black-box models. However, they are only estimates of true underlying effects, and their reliability depends on multiple sources of error. Despite the popularity of global feature effects, these error sources are largely unexplored. In particular, the practically relevant question of whether to use training or holdout data to estimate feature effects remains unanswered. We address this gap by providing a systematic, estimator-level analysis that disentangles sources of bias and variance for PD and ALE. To this end, we derive a mean-squared-error decomposition that separates model bias, estimation bias, model variance, and estimation variance, and analyze their dependence on model characteristics, data selection, and sample size. We validate our theoretical findings through an extensive simulation study across multiple data-generating processes, learners, estimation strategies (training data, validation data, and cross-validation), and sample sizes. Our results reveal that, while using holdout data is theoretically the cleanest, potential biases arising from the training data are empirically negligible and dominated by the impact of the usually higher sample size. The estimation variance depends on both the presence of interactions and the sample size, with ALE being particularly sensitive to the latter. Cross-validation-based estimation is a promising approach that reduces the model variance component, particularly for overfitting models. Our analysis provides a principled explanation of the sources of error in feature effect estimates and offers concrete guidance on choosing estimation strategies when interpreting machine learning models.
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All authors Timo Heiß, Coco Bögel, Bernd Bischl, Giuseppe Casalicchio

Machine Learning (Statistics)

Spatio-temporal probabilistic forecast using MMAF-guided learning

We present a theory-guided generalized Bayesian methodology for spatio-temporal raster data, which we use to train an ensemble of stochastic feed-forward neural networks with Gaussian-distributed weights. The methodology incorporates the dependence and causal structure of a spatio-temporal Ornstein-Uhlenbeck process into training and inference by enforcing constraints on the design of the data embedding and the related optimization routine. In inference mode, the networks are employed to generate causal ensemble forecasts by applying different initial conditions at different horizons. We call this workflow MMAF-guided learning. Experiments conducted on both synthetic and real data demonstrate that our forecasts remain calibrated across multiple time horizons. Moreover, we show that on such data, shallow feed-forward architectures can achieve performance comparable to, and in some cases better than, convolutional or diffusion deep learning architectures used in probabilistic forecasting tasks.
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Machine Learning (Statistics) · Cross-listed from cs.CV

Riemannian Motion Generation: A Unified Framework for Human Motion Representation and Generation via Riemannian Flow Matching

Human motion generation is often learned in Euclidean spaces, although valid motions follow structured non-Euclidean geometry. We present Riemannian Motion Generation (RMG), a unified framework that represents motion on a product manifold and learns dynamics via Riemannian flow matching. RMG factorizes motion into several manifold factors, yielding a scale-free representation with intrinsic normalization, and uses geodesic interpolation, tangent-space supervision, and manifold-preserving ODE integration for training and sampling. On HumanML3D, RMG achieves state-of-the-art FID in the HumanML3D format (0.043) and ranks first on all reported metrics under the MotionStreamer format. On MotionMillion, it also surpasses strong baselines (FID 5.6, R@1 0.86). Ablations show that the compact $\mathscr{T}+\mathscr{R}$ (translation + rotations) representation is the most stable and effective, highlighting geometry-aware modeling as a practical and scalable route to high-fidelity motion generation.
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Statistics Theory

Wasserstein Distributionally Robust Quantile Regression

We study distributionally robust quantile regression using type-$p$ Wasserstein ambiguity sets. We derive a closed-form expression for the worst-case quantile regression loss under general $p$-Wasserstein uncertainty. We further give a uniqueness result showing that for $p>1$, the check loss yields the only class of convex loss functions for which such an additive Wasserstein regularization holds. Our analysis also uncovers qualitative differences between the regimes $p=1$ and $p>1$. When $p>1$, the slope coefficients coincide with those of the regularized formulation, while the intercept undergoes a radius-dependent adjustment; the value $p$ affects only this intercept correction, whereas the choice of transport norm influences both. Finally, we establish finite-sample out-of-sample risk guarantees of order $O(N^{-1/2})$ under mild moment conditions. Numerical experiments illustrate the theoretical findings and the practical implications of the proposed formulation.
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Statistical Methodology

Spatiotemporally Consistent Multivariate Bias Correction for Climate Projections via Nested Vine Copulas

Climate models are essential for understanding large-scale climate dynamics and long-term climate change, yet they exhibit systematic biases when compared with historical observations. Existing multivariate bias correction (MBC) approaches do not explicitly handle spatiotemporal dependence. However, preserving both spatiotemporal and inter-variable consistency is essential for realistic climate dynamics and reliable regional impact assessments. To address this gap, we propose a novel MBC method called GN-VBC that uses generalized additive models (GAMs) to disentangle spatiotemporal deterministic effects from stochastic residuals. To model joint distributions and dependencies across variables and locations, we introduce nested vine copulas (NVCs), a hierarchical vine merging strategy. NVC in the context of MBC combines two dependence levels: (i) spatial dependence across locations, modeled separately for each variable, and (ii) inter-variable dependence modeled at a selected reference location, which links the spatial models into a coherent multivariate and spatial structure. An application to Switzerland shows improvements in preserving inter-variable, spatial and temporal dependence across a wide range of evaluation metrics.
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All authors Theresa Meier, Erwan Koch, Valérie Chavez-Demoulin, Thibault Vatter

Statistics Theory

Performance of Efron and Tibshirani's semiparametric density estimator

Recently, Efron and Tibshirani (Annals of Statistics, 1996) proposed a semiparametric density estimator, which works by multiplying an initial kernel type estimate with a parametric exponential type correction factor, chosen so as to match certain empirical moments. While Efron and Tibshirani investigate and illustrate many aspects of their method, the basic questions of performance, and comparison with other density estimators, were not directly addressed in their article. The purpose of the present paper is to provide formulae for bias and variance and hence mean squared error for the estimator. This additional insight into the method makes it easy to compare its performance with that of other recently proposed semiparametric constructions. A brief comparison study is carried out here. It indicates that the new method, used with lower order polynomials in the exponential correction term, is often better than the kernel estimator, in a reasonable neighbourhood around the normal distribution, but that its performance as a density estimator is more than equalled by other methods. In particular, the recently developed Hjort and Glad estimator (Annals of Statistics, 1995), using a parametric start times a nonparametric correction, wins in eight out of nine test cases, from the list of such suggested by Wand and Jones (Annals of Statistics, 1992).
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Statistical Methodology · Cross-listed from eess.SY

A System-Theoretic Approach to Hawkes Process Identification with Guaranteed Positivity and Stability

The Hawkes process models self-exciting event streams, requiring a strictly non-negative and stable stochastic intensity. Standard identification methods enforce these properties using non-negative causal bases, yielding conservative parameter constraints and severely ill-conditioned least-squares Gram matrices at higher model orders. To overcome this, we introduce a system-theoretic identification framework utilizing the sign-indefinite orthonormal Laguerre basis, which guarantees a well-conditioned asymptotic Gram matrix independent of model order. We formulate a constrained least-squares problem enforcing the necessary and sufficient conditions for positivity and stability. By constructing the empirical Gram matrix via a Lyapunov equation and representing the constraints through a sum-of-squares trace equivalence, the proposed estimator is efficiently computed via semidefinite programming.
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Machine Learning (Statistics)

Bayesian Symbolic Regression for Missing Physics

Model-based approaches for (bio)process systems often suffer from incomplete knowledge of the underlying physical, chemical, or biological laws. Universal differential equations, which embed neural networks within differential equations, have emerged as powerful tools to learn this missing physics from experimental data. However, neural networks are inherently opaque, motivating their post-processing via symbolic regression to obtain interpretable mathematical expressions. Genetic algorithm-based symbolic regression is a popular approach for this post-processing step, but provides only point estimates and cannot quantify the confidence we should place in a discovered equation. We address this limitation by applying Bayesian symbolic regression, which uses Reversible Jump Markov Chain Monte Carlo to sample from the posterior distribution over symbolic expression trees. This approach naturally quantifies uncertainty in the recovered model structure. We demonstrate the methodology on a Lotka-Volterra predator-prey system and then show how a well-designed experiment leads to lower uncertainty in a fed-batch bioreactor case study.
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Machine Learning (Statistics) · Cross-listed from cs.LG

Informative Perturbation Selection for Uncertainty-Aware Post-hoc Explanations

Trust and ethical concerns due to the widespread deployment of opaque machine learning (ML) models motivating the need for reliable model explanations. Post-hoc model-agnostic explanation methods addresses this challenge by learning a surrogate model that approximates the behavior of the deployed black-box ML model in the locality of a sample of interest. In post-hoc scenarios, neither the underlying model parameters nor the training are available, and hence, this local neighborhood must be constructed by generating perturbed inputs in the neighborhood of the sample of interest, and its corresponding model predictions. We propose Expected Active Gain for Local Explanations (EAGLE), a post-hoc model-agnostic explanation framework that formulates perturbation selection as an information-theoretic active learning problem. By adaptively sampling perturbations that maximize the expected information gain, EAGLE efficiently learns a linear surrogate explainable model while producing feature importance scores along with the uncertainty/confidence estimates. Theoretically, we establish that cumulative information gain scales as $\mathcal{O}(d \log t)$, where $d$ is the feature dimension and $t$ represents the number of samples, and that the sample complexity grows linearly with $d$ and logarithmically with the confidence parameter $1/\delta$. Empirical results on tabular and image datasets corroborate our theoretical findings and demonstrate that EAGLE improves explanation reproducibility across runs, achieves higher neighborhood stability, and improves perturbation sample quality as compared to state-of-the-art baselines such as Tilia, US-LIME, GLIME and BayesLIME.
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Statistics Applications

vPET-ABC: Fast Voxelwise Approximate Bayesian Inference for Kinetic Modeling in PET

Dynamic PET kinetic modeling increasingly demands voxelwise uncertainty quantification and robust model selection. Yet total-body PET (TB-PET) data volumes make conventional Bayesian approaches, such as per-voxel MCMC, computationally impractical, while deep models typically require retraining and careful revalidation when tracers, protocols, or kinetic models change, without necessarily improving inference speed. Vectorized voxelwise approximate Bayesian computation (vPET-ABC) is introduced as a likelihood-free, model-agnostic posterior inference framework for dynamic PET kinetic modeling at total-body scale. The method replaces explicit likelihood evaluation with forward simulations and a discrepancy test, then exploits full vectorization to transform voxelwise inference into an embarrassingly parallel workload suited to modern GPUs. In simulation, vPET-ABC produced posterior summaries with small divergence from sequential Monte Carlo baselines, and posterior mean estimates significantly more accurate than non-negative least squares (NNLS). For model selection between the linear parametric neurotransmitter model (lp-ntPET) and the multilinear reference tissue model, vPET-ABC maintained high sensitivity under high noise with moderate loss of specificity, whereas NNLS+Bayesian information criteria exhibited the opposite trade-off with near-zero sensitivity. In a human cigarette smoking dataset, vPET-ABC yielded denser probabilistic activation maps than lp-ntPET with effective number of parameters. On a 50 min total-body [18F]FDG study, vPET-ABC generated high quality whole volume K_i parametric images within practical runtimes on a single GPU, while also preserved local spatial correlation better than NNLS. Overall, vPET-ABC delivers fast, training-free, uncertainty-aware inference that scales to TB-PET and remains portable across tracers and kinetic models.
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All authors Qinlin Gu, Gaelle M. Emvalomenos, Evan D. Morris, Clara Grazian, Steven R. Meikle

Statistics Theory

Evaluating time-to-event forecasts under fixed-horizon right-censoring

Time-to-event forecasts frequently arise in applications with finite prediction or decision horizons, including in operational meteorology, hydrology, warranty analysis and insurance. In such settings, forecasts, observations, or both may only be available through their right-censored values relative to a common fixed censoring time. This article develops a framework for evaluating such forecasts. For probabilistic forecasts, recent localization results for proper scoring rules imply coherent evaluation methods based on threshold-weighted versions of familiar scores, including the continuous ranked probability score (CRPS) and logarithmic score. These methods remain valid when forecasts themselves are right-censored to the prediction horizon. For single-valued and interval-valued forecasts, we develop corresponding notions of local consistency and local elicitability under fixed-horizon right-censoring. We show that quantiles and prediction intervals whose endpoints are quantiles remain locally elicitable through threshold-weighted variants of quantile and interval scores. In contrast, the expectation functional is not locally elicitable, implying that mean-valued time-to-event forecasts do not admit analogous theoretically justified evaluation methods. Several familiar diagnostic tools extend naturally to this setting. Threshold-weighted CRPS and quantile scores retain useful diagnostic representations through Brier-score decompositions and Murphy diagrams, while reliability diagrams based on quantile isotonic regression support diagnosis of conditional biases and forecast recalibration. A synthetic forecasting experiment together with operational flood and wind forecasting applications illustrates the methodology.
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2603.14835 · 16 Mar · 25 pages, 5 figures. Major revision. Reframed the probabilistic forecast evaluation results as an application of the localization framework of de Punder et al. (2025). Clarified the focus on fixed-horizon right-censoring, with reduced discussion of biomedical survival-analysis methods. Removed the appendix on threshold-weighted CRPS for the gamma distribution in light of Scheuerer (2015)

Machine Learning (Statistics) · Cross-listed from cs.LG

Dataset Distillation Efficiently Encodes Low-Dimensional Representations from Gradient-Based Learning of Non-Linear Tasks

Dataset distillation, a training-aware data compression technique, has recently attracted increasing attention as an effective tool for mitigating costs of optimization and data storage. However, progress remains largely empirical. Mechanisms underlying the extraction of task-relevant information from the training process and the efficient encoding of such information into synthetic data points remain elusive. In this paper, we theoretically analyze practical algorithms of dataset distillation applied to the gradient-based training of two-layer neural networks with width $L$. By focusing on a non-linear task structure called multi-index model, we prove that the low-dimensional structure of the problem is efficiently encoded into the resulting distilled data. This dataset reproduces a model with high generalization ability for a required memory complexity of $\tilde{\Theta}$$(r^2d+L)$, where $d$ and $r$ are the input and intrinsic dimensions of the task. To the best of our knowledge, this is one of the first theoretical works that include a specific task structure, leverage its intrinsic dimensionality to quantify the compression rate and study dataset distillation implemented solely via gradient-based algorithms.
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Statistical Methodology

On Heterogeneity in Wasserstein Space

Data represented by probability measures arise as empirical distributions, posterior distributions, and feature-based representations of complex objects. We study heterogeneity in a population of probability measures through the expected value of a chosen transform of the pairwise Wasserstein distance. The resulting estimator is unbiased and, under simple moment conditions on the population law, is strongly consistent, asymptotically normal, and equipped with a consistent standard error. This also yields a simple comparison of two populations and remains stable under plug-in approximation when the measures are estimated. The associated empirical eccentricities identify the observations that contribute most strongly to heterogeneity within a sample.
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