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Friday 22 May

Machine Learning (Statistics)

Detecting Metastable Basins in High Dimensions via Marginal Trajectory Distribution Discrimination

We study the problem of identifying dynamically distinct basins of attraction in high dimensional time-homogeneous Markov processes using only trajectory sampling. This problem is fundamental in the analysis of metastable dynamical systems, where the process rapidly mixes within basins while transitions between basins occur rarely on the timescale of interest, or even when the state space is reducible. Existing approaches typically rely on spatial discretization or spectral analysis of estimated transition operators, which can become unreliable in high dimensional settings or when the underlying basin geometry is highly nonlinear. We propose a discriminative approach to basin identification based on marginal trajectory distribution comparison. We prove a simple risk separation result: if two initial states belong to the same basin, the Bayes-optimal classifier distinguishing their marginal trajectory distributions achieves risk close to 1/2, whereas if they lie in distinct basins, the optimal risk is close to zero. This observation reduces basin detection to a two-sample discrimination problem between marginal trajectory distributions. Motivated by this principle, we develop a neural algorithm that receives a set of candidate basin representatives and iteratively merges them by estimating classification risk with a neural network that approximates the Bayes classifier. We evaluate the method on various metastable systems. These include synthetic systems constructed by embedding low-dimensional dynamics into high dimensional noisy ambient spaces. In these settings, standard spectral and clustering-based methods often fail, while our approach accurately recovers the underlying basin structure. These results display a shortcoming of existing methods and highlight trajectory discrimination as an effective tool for identifying dynamical basins in high dimensional stochastic systems.
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Statistics Applications

Heritability: A Counterfactual Perspective

Heritability is a central concept in the long-standing debate about nature versus nurture in biological and social sciences. However, existing notions of heritability are based on strong assumptions and do not use explicit causal models. We propose a new, counterfactual definition of heritability by adopting the potential outcomes model in causal inference. Our counterfactual heritability measures the importance of genetic inheritance by the average magnitude of difference between an individual with their hypothetical “non-identical twin” that is exposed to the exact same environment. We provide bounds on the counterfactual heritability that can, in principle, be computed from observational data. We then compare counterfactual heritability and its associated bounds with common notions of heritability in population-based studies, twin and sibling studies, and plant breeding experiments. Our results and comparisons highlight the importance of clarifying the causal structural assumptions and counterfactual comparisons in reasoning about heritability.
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All authors Haochen Lei, Jieru Shi, Hongyuan Cao, Qingyuan Zhao

Statistical Methodology

PCA score regression: the art of losing power

The regression of principal component scores (RPCS) on covariates is a widely used analytic approach to detect and test for associations between functional measurements and study participant characteristics. Here we show that: (1) RPCS loses power relative to Function on Scalar Regression (FoSR); (2) the amount of power loss depends on the correlation between the PCs and the true effect; (3) if not corrected for multiplicity, RPCS has inflated $\alpha$-level; and (4) current RPCS methods do not provide valid inference for the true effect. In contrast, we show that Function on Scalar Regression (FoSR) can avoid these problems using a particular combination of modeling tools. We validate these theoretical findings through extensive simulations and illustrate their practical implications using minute-level accelerometry data from the National Health and Nutrition Examination Survey (NHANES).
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All authors Yu Lu, Nidhi Pai, Erjia Cui, Ciprian Crainiceanu

Statistics Theory · Cross-listed from cs.LG

Riemannian Archetypal Analysis: Interpretable non-linear data analysis on deformed star distributions

Classical archetypal analysis is appealing for its interpretability, but its linear geometry can limit performance on data with strongly non-linear structure; at the same time, existing neural extensions improve flexibility while often weakening the geometric meaning of archetypes and interpolations. In this work, we develop a Riemannian version of archetypal analysis based on data-driven pullback geometry for real-valued data, with the goal of combining the interpretability of classical archetypal analysis with the expressive power of modern non-linear models. We introduce a class of deformed star distributions together with associated pullback Riemannian geometry to provide a statistical interpretation of the resulting manifold mappings, define the Riemannian archetypal mapping (RAM) as a projection onto the manifold of geodesically convex combinations of archetypes, and propose a practical optimization scheme based on convex relaxation followed by non-convex refinement. We further propose a learning scheme that yields reasonable, albeit generally suboptimal, deformed star distributions from data. Experiments on synthetic examples and MNIST show that the resulting framework produces meaningful geodesics, useful denoising projections, and geometry-aware classifications, while also clarifying where current optimization limitations remain.
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Machine Learning (Statistics)

Causality as the Statistical Conscience of Artificial Intelligence: From Pearl's Ladder to Trustworthy Machines

Modern Artificial Intelligence achieves remarkable predictive power by optimizing statistical risk functionals over vast corpora. Yet a gap separates this from genuine intelligence: the inability to distinguish correlation from causation. This paper argues that causal inference (identifying mechanisms invariant under intervention) is AI's indispensable statistical conscience. Without causal grounding, AI systems are correlation machines: powerful in familiar domains, brittle under distribution shift, and biased in high-stakes settings. Three contributions develop this argument. First, a Statistical Necessity Theorem for Causal Generalization: any algorithm achieving out-of-distribution generalization must encode causal structure, formalizing the distinction between prediction P(Y|X) and intelligence P(Y|do(X)). Second, a unified framework connects Pearl's do-calculus, the Potential Outcomes framework, Double Machine Learning, and Invariant Risk Minimization as a family of Causal Statistical Estimators, each identifying interventional distributions under different assumptions. Third, three AI failure modes (hallucination in large language models, reward hacking in reinforcement learning from human feedback, and degradation under distribution shift) are manifestations of causal blindness, each admitting a principled statistical remedy. Trustworthy AI is, at its core, a problem of causal statistics. The statistical community is not merely equipped to solve it – it is the only community with the foundational tools to do so rigorously.
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Machine Learning (Statistics)

Optimal Non-Asymptotic Edgeworth Expansions for Multivariate Neural Network Outputs

Finite-width fully connected neural networks with Gaussian-initialized weights deviate from their infinite-width Gaussian limit, exhibiting non-vanishing higher-order cumulants. We approximate these deviations, for a neural network evaluated in a finite number of inputs, using multidimensional Edgeworth expansions of arbitrary order $4m-1$, with $m\in\mathbb{N}$. Assuming that the corresponding Gaussian limit has an invertible covariance matrix and that the activation function is polynomially bounded, we establish a bound of order $n^{-m}$ on the total variation distance between the law of the true network output and its Edgeworth approximation, with matching lower bounds. As an application, we quantify the error in Bayesian posterior distributions when the prior is replaced by its Edgeworth expansion. Our results are more general and also apply to sequences of conditionally Gaussian vectors converging to a Gaussian vector with invertible covariance.
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Statistical Computation

Convergence and non-asymptotic error analysis for kinetic Langevin samplers using the exact harmonic Langevin integrator

We propose a novel kinetic Langevin sampler based on a specific splitting scheme using the exact harmonic Langevin integrator. For strongly log-concave target measures, the sampler exploits a decomposition of the strongly convex potential into a quadratic part and a convex perturbation with Lipschitz continuous gradient. For the resulting first- and second-order schemes associated with this splitting we establish convergence rates in $L^2$-Wasserstein distance as well as non-asymptotic error bounds. In particular, the contraction rate is of the same order as that of the underlying continuous dynamics. To achieve $\varepsilon$-accuracy, the required step size for the second-order scheme is comparable to that of established splitting schemes such as OBABO or UBU, which are widely used in machine learning and molecular dynamics.
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Statistics Applications

Possession-Level Player Impact in the Pre-Play-by-Play NBA Era: A Video-Reconstructed RAPM Database, 1984–1996

Regularized Adjusted Plus-Minus (RAPM) is the standard framework for estimating individual player impact in basketball. Its application requires possession-level stint data – records of which five players shared the court for each contiguous sequence of possessions – a form of data the NBA did not systematically record until the late 1990s. This paper describes the construction, methodology, and validation of the first possession-level player impact database for the pre-play-by-play NBA era, covering the regular seasons from 1984–85 through 1995–96, spanning twelve published seasons. As of this writing, 2,179 regular-season games have been reconstructed across twelve published seasons, comprising 435,760 total logged possessions and 1,012 distinct player-seasons. Every game was manually reconstructed from broadcast video: lineup changes were logged at every dead-ball substitution, possessions were tallied directly from footage, and points scored by each lineup were recorded. RAPM is estimated via weighted ridge regression applied to the reconstructed stint data, using the identical mathematical framework applied to modern play-by-play records. We provide a rigorous treatment of the reconstruction protocol, the formal properties of the estimation procedure, uncertainty quantification through posterior credible intervals, a multi-criterion validation framework, and an analysis of sampling properties at partial coverage. The resulting database is the only possession-level individual impact record for this era and provides a foundation for historical analysis that has until now been technically inaccessible.
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Machine Learning (Statistics)

On the Stability of Spherical Hellinger-Kantorovich Flows and Their Implications for Differential Privacy

Gradient-flow sampling interprets a Gibbs distribution as the minimizer of an energy functional over probability measures and generates dynamics converging to this target. Under spherical Hellinger-Kantorovich (SHK) geometry, the flow couples transport and reaction and coincides with birth-death Langevin dynamics. In this work, we develop a perturbation theory for SHK gradient flows. For two potentials $V$ and $V^{\prime}$, we compare the associated flows from a common initialization and quantify how potential discrepancies propagate over time. A uniform perturbation bound yields dimension-free, pointwise control of the log-likelihood ratio and Rényi divergence, while additional structure allows us to derive bounds for the KL divergence as well. We apply these results to approximate sampling for the exponential mechanism in differential privacy. The likelihood-ratio control provides explicit time-dependent Pure-DP guarantees for SHK-based samplers, while the KL bound yields Approximate-DP certificates via hockey-stick divergence. We also derive a utility bound separating intrinsic exponential-mechanism suboptimality from finite-time sampling error.
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Machine Learning (Statistics) · Cross-listed from cs.LG

Training-Free Looped Transformers

We introduce training-free looped transformers, in which a lightweight inference-time wrapper loops a contiguous mid-stack block of layers of a frozen checkpoint without additional fine-tuning, continued training, or architectural changes. Unlike prior looped transformer methods that train with the looped structure end-to-end, we retrofit recurrence onto pretrained models at test time. We show that naive block reapplication usually degrades performance, highlighting the importance of the loop application strategy. Motivated by viewing a pre-norm transformer block as a forward Euler step on an ODE, we instead treat looping as a refinement of the same approximation, replacing one large update with smaller damped sub-steps. Across seven dense, sparse MoE, and MLA+MoE model families, our method improves Qwen3-4B-Instruct by +2.64 pp on MMLU-Pro, Qwen3-30B-A3B-Instruct by +1.14 pp on CommonsenseQA, and Moonlight-16B-A3B-Instruct by +1.20 pp on OpenBookQA.
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All authors Lizhang Chen, Jonathan Li, Chen Liang, Ni Lao, Qiang Liu

Machine Learning (Statistics)

Move on Muon : A Hamiltonian probability gradient flow perspective of Muon optimizer

We develop a gradient flow on the space of probability measures defined on matrix-valued parameters induced by regularized Muon, an analytically smoothed version of the idealized Muon optimizer. The key observation is that the regularized orthogonalization map is the gradient of a smooth Fenchel-dual smoothing of the nuclear norm. This identifies the (regularized) Muon update as a mirror/prox step in the update variable, with momentum acting as the dual coordinate. We use this structure to lift Muon from a single matrix parameter to finite-particle probability objectives of the form $J(\rho)=R\left(\int F d \rho\right)$, a setting motivated by mean-field descriptions of neural-network training, and derive the inertial continuous-time limit. Using this structure, we derive the finite-particle continuous-time limit under the inertial scaling of step size and momentum, and then pass to a phase-space mean-field equation over probability laws on parameter-momentum pairs. The resulting flow can be shown to be a damped Hamiltonian probability dynamics whose kinetic energy is induced by the regularized Muon mirror potential. We prove an exact Hamiltonian dissipation identity, showing that the Hamiltonian energy decreases monotonically. While the target objective itself need not be monotone along the inertial Muon dynamics, under additional gradient-dominance, bounded-momentum, and curvature/alignment assumptions, we obtain continuous and discrete-time exponential convergence rates for the objective gap. We also study the well-posedness of the mean-field limit equation and establish propagation of chaos guarantees for the interacting particle system. Finally, we extend the formulation to Hilbert-valued feature maps on product matrix spaces, yielding a blockwise Muon probability flow applicable to smooth transformer mixture-of-experts models.
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Statistics Applications

Anticipating Continued Global Fertility Decline via Neural Forecasting

The accelerating shift toward low and ultra-low fertility has intensified the debate over whether countries now undergoing rapid decline are approaching stabilization or entering a more persistent low-fertility regime. Existing projection systems answer that question differently because they embed different assumptions about recovery and about the role of external drivers. To provide an empirical benchmark in this debate, we introduce NeuralTFR, an endogenous global forecasting framework based on a recurrent neural network. Drawing on a harmonized panel of historical fertility series from 196 countries and territories, the model pools cross-country information to learn demographic momentum and generate empirical prediction intervals via multi-quantile regression. Evaluated on a held-out period (2009–2023), NeuralTFR achieves lower point-forecast errors than a Naive Drift baseline and BayesTFR, the United Nations' Bayesian Hierarchical Model, while maintaining competitive uncertainty calibration. In forward projections to 2040, NeuralTFR points to broader exposure to low and very low fertility than BayesTFR, suggesting weaker support for near-term stabilization while still falling short of the most severe decline paths predicted by the Global Burden of Disease project.
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All authors Daniel Ciganda, Facundo Morini, Francisco Piriz, Henrik-Alexander Schubert, Ugofilippo Basellini, Mikko Myrskylä

Statistics Theory · Cross-listed from cs.LG

Entrywise Error Bounds for Spectral Ranking with Semi-Random Adversaries

Bradley-Terry-Luce (BTL) model estimation is a well-established strategy to rank a collection of items given a dataset of pairwise comparisons. Although the theoretical performance of BTL estimation methods, such as spectral and maximum likelihood estimation, is well studied in the regime of uniformly sampled graphs, generalizing such results to a wider class of random graphs has proved challenging. In this work, we investigate the entry-wise error of spectral algorithms against a semi-random adversary that can arbitrarily boost the sampling probabilities of certain edges. We find that the performance of the unweighted spectral method is heavily dependent on the spectral properties of the generated graph. Furthermore, we show that asymptotic performance approaching that of uniformly sampled graphs can be recovered by appropriately reweighting the observed edges to counteract the adversary and restore the spectral gap. Finally, we provide numerical simulations that support our theoretical findings.
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Statistical Methodology

Joint Bayesian models for validating spatial health-event databases against a gold standard: separating global and local discrepancies

The reuse of medico-administrative and synthetic spatial data may overcome some limitations of population-based registries, provided rigorous validation is performed. However, no tool exists to spatially validate a candidate-for-reuse database (CFRD) against a gold standard (GS). We propose a Bayesian framework for two-dimensional (global and local) map-to-map validation of spatial health-event databases. We consider an error-model family (random [REM] and structured [SEM]) in which the CFRD is modelled as a departure from the GS. Both are compared with a shared component model (SCM). Global disagreement is assessed using the database-specific intercept difference ($RR_{\mathrm{global}}$), while local disagreement is measured by the exceedance probability of the database-specific error term. Disturbance scenarios included null, uniform, clustered, and random perturbations in the CFRD. Sensitivity, specificity, false detection rate, and Matthews Correlation Coefficient assessed detection performance. $RR_{\mathrm{global}}$ accurately recovered map-wide shifts across all models and scenarios. REM and SEM behaved were both sensitive and specific to local discrepancies. SCM was more conservative. Applied to Crohn's disease data from the EPIMAD registry and a CFRD, all models reached the same conclusion: the CFRD reproduced global and local spatial structures with an overall signal about 7% lower. Extensions to other outcome distributions, spatio-temporal models and calibration constitute natural next steps. Keywords: data reuse; spatial database validation; Bayesian hierarchical models; disease mapping; shared component model.
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All authors Mathias Brugel, Florine Kempf, Camille Ternynck, Marta Blangiardo, Michaël Génin

Statistical Methodology

Global Sensitivity Analysis: a novel generation of mighty estimators based on rank statistics

We propose a new statistical estimation framework for a large family of global sensitivity analysis indices. Our approach is based on rank statistics and uses an empirical correlation coefficient recently introduced by Chatterjee [9]. We show how to apply this approach to compute not only the Cramér-von-Mises indices, which are directly related to Chatterjee's notion of correlation, but also first-order Sobol indices, general metric space indices and higher-order moment indices. We establish consistency of the resulting estimators and demonstrate their numerical efficiency, especially for small sample sizes. In addition, we prove a central limit theorem for the estimators of the first-order Sobol indices.
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All authors Fabrice Gamboa, Pierre Gremaud, Thierry Klein, Agnès Lagnoux

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

Optimal Dimension-Free Sampling for Regularized Classification

We prove optimal sampling bounds achieving $(1\pm\varepsilon)$-relative error for a broad class of Lipschitz continuous classification loss functions under various regularization terms. This includes important functions such as logistic and sigmoid loss, hinge loss, and ReLU loss, as prominent and popular representative examples. In particular, we prove $k^2/\varepsilon^2$ upper and lower bounds for $\|\cdot\|_2/k$ regularization, and $k/\varepsilon^2$ upper and lower bounds for $\|\cdot\|_1/k$ regularization. For $\|\cdot\|_2^2/k$ regularization, the sampling complexity depends mainly on a bounded derivative property: if $|g'(x)|\leq g(x)$, and $g(0)>0$, and $g$ is monotonic or convex, then it admits linear in $k$ sampling complexity; otherwise the general bound is $k^2/\varepsilon^2$. However, if $g(0)=0$, our results indicate that no dimension-free bounds are possible, and even sublinear bounds are ruled out. All upper bounds are complemented by matching lower bounds up to polylogarithmic terms. Moreover, our work relies conceptually and algorithmically on simple uniform or (squared) norm sampling and hereby improves over recent cubic $k^3/\varepsilon^2$ sensitivity sampling bounds of (Alishahi and Phillips, ICML'24). This is achieved by refined arguments involving higher moment bounds and empirical process analyses to avoid overcounting that appears in the de-facto standard VC-dimension and sensitivity framework.
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All authors Meysam Alishahi, Alexander Munteanu, Simon Omlor, Jeff M. Phillips

Statistical Computation

Trajectory-Oriented Optimization Via Adaptive Thompson Sampling And Grid Refinement: A Tutorial With The ADAPTIVE\_TS Package

Stochastic simulators are increasingly used to expand the frontier of scientific knowledge and inform decision-making across real-world contexts. Simulator calibration, a process by which internal model inputs are tuned to match some external criteria, usually in the form of observed data, is a key step in model design and validation. Epidemiological simulators present an especially compelling use case, as evidenced by the recent COVID-19 pandemic. Among several calibration paradigms, trajectory-oriented optimization is an emerging approach that does not require assumptions on the stochastic behavior of the simulator replicates and is particularly effective at identifying trajectories through the lens of errors between the simulator and observed data, especially when combined with Bayesian optimization. We present a tutorial on trajectory-oriented optimization with adaptive\_ts, an open-source Python package. We also provide a series of worked examples on an accompanying webpage.
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All authors David O'Gara, Arindam Fadikar, Mickaël Binois, Nicholson Collier, Jonathan Ozik

Statistical Methodology

Joint Estimation of Marginal and Heterogeneous Treatment Effects

Randomized clinical trials typically aim to estimate a marginal treatment effect. While covariate adjustment can improve precision, it may change the estimand in nonlinear models due to noncollapsibility, leading to conditional rather than marginal treatment effects. At the same time, identifying prognostic and predictive covariates is important for understanding treatment effect heterogeneity and informing clinical decision-making. Keeping marginal interpretability while allowing efficiency gains and assessment of heterogeneity remains a methodological challenge. In this work, we extend nonparanormal adjusted marginal inference to allow for heterogeneous treatment effects. The proposed framework embeds the marginal treatment effect directly in a joint model for the outcome and baseline covariates. This construction preserves marginal interpretability while adjusting for potentially prognostic and/or predictive covariates. The method applies to continuous, binary, ordinal, and time-to-event outcomes and allows explicit estimation and ranking of prognostic and predictive covariates on a common scale. For continuous outcomes, we show that the asymptotic variance of the marginal treatment effect measured as Cohen's $d$ is never worse and often better under covariate adjustment than without adjustment. Efficiency gains are primarily driven by prognostic effects, with realistic predictive effects contributing little additional improvement. Simulation studies confirm these findings across outcome types and demonstrate unbiased and more efficient estimation of marginal effects for Cohen's d, log-odds ratios, and log-hazard ratios. Application to an acupuncture trial demonstrates that the method reproduces the original trial findings while improving efficiency and allowing ranking of prognostic and predictive covariates.
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Statistical Methodology

A note on closed-form solutions for estimating sample size when externally validating a binary prediction model based on $C$-statistic precision

External validation of clinical prediction models is crucial for assessing whether they are fit for use. The $C$-statistic is a widely used measure of discriminative performance of such models predicting a binary outcome. A method for obtaining the minimum sample size required for the precise estimation of the $C$-statistic during validation, based on the rearrangement of Newcombe's formula for the standard error of the $C$-statistic {SE($C$)}, was recently proposed and implemented in R and Stata software via an iterative computational approach. We present seven novel closed-form solutions, derived using different computer algebra systems and artificial intelligence models, to the algebraic rearrangement of Newcombe's formula. We present these distinct forms to demonstrate how different computational tools yield structurally distinct but mathematically equivalent solutions, and to evaluate their practical differences in computational performance. Our closed-form solutions yield identical sample size estimates to the iterative method when applied to illustrative examples. In a benchmarking analysis, the closed-form solutions were on average 148,000 to 264,000 times faster in median execution time than the current iterative implementation, while also exhibiting minor efficiency differences among themselves. This work provides a validated, highly efficient computational tool applicable to sample size calculation for external validation studies. R code functions implementing the closed-form solutions are provided.
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All authors Denis A. Shah, Erick D. De Wolf, Pierce A. Paul, Laurence V. Madden

Machine Learning (Statistics)

Learning Kernel-Based MDPs from Episodic Preferential Feedback

Human feedback often arrives as preferences rather than calibrated numeric rewards, motivating reinforcement learning from preferential feedback, also referred to as reinforcement learning from human feedback (RLHF). We present a rigorous theoretical study of preference-only learning in episodic kernel MDPs. In each episode, the learner deploys two policies from a common start state and receives a single binary label indicating which trajectory is preferred, modeled by a Bradley–Terry–Luce link on the difference of cumulative (unobserved) rewards. Under kernel-based assumptions on the reward and transition functions (one of the most general models amenable to theoretical analysis) we develop preference-based value estimation and confidence sets tailored to end-of-episode comparisons. We prove high-probability regret bounds that scale sublinearly in the number of episodes, implying that the value of the learned policy converges to that of the optimal policy.
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Statistics Theory · Cross-listed from eess.SP

Diffusion Fluid Antenna Systems for Resilient ISAC

Most existing integrated sensing and communication (ISAC) studies focus on enabling a base station (BS) to support sensing and communication over shared resources through advanced waveform design and power allocation. In contrast, the object-side perspective remains underexplored. For example, an object may wish to remain difficult to detect for security reasons, while another object in close proximity may generate dominant reflections that confuse the BS and impair sensing reliability for the intended target. These challenges motivate the fluid antenna system (FAS) paradigm which introduces a reconfigurable spatial degree of freedom (DoF) that can reshape sensing signatures via port selection, beyond what waveform and power control alone can provide. In this paper, we devise diffusion FAS, a generative artificial intelligence (AI)-driven framework that exploits spatial agility to steer ISAC performance over the electromagnetic fading manifold. Instead of optimizing ISAC solely in the power domain, diffusion FAS casts ISAC as a dynamic spatial selection problem in which antenna states (i.e., ports) are chosen to shape sensing signatures while maintaining communication objectives. To work under sparse measurements, we employ a conditional denoising diffusion probabilistic model (DDPM) to reconstruct the latent spatial correlation structure from a small set of observed ports, enabling efficient exploration of the reconfigurable aperture. We demonstrate two FAS-enabled ISAC modes: (1) generative spatial stealth, which identifies localized deep fades to suppress a target's sensing visibility by up to two orders of magnitude, and (2) target isolation, which synthesizes spatial nulls that reject interference from adjacent objects.
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All authors Noor Waqar, Kai-Kit Wong, Chan-Byoung Chae, Ross Murch

Machine Learning (Statistics)

Dirichlet-Based Monte Carlo Dropout for Uncertainty Estimation in Neural Networks

Traditional neural networks provide deterministic predictions without inherent uncertainty estimates. While Bayesian Neural Networks (BNNs) offer a principled approach to uncertainty quantification, their computational complexity limits scalability. Monte Carlo (MC) Dropout, initially introduced as a regularization technique, has been shown to approximate Bayesian inference by enabling probabilistic modeling through multiple stochastic forward passes. In this work, we enhance uncertainty estimation in deep learning by integrating a Dirichlet-based framework within MC Dropout. Specifically, we leverage the formulation proposed by Sensoy et al. (2018), where class probabilities are modeled using a Dirichlet distribution, allowing for a more informative uncertainty representation. The proposed approach maintains the computational efficiency of MC Dropout while improving the quality of uncertainty estimates. We discuss the theoretical foundations of our method and compare it with existing uncertainty quantification techniques. The results highlight the effectiveness of the proposed method in producing well-calibrated uncertainty estimates, offering a practical solution for uncertainty-aware deep learning models.
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All authors Rouaa Hoblos, Noura Dridi, Noureddine Zerhouni, Zeina Al Masry

Statistical Computation

Directional subset simulation method for reliability analysis

Estimating the probabilities of rare failure events is a key challenge in the reliability analysis of physical systems. Subset simulation (SS) is a very popular adaptive Monte Carlo method for this problem. In SS, the small failure probability is evaluated as a product of larger conditional probabilities by iteratively sampling a sequence of nested sub-domains of the parameter space, encompassing the target failure domain of interest, using Markov chain Monte Carlo methods. For failure domains with multiple modes, the Markov chain samples used to explore the intermediate levels of SS can be trapped in a confined region of the input parameter space, leading to inaccurate failure probability estimates. In this contribution, we propose the directional subset simulation (dSS) method for this problem, which uses concepts from directional sampling to informedly propagate samples towards failure. This is accomplished through a novel selection of the intermediate failure domains, which preserves samples in several directions in the parameter space in each intermediate level. The merits of the dSS method are illustrated through a selection of numerical examples.
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Statistical Methodology

The frame problem in quantitative practice: ontological uncertainty and epistemic humility in an age of automated inference

Quantitative practice across statistics, engineering, and machine learning has been transformed by the automation of inference. Predictions are produced, validated, and deployed at scale and speed that human-mediated reasoning could not match. This shift intersects with a structural limit of reasoning that no methodological refinement dissolves: every inference rests on a finite specification of conditions, and what falls outside the specification does not appear as a widened uncertainty band -it does not appear at all. The choice of specification -the frame -is upstream of the inference and cannot be audited from inside the system that uses it. This paper offers a synthetic, application-oriented review. We argue that three categories of uncertainty operate in quantitative practice -aleatory, epistemic, and frame (or ontological) -and that the third, the residue of finite specification, is structurally invisible to formal analysis within the chosen frame and is the locus of most consequential failures. We trace why the limit applies equally to deductive and inductive reasoning, why no meta-level procedure dissolves the regress, and why current conditions of automated inference make epistemic humility -the practical disposition this argument supports -more, not less, important. We articulate the argument's specific resonances for five typical figures of contemporary quantitative work -the engineer, the statistician, the mathematician, the machine-learning practitioner, and the non-specialist recipient of expert claims -showing how the structural argument bears on each practice's natural defenses. The argument is not against rigor or against quantification; it is for distinguishing rigor earned within a frame from rigor with respect to the frame.
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Machine Learning (Statistics)

Asymmetric Scaling Laws from Sparse Features

We introduce a model for neural scaling laws under sparse activations. In the model, test loss is often dominated by rare coordinates that are never observed in the training input. This mechanism induces a novel bottleneck absent from dense models. We derive the asymptotic population loss in both the underparameterized and overparameterized regimes, and show that the loss exhibits a double-descent peak near the interpolation threshold – where the number of parameters is just sufficient to fit the training data – resulting in a loss curve governed by two distinct scaling exponents – one for the overparameterized regime and one for the underparameterized regime – with a gap determined by the degree of sparsity. Additionally, we derive a compute-optimal frontier that favors increasing dataset size over model capacity under fixed compute budgets. We also analyze gradient-descent dynamics and identify a scaling law for the probability that fixed-step gradient descent becomes unstable. We further show that the sparsity-induced effect persists under nonlinear activations.
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Machine Learning (Statistics)

Concomitant DAG Learning: On the Roles of Noise Adaptivity, Sparsity, and Non-negativity

Directed acyclic graphs (DAGs) constitute a central modeling tool to enable principled reasoning about cause-effect interactions in complex systems. However, since the causal structure underlying a group of variables is often unknown and interventions may be infeasible or ethically challenging to implement, there is a need to address the task of inferring DAGs from observational data. However, most classical structure identification approaches face two key obstacles: the combinatorial challenge of enforcing acyclicity, which severely limits scalability, and identifiability challenges arising from latent confounding or heterogeneous noise. This tutorial offers an overview of recent signal processing and optimization advances that address these issues by recasting DAG structure learning as a continuous, score-based estimation problem over adjacency matrices. We begin with a didactic introduction to structural equation models and the formulation of causal graph recovery, followed by a historical survey of score-based methods ranging from early combinatorial search schemes and greedy heuristics to modern continuous frameworks that leverage smooth characterizations of acyclicity. Building on this foundation, we describe concomitant DAG estimation methods that jointly infer sparse causal structure and exogenous noise levels, improving robustness under heteroscedasticity and distribution shifts by rendering the estimator noise adaptive. All in all, the tutorial introduces readers to challenges and opportunities for signal processing research at the crossroads of causal inference, high-dimensional statistics, and scalable graph learning, while outlining emerging directions including online, nonlinear, and neural causal discovery.
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All authors Gonzalo Mateos, Samuel Rey, Hamed Ajorlou, Mariano Tepper

Statistical Methodology

Generalized Stochastic Approximation of the Log-Likelihood Ratio for Robust Sequential Change-Point Detection

Generalized stochastic approximation replaces the log-likelihood ratio of a sequential change-point problem by an affine function of a fixed feature dictionary, whose coefficients solve a normal system in the dictionary's moments under the pre- and post-change laws. The increment is a rescaled orthogonal projection of the bounded score, and the information it carries is bounded by the triangular discrimination between the laws. The dictionary decides what is detectable: a symmetry shared by both laws annihilates a whole parity at every order, and one further column raises the information by an explicit bordered-metric increment. A single efficiency factor, at most one, governs all three procedures the increment drives – cumulative-sum, Shiryaev-Roberts and Shiryaev – through false-alarm and delay bounds valid at every threshold. Estimated coefficients are consistent and asymptotically normal. A Monte-Carlo study measures the factor against the delay ratio it predicts, and locates the order at which the dictionary stops paying.
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2605.23419 · 22 May · v4: scope narrowed to the theory. The benchmark study of v1-v3 is withdrawn: a scoring error counted a run with no alarm as a detection, inflating the proposed method only. Theory and proofs stand. The normal system is now normalised F = C_0+C_1, halving J(s) and doubling theta_0 – units, not a correction of Theorem 2. Full account on page 1. 29 pages

Statistics Theory · Cross-listed from cs.LG

Instance-Optimal Estimation with Multiple LLM Judges on a Budget

Evaluating large language models increasingly relies on LLM-as-a-judge protocols, but such evaluations remain costly: different judges have different prices and reliabilities, and the difficulty of each prompt-response pair can vary substantially. This raises a basic allocation question: under a fixed budget, how should one distribute evaluation queries across heterogeneous judges and instances to obtain the most accurate score estimates? We formalize this question as *budgeted heteroskedastic multi-judge estimation*. Given $K$ prompt-response pairs, $J$ judges with known costs, and unknown query-judge variances, the goal is to estimate a bounded score vector while minimizing an $\ell_p$-error. Our first contribution is to analyze the inverse-variance weighted estimator (IVWE) and to derive the oracle allocation that minimizes its error rate. Since this allocation depends on the unknown variances, we then address the practical unknown-variance setting by proposing EST-IVWE, an adaptive algorithm that constructs and leverages *optimistically biased* variance estimates to stabilize the empirical allocation. We prove that EST-IVWE matches the oracle IVWE rate up to lower-order terms in the budget. Our second and central theoretical contribution is a matching *local* minimax lower bound, which establishes the instance-optimality of the proposed algorithms. A key technical insight is that Fano-type high-probability arguments are too coarse for this problem: their packing construction loses the local variance structure that governs the optimal allocation. We instead use an Assouad-type in-expectation argument, based on local perturbations, which preserves this structure and yields the sharp allocation-dependent lower bound. Finally, we numerically validate the superiority of our approach over naïve uniform allocation on synthetic and HelpSteer2 datasets.
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All authors Junghyun Lee, Sanghwa Kim, Yassir Jedra, Alexandre Proutière, Se-Young Yun

Statistical Methodology

Generalized Rank Regression

Rank regression offers robustness to outliers and heavy-tailed response distributions, invariance to monotonic transformations, and improved efficiency under non-Gaussian errors, making it a versatile tool for analyzing complex data. This paper introduces Generalized Rank Regression (GRR), an extension of classical rank-based methods that accommodates non-monotonic score functions. While aimed at enhancing the statistical efficiency of robust estimators, this generalization results in a potentially non-convex and non-smooth objective function, presenting challenges for both theoretical analysis and algorithmic implementation. We derive a non-asymptotic Bahadur representation of the proposed estimator and establish its asymptotic normality under mild conditions. To address the optimization challenges, we propose a new two-stage sub-gradient descent algorithm that enables efficient computation of GRR estimators with desirable statistical properties. Furthermore, we develop a multiplier bootstrap procedure for conducting statistical inference. A close connection between GRR and variants of quantile regression is uncovered, which demonstrates that GRR and composite quantile regression share asymptotically equivalent variances. The advantages of GRR are illustrated through extensive simulation studies and a real data application.
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All authors Jiyuan Tu, Suqi Wu, Yichen Zhang, Wen-Xin Zhou

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

When Is Next-Token Prediction Useful? Marginalization, Ergodicity, Mixture Identifiability, Local Sufficiency, RAG, Tools, and Programming

Language models trained on observed sequences are often described as learning the conditional distribution of the next token given previous tokens. This description is only conditionally correct. A model trained on realized token trajectories does not observe full conditional laws; it receives sampled continuations. Moreover, real language generation is conditioned not only on previous words but also on non-textual circumstances: facts, events, intentions, goals, beliefs, social context, and task-specific constraints. This paper distinguishes three objects that are often conflated: the full conditional language process conditioned on latent circumstances, the marginal text-only process obtained by integrating those circumstances out, and the model-induced distribution learned from finite observed corpora. The paper argues that interpreting model training as estimating the marginal text-only law requires strong assumptions of stationarity, representativeness, and ergodicity, assumptions that are standard in statistical estimation but problematic when applied to heterogeneous language corpora. Even if these assumptions hold, the marginal text-only law is useful only when the observed prefix is an approximately sufficient statistic for the latent circumstances relevant to continuation. In information-theoretic terms, usefulness requires that the residual conditional mutual information between the next token and the omitted circumstances, given the observed text, be small. The paper then extends this argument to heterogeneous training corpora. Finally, the paper interprets Retrieval Augmented Generation (RAG) and tool use as conditional sufficiency devices.
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