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Monday 18 May

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

A Unified Framework for Data-Free One-Step Sampling via Wasserstein Gradient Flows

We develop a unified theoretical framework for data-free one-step sampling from unnormalized target distributions based on Wasserstein gradient flows. For a broad class of standard f-divergence objectives, we show that the induced velocity field admits the universal form $\mathbf{V}(x)=w(r(x))\,\beta(x)$, where $\beta(x)=\nabla \log (p(x)/q(x))$ is shared across objectives and $w$ is determined solely by the choice of divergence. This decomposition shows that standard f-divergence drifts share the same asymptotic target distribution $p$ and differ primarily in how they redistribute transient repair effort across under-covered regions. To formalize this distinction, we derive a one-step regional-response theory for a soft under-coverage functional and obtain a compression–elasticity identity that links divergence choice to the geometry of mass transport into under-covered regions. We further extend the framework beyond the f-divergence family to the Log-Variance (LV) divergence, analyze how the reference distribution alters the resulting drift structure, and motivate a practical LV-inspired surrogate for data-free training. Based on this theory, we instantiate the framework with a KDE-based implementation and describe a complementary normalizing-flow route, enabling one-step inference after training. Experiments on multimodal Gaussian-mixture benchmarks are consistent with the theoretical predictions and demonstrate effective one-step sampling on these targets.
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Statistics Theory

Self-Distillation is Optimal Among Spectral Shrinkage Estimators in Spiked Covariance Models

Self-distillation has emerged as a promising technique for improving model performance in modern machine learning systems. We develop the statistical foundations of self-distillation in spiked covariance models, by introducing and analyzing a broad class of estimators, namely spectral shrinkage estimators. We establish that for spiked covariance matrices with $s$ spikes, $s$-step self-distillation achieves optimal performance among spectral shrinkage estimators, outperforming well-known estimators in statistics and machine learning. Moreover, we show that $s$ steps are necessary for optimality: any $(s-k)$-step distilled estimator is strictly suboptimal for $1 \leq k \leq s$. For the special subclass of isotropic covariances, we show that optimally tuned Ridge regression performs best among spectral shrinkage estimators. We also study a federated approach where multiple data centers share spectral shrinkage estimators and a common server seeks to aggregate them to achieve optimal performance. In this case, we find that the best local rule again takes the form of self-distillation, though it differs from the optimal rule when data are hosted centrally on a single server. Together, our results elucidate why self-distillation improves predictive performance and provide a broader statistical framework connecting it with classical shrinkage-based methods.
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Statistics Applications

Multi-Class Neurological Disorder Prediction with Tensor Network Feature Engineering

Accurate diagnosis of neurological disorders is contingent upon advanced imaging modalities such as Magnetic Resonance Imaging (MRI), which commonly utilize sparse imaging techniques to reconstruct images from limited data, thus reducing storage and acquisition time. However, challenges remain in managing noise and preserving critical diagnostic features for effective analysis. In this study, an ensemble classifier is enriched with PARAFAC CP tensor decompositions, drawing mathematical inspiration from quantum neural network architectures but implemented entirely classically. The model was evaluated on a large, balanced clinical dataset comprising 55,160 images across 8 diagnostic categories, employing both higher and lower PARAFAC rank configurations. Evaluated through 5-fold nested stratified cross-validation, both configurations achieved strong validation performance, demonstrating robustness to tensor network expressivity. Additionally, the proposed model achieved competitive performance relative to recent classical approaches, further underscoring the potential of quantum-inspired classical frameworks to enhance medical image analysis and support reliable clinical diagnosis. Future work will explore the integration of advanced encoding schemes, deployment on real quantum hardware, and the use of more diverse neurological datasets.
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All authors Keshav Balakrishna, Aaryan Chityala, Vivan Kanna, Ishan Pathak, Harshit Ravula, Aaron Lee, Alessandro Hammond, Moemal Al-Wishah, Leo Anthony Celi

Machine Learning (Statistics)

Feature Learning in Linear-Width Two-Layer Networks: Two vs. One Step of Gradient Descent

We study feature learning in two-layer neural networks within the linear-width regime, where the number of hidden neurons, sample size, and input dimension scale proportionally. While recent work has analyzed feature learning via a single step of gradient descent on the first layer weights in this regime, such one-step update schemes are fundamentally limited: the update to the weights is approximately rank-one, captures only a single direction, and requires the target function to have an information exponent of one. In this paper, we go beyond one-step updates to provide a full characterization of the features learned during the second step of gradient descent with step-sizes $\eta_1\asymp N^{\alpha_1}$ and $\eta_2 \asymp N^{\alpha_2}$ for $\alpha_1, \alpha_2 \in [0,0.5)$, where $N$ is the number of hidden neurons. We derive a spectral characterization of the updated weights, demonstrating they behave as a spiked random matrix with multiple outliers, each corresponding to a learned direction. We show that the number of the outliers is determined by the parameters $\alpha_1, \alpha_2$ through $\lfloor \frac{\alpha_2}{1/2 - \alpha_1} \rfloor$. Furthermore, by analyzing the alignment between the learned directions and the target function, we identify a gap between training with independent versus reused batches. While independent batches restrict learning to directions with an information exponent of one, batch reuse enables the second update to capture directions even when the information exponent exceeds one, provided that $\alpha_1, \alpha_2$ are chosen properly. This shows that the benefits of batch reuse, previously observed in narrow-width regimes, persist in the linear-width limit as well. By characterizing these early-phase evolutions, our work proposes a tractable framework for studying optimization and feature learning phenomenology in modern overparameterized networks.
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Statistical Methodology

Stationary birth-death processes generating inflation-deflation distributions: Avoiding the issue of dominance

A mixture of two or more count distributions has become deeply embedded in the analysis of excess counts, often relative to the stationary (equilibrium) distributions of birth-death processes such as the geometric, Poisson, Poisson-Lindley (PL), negative binomial (NB), hyper-Poisson (HP), and Conway-Maxwell-Poisson (CMP) distributions. However, the mechanism by which excess counts arise–namely, through modifications of the birth and death rates in the base distributions–has not yet been directly examined in the research literature. All well-known inflation mixture distributions are, in fact, parameterizations of the stationary distributions of birth-death processes. Thus, although the resulting distributions share the same shapes, they arise from distinct mechanisms and are not equivalent in regression analyses. This paper focuses on inflation-deflation stationary distributions arising from modified birth-death processes that form an exponential family and introduces two types of such distributions.
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Statistical Methodology

Comparing Two Categorical Gini Correlations with Applications to Classification Problems

This article proposes an inferential framework for comparing predictor importance in classification problems with categorical response variables. The approach is based on the categorical Gini correlation (CGC) proposed by Dang et al. (2020), a measure of dependence between numerical predictors and categorical outcomes. Predictor importance is evaluated by testing differences in CGCs across competing predictor groups. The proposed methodology accommodates predictors of arbitrary and unequal dimensions and allows for dependence between predictor groups. Asymptotic normality of the test statistic is established under both the null and alternative hypotheses, and the resulting test is shown to be consistent. In addition to deriving the asymptotic distribution, a nonparametric bootstrap procedure is developed as an alternative approach to inference. Simulation studies, along with applications to breast cancer and human activity recognition datasets, demonstrate the effectiveness of the proposed framework.
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Machine Learning (Statistics) · Cross-listed from cs.LG

Testable and Actionable Calibration for Full Swap Regret

AI generated predictions increasingly inform decision making in critical tasks, and therefore must be trustworthy. One widely used measure of trustworthiness is calibration, which requires that the predictions match the true frequencies and can be treated like real probabilities of a given outcome. However, defining calibration is subtle, and designing good measures of calibration error has been an active topic of recent research. The first goal is to find calibration measures that are actionable, meaning they can inform decision makers about their utility loss when predictions are treated as true probabilities, which is known as swap regret. The second goal is to find calibration measures that are testable, meaning that calibration error can be measured from a small sample of predictions and outcomes. Although these are very basic requirements, there is no existing calibration measure that fully satisfies both properties, and all existing measures relax actionability by bounding a weaker notion of swap regret, or relax testability by having suboptimal estimation error. We introduce a new calibration measure, Soft-Binned Calibration Decision Loss (SCDL), which we prove is fully actionable without weakening either requirement, and testable with nearly optimal error rate. In addition, SCDL satisfies other desired properties such as continuity and consistency. We also provide a set of experiments confirming that the theoretical advantages of SCDL compared to other measures lead to better performance in practice.
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All authors Konstantina Bairaktari, Lunjia Hu, Huy L. Nguyen, Jonathan Ullman

Machine Learning (Statistics)

StatQAT: Statistical Quantizer Optimization for Deep Networks

Quantization is essential for reducing the computational cost and memory usage of deep neural networks, enabling efficient inference on low-precision hardware. Despite the growing adoption of uniform and floating-point quantization schemes, selecting optimal quantization parameters remains a key challenge, particularly for diverse data distributions encountered during training and inference. This work presents a novel statistical error analysis framework for uniform and floating-point quantization, providing theoretical insight into error behavior across quantization configurations. Building on this analysis, we propose iterative quantizers designed for arbitrary data distributions and analytic quantizers tailored for Gaussian-like weight distributions. These methods enable efficient, low-error quantization suitable for both activations and weights. We incorporate our quantizers into quantization-aware training and evaluate them across integer and floating-point formats. Experiments demonstrate improved accuracy and stability, highlighting the effectiveness of our approach for training low-precision neural networks.
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Machine Learning (Statistics)

How does feature learning reshape the function space?

Feature learning is widely regarded as the key mechanism distinguishing neural networks from fixed-kernel methods, yet its impact on the induced function space remains poorly understood. In this work, we precisely characterize how the function space spanned by the features of a two-layer neural network evolves during gradient descent training. We prove that, in the high-dimensional proportional regime, after a large gradient step the post-update feature distribution is well approximated by a target-dependent spiked Gaussian covariance. This induces a data-adaptive kernel that reshapes the function space and modifies its spectral structure. Our analysis reveals that feature learning can be interpreted as a distributional transformation in either parameter space or input space, equivalently as the introduction of a target-dependent kernel. In particular, it selectively amplifies eigenvalues aligned with the target direction and mixes leading eigenfunctions, coupling the top radial mode with a target-aligned quadratic harmonic. Overall, our results provide a precise function-space perspective on early-stage feature learning: rather than just rescaling a fixed kernel, gradient descent induces a data-adaptive deformation that preferentially enhances directions aligned with the signal in the data.
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All authors João Lobo, Bruno Loureiro, Long Tran-Than, Fanghui Liu

Machine Learning (Statistics)

Online Conformal Prediction for Non-Exchangeable Panel Data

We study online conformal prediction in a partially observed panel: a new cross-section of peer outcomes is observed before each target outcome, target feedback may be intermittent or absent, and neither units nor rounds need be exchangeable. We propose Weighted Temporal Quantile Adjustment (W-TQA), which combines similarity weights learned from unit histories with an adaptive target-specific miscoverage level. We prove that neither target-peer mismatch nor coverage on unrevealed rounds is identifiable, so assumptions on cross-unit similarity and on the feedback mechanism cannot be avoided. We bound the past-conditional miscoverage in terms of this mismatch, quantify the cost of learning the weights under a profile-similarity assumption, and show that the implemented procedure, which falls back on the largest peer score, attains long-run average coverage under missing-completely-at-random feedback and a feasibility condition on the calibration panel. On synthetic panels and four real panels, including a genuinely asynchronous U.S.-to-Tokyo equity panel, W-TQA attains the highest coverage on the worst-covered target units on every panel; similarity weighting contributes most when target feedback is scarce, and temporal adaptation more as feedback accumulates.
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Sunday 17 May

Statistical Methodology

A Tutorial on Symbolic Structural Identifiability Analysis of ODE Models in Julia

Structural identifiability analysis determines whether the parameters of a mechanistic ordinary differential equation (ODE) model can be uniquely recovered from ideal observations and is a prerequisite for reliable parameter estimation. This tutorial presents a reproducible computational framework for symbolic structural identifiability analysis using StructuralIdentifiability.jl. We introduce the concepts of local and global identifiability, observability, parameter-to-output mappings, and identifiable parameter combinations within a unified computational workflow. The methodology is illustrated through six case studies from epidemiology, pharmacokinetics, and within-host viral dynamics, demonstrating globally identifiable models, locally but not globally identifiable models, structurally non-identifiable models, identifiable parameter combinations, and strategies for restoring identifiability through additional measurements, known initial conditions, fixed parameters, and model reparameterization. Every identifiability verdict reported here is reproduced by companion scripts run in a pinned and tested Julia environment and, where possible, confirmed by an explicit input–output or symmetry argument. The tutorial also shows how models built with ModelingToolkit.jl or Catalyst.jl, or imported from SBML, enter the analysis, how several experimental conditions can be pooled, and how structural identifiability fits into the subsequent steps of experimental design, parameter estimation, and practical identifiability analysis, providing a practical guide to structural identifiability analysis for mechanistic ODE models.
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Machine Learning (Statistics) · Cross-listed from cs.LG

A Two-Parameter Weibull Framework for Diagnosing Transformer Weight Distributions

We apply the Weibull distribution – a two-parameter family from extreme-value theory – as a diagnostic framework for element-wise weight magnitude distributions in transformers. At initialization, i.i.d. Gaussian weights give |w| ~ HalfNormal, yielding k ~ 1.20 via middle-80% probability-plot fit (the protocol used throughout this work). This anchor makes k a principled, architecture-independent measuring stick for training dynamics; fitting each weight matrix independently at every layer at every checkpoint enables per-component, per-layer, and per-step diagnostics that aggregate statistics cannot resolve. Applying this framework to 12 model entries spanning 7 architectural families (Pythia, OLMo-1/2, LLaMA-3, Mistral, Qwen2.5/3) reveals three findings. First, FFN modules and the attention output projection W_o – the Transmission Class – fall in a narrow k band: median terminal k in [1.186, 1.204] across 12 entries (cross-family CV = 0.51%), shared across SwiGLU/GeLU activations, Pre-LN/QK-Norm placements, and 70M-14B sizes. Second, the attention input projections W_q, W_k – the Selection Class – depart from the Weibull family, with severity shaped by storage: separately-stored Q/K (OLMo-1, OLMo-2) yields k in [0.76, 0.99] (deep); GQA models yield k in [1.10, 1.16] (mild); Pythia's merged W_qkv occupies a transitional zone tracking training budget T/tau monotonically. Third, lambda grows substantially during training and scales with sqrt(eta/lambda_wd) within the Pythia family (Pearson r = 0.94, three Transmission kinds), directionally consistent with Fan et al. (2025). The two parameters carry independent information: k labels the functional class, lambda labels training progress. We release npm-weibull-py v0.4 (Python library) and DATABASE_v9_1 at https://github.com/tiexinding/NPM-Weibull-public .
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Statistical Methodology

Do Stationarity Transformations Actually Improve Time Series Forecasts? A Controlled Experimental Evaluation

Stationarity transformations, such as differencing, are a common preprocessing step in forecasting, motivated by the idea that modifying a series to achieve stationarity improves accuracy. Whether this is true, and for which processes, has rarely been evaluated in controlled experiments. We study the decision to transform as the object of inquiry. We cross eighteen synthetic data-generating processes, most of them stochastic-trend processes spanning exact and near unit roots, fractional integration, seasonal unit roots, structural breaks, and heteroscedasticity, with ten transformations, five models, and three horizons, replicated by Monte Carlo, for 35,099 evaluations. Each forecast is inverted to the original scale, with the differencing inverse anchored at the forecast origin, and scored by the mean absolute scaled error. Signal-preserving transforms, namely deterministic detrending and seasonal differencing matched to series structure, improve accuracy, whereas indiscriminate differencing degrades it. A mediation analysis shows that differencing achieves trend stationarity, but trend stationarity is only weakly associated with accuracy, and transforms differ in their effects on predictable structure. Choosing the transformation by out-of-sample validation yields lower regret than unit-root pretesting or any fixed rule, with blanket differencing performing the worst. The findings are confirmed by real-world validation on nine series from two domains.
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Machine Learning (Statistics)

On Gaussian approximation for entropy-regularized Q-learning with function approximation

In this paper, we derive rates of convergence in the high-dimensional central limit theorem for Polyak–Ruppert averaged iterates generated by entropy-regularized asynchronous Q-learning with linear function approximation and a polynomial stepsize $k^{-\omega}$, $\omega \in (1/2,1)$. Assuming that the sequence of observed triples $(s_k,a_k,s_{k+1})_{k \geq 0}$ forms a uniformly geometrically ergodic Markov chain, and under suitable regularity conditions for the projected soft Bellman equation, we establish a Gaussian approximation bound in the convex distance with rate of order $n^{-1/4}$, up to polylogarithmic factors in $n$, where $n$ is the number of samples used by the algorithm. To obtain this result, we combine a linearization of the soft Bellman recursion with a Gaussian approximation for the leading martingale term. Finally, we derive high-order moment bounds for the algorithm's last iterate, which might be of independent interest.
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All authors Artemy Rubtsov, Rahul Singh, Eric Moulines, Alexey Naumov, Sergey Samsonov

Machine Learning (Statistics) · Cross-listed from math.OC

Training Infinitely Deep and Wide Transformers

Transformers have become the dominant architecture in modern machine learning, yet the theoretical understanding of their training dynamics remains limited. This paper develops a rigorous mathematical framework for analyzing gradient-based training of transformers in the mean-field regime, where both the depth (number of layers) and width (number of attention heads) tend to infinity. While ResNet training can be understood as controlling a neural ODE, transformer training corresponds to controlling a neural PDE, due to the coupling of multiple token distributions through the attention mechanism. Our mean-field model features two types of measure representations: token distributions evolving through layers and attention parameters at each layer. We establish well-posedness of the forward pass through infinitely deep transformers, characterizing token evolution via flow maps that satisfy ODEs in function spaces. Using adjoint sensitivity analysis, we derive an explicit formula for the conditional Wasserstein gradient of the training risk, involving adjoint variables governed by backward ODEs. We prove the existence and uniqueness of gradient flow curves in the conditional Wasserstein metric space, establishing a rigorous foundation for gradient-based transformer training. A key technical contribution is providing necessary and sufficient conditions for injectivity of the Neural Tangent Kernel (NTK) for attention mechanisms: we show that NTK injectivity is equivalent to linear independence of log-sum-exp functions modulo affine functions, a condition satisfied by diverse token distributions, including discrete distributions, uniform distributions, and Gaussian mixtures. Under this NTK injectivity assumption, we prove that gradient flow converges to global minima when the initial loss is sufficiently small, eliminating spurious local minima from the optimization landscape.
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All authors Raphaël Barboni, Maarten V. de Hoop, Takashi Furuya, Gabriel Peyré

Statistical Methodology

Starshaped Mean Residual Life Models for Non-Monotonic Survival Data: A Bayesian PMRL Regression Framework with Applications to Teacher Retention

We develop a Starshaped Mean Residual Life (SMEL) framework for survival data with non-monotonic hazard patterns, where early-stage attrition is followed by mid-career stabilization. Unlike Cox proportional hazards models or standard mean residual life models requiring monotonicity, SMEL accommodates complex temporal dynamics by requiring only that $m(t)/t$ be nondecreasing, formalizing the transition from vulnerability to equilibrium. We extend SMEL to regression settings via proportional mean residual life (PMRL) models, $m(t\mid Z)=m_0(t)\exp(Z^\top\gamma)$, with adaptive Bayesian estimation using three-parameter Weibull–resilience distributions and the No-U-Turn Sampler. Monte Carlo simulations across 48,000 datasets show SMEL-PMRL maintains bias $\leq 0.02$ under 40% right-censoring, reduces integrated Brier score by 19% over Cox models ($2.34$ vs.\ $2.88\times10^{-2}$), and achieves 5.4% AIC improvement. Joint longitudinal-survival extensions via shared frailty enable simultaneous modeling of correlated time-to-event and continuous outcomes. Application to 169 rural STEM teachers (2018–2023, NSF Noyce) confirms starshaped equilibrium ($\Lambda=12.47$, $p=0.002$), with 38% early-career tenure decline (years 1–3). The joint model ($\hat{\theta}=0.41$, 95% CI: $[0.35,\,0.47]$) shows persistence beyond year~3 yields 31-point cumulative achievement gains (0.56~SD) over four years. SMEL-PMRL offers a flexible, theoretically grounded alternative to proportional hazards for workforce dynamics and high-attrition settings where equilibrium processes govern long-term stability.
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Statistical Methodology · Cross-listed from math.FA

Ordered POVMs and Residual Collapse

Ordered realizations of discrete POVMs are studied through a residual transform generated by sequential tests. One application of the transform replaces each coordinate by the effect obtained after all earlier tests have failed, and appends the remaining mass as a terminal outcome. Under natural hypotheses, iterating the transform produces a collapsed POVM whose non-escape coordinates are the parts of the original effects that survive all earlier tests. The resulting collapse map gives an equivalence relation on ordered POVM realizations. Its range and fibers are characterized. The range consists of collapsed POVMs, whose non-escape coordinates are mutually orthogonal and whose support projections strongly sum to the identity. The fiber over a collapsed POVM consists of all ordered realizations with the same residually visible compressions. In particular, different ordered realizations, including ones with different off-diagonal coupling data, can have the same collapsed image. After collapse, the non-escape coordinates are fixed under further residual iteration. The remaining dynamics takes place in the escape effect, which is fragmented by a universal scalar functional calculus.
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Statistical Methodology

Modelling pairs of Poissons and binomials with negative correlation

Suppose $f_1(x)$ and $f_2(y)$ are given marginals for pairs $(x,y)$. I consider the construction $f_1(x)f_2(y)\{ 1+\alpha h_1(x)h_2(y) \}$, where $h_1$ and $h_2$ are seen as bounded adjustment functions, normalised to have means zero under $f_1$ and $f_2$. This defines a bivariate distribution for $(X,Y)$ with the specified marginal densities $f_1$ and $f_2$, with an interval of permissible values of $\alpha$, both positive and negative; in particular, independence corresponds to an innter point in the adjustments parameter region. Applications to bivariate Poisson distributions, allowing both positive and negative correlation, are discussed. As illustration I provide a more accurate and extended analysis of a Poisson pairs dataset, pertaining to competing seeds and plants, for $n=958$ plots of soil, earlier analysed in the well-cited paper Lakshminarayana, Pandit, Rao, Srinivasa (1999). The general apparatus is also shown to work for negatively correlated binomials. Those methods are illustrated in a meta-analysis framework for two-by-two tables across different studies, pertaining to the Audit-C screening questionnaire for alcohol use disorders, where again negative correlation is demonstrated, between $X$, the number of correct `yes', and $Y$, the number of correct `no'.
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Statistical Methodology

Controlling False Discovery in Arbitrarily Structured Hypothesis Spaces via Reproducing Kernels

Large-scale hypothesis testing is central to modern science, where controlling the False Discovery Rate (FDR) has become the standard approach to managing false positives across many simultaneous tests. Hypotheses rarely exist in isolation; they often exhibit structure through proximity, connectivity, or hierarchy. This structure represents both a challenge and an opportunity: while classical methods treat these dependencies as obstacles requiring conservative correction, leveraging them can substantially increase discovery power. Here, we reframe structured FDR control as a regularized learning problem. By optimizing within a suitable Reproducing Kernel Hilbert Space (RKHS), we introduce a framework that unifies continuous domains, graphs, and hierarchies under a single algorithm through kernel choice alone. This formulation enables smooth solutions in place of the piecewise-constant fits of prior methods, principled likelihood-based hyperparameter selection rather than heuristic tuning, and inference at unobserved locations which in turn supports sample-efficient experimental design. Building on this estimator, we provide two decision rules which we prove to control the FDR. We validate our method on two sources: spatial locations derived from high-dimensional real-world datasets, and a differential gene expression task utilizing protein-protein interaction graphs.
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Statistics Applications · Cross-listed from physics.data-an

Integrating Bayesian Spectral Deconvolution and Expert Scientific Reasoning for Robust Peak Estimation

Spectral deconvolution is essential for extracting peak structures that encode material properties and chemical structures, but conventional automated methods often fail when spectra contain high-intensity noise or unknown background components. In practice, scientists rarely interpret spectra in isolation. Instead, they identify physically meaningful peaks by relating spectral structures to auxiliary information such as physical-property values, chemical structures, and trends across related measurements. Here, we propose a Bayesian framework that integrates spectral deconvolution with a model of expert scientific reasoning. In this work, expert scientific reasoning refers to the practice of evaluating candidate spectral structures by their consistency with independently measured physical-property values, rather than to manual expert intervention during inference. We formalize this reasoning as a physical-property regression layer, implemented using Gaussian process regression, and couple it with Bayesian spectral deconvolution. By averaging the physical-property likelihood over posterior predictive spectra inferred from Bayesian spectral deconvolution, the proposed method selects spectral models according to the consistency between inferred spectral structures and physical-property information. We validate the framework using synthetic spectra with high-intensity noise or unknown backgrounds and infrared spectra of poly(lactic acid). The method recovers physically meaningful peak structures that conventional Bayesian spectral deconvolution misses or misidentifies from spectra alone, including weak peaks in poly(lactic acid) IR spectra related to measured degradation rates. These results demonstrate that integrating expert scientific reasoning with Bayesian spectral deconvolution enables robust peak estimation under conditions where spectrum-only inference is unreliable.
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All authors Hayato Okubo, Yoshifumi Amamoto, Toshimitsu Aritake, Hiroyuki Kumazoe, Shiryu Nakano, Evan Jamison, Satoshi Tanaka, Yoh-ichi Mototake

Statistics Theory

Multivariate EDF tests for uniformity, normality,spherical and elliptical symetry, and independence based on a Brownian sheet deconstruction

This paper extends a recently proposed family of EDF-based goodness-of-fit procedures for the hypercube $[0,1]^p$ - the m-test and the s-test - which are based on a unique deconstruction of the $p$-parameter Brownian sheet into independent Gaussian processes. We use the fact that whenever a null hypothesis implies a joint distribution that factorizes into independent continuous components after a suitable mapping, the problem can be reduced to a uniformity test on the hypercube via componentwise probability integral transforms. Specifically, we introduce and analyze new procedures derived from these principles for testing uniformity on the hypersphere $S^p$, as well as multivariate normality, spherical and elliptical symmetry, and independence in $R^p$. The methodology is based on the decomposition of finite signed measures into zero-marginal components to isolate coordinate interactions. Empirical power comparisons show that these extended procedures are highly competitive with existing methods in the statistical literature, demonstrating particular sensitivity to coordinate-based dependencies and joint dependency structures.
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Statistics Theory · Cross-listed from cs.DS

Module Lattice Security (Part III): Structured CVP Distance on the Log-Unit Lattice

We prove that the $L^2$ CVP distance from a random short ring element to the log-unit lattice of $\Q(\zeta_{2^k})$ converges to $\frac{\pi}{2\sqrt{6}}\sqrt{n}$ as $n=2^{k-1}\to\infty$. We then show that this target lies inside the Voronoi cell of the origin for $k\ge 4$. For the $L^\infty$ norm, the maximum over $n$ sub-Gaussian coordinates yields $O(\sqrt{\log n})$ which translates into a sub-polynomial approximation factor for the Short Generator Problem. We show a Coarse Lattice Theorem that Babai's algorithm returns zero for all structured targets, yet exactly recovers unit perturbations of arbitrary size. For module determinant ideals, we further prove the Trigamma Theorem that proves an intrinsic imbalance $\sigma_{g_0}=O(1)$ independent of the modulus $q$. Finally, combined with Parts I and II, we reduce the CDPR factor for ML-KEM from $\exp(\tO(\sqrt{n}))$ to a sub-polynomial value.
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Machine Learning (Statistics) · Cross-listed from cs.LG

Calibeating for general proper losses: A Bregman divergence approach

This work introduces a general framework for calibeating based on regret minimization. As compared to Foster and Hart's seminal calibeating work which had specialized treatments of Brier score (squared loss) and log loss, we consider a large family of proper losses that includes $\alpha$-Tsallis losses (for $\alpha \in [1, 2]$) and Lipschitz losses. Our results for Tsallis losses also hold for an unscaled version of Tsallis loss that recovers log loss. Our analysis is oriented around the Bregman divergence view of a proper loss. Technically, our results for the family of Tsallis losses that we consider are U-calibration results, simultaneously obtaining logarithmic regret for all losses in this family while having a weaker dependence on the dimension compared to previous results. Of potential independent interest, we also show a new regret equality for the regret of Be The Regularized Leader. This regret equality holds for general proper losses and itself is based on two results related to online updating formulas for the generalized variance, the latter being a previously introduced generalization of variance based on Bregman divergences.
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Statistical Methodology

The FORSS Framework for Sample Size and Power Calculations With Win Statistics for Hierarchical Endpoints

Win statistics have gained increasing popularity as primary analysis methods for clinical trials with hierarchical endpoints (HEs) as primary endpoints. However, existing sample size and power calculation approaches in trial design still face several limitations and challenges: simulation-based approaches are computationally intensive, while existing formula-based methods often rely on simplifying assumptions such as independence among HEs, or require specification of overall win statistics and tie probability that are difficult to elicit a priori in practice. To address these challenges, we propose the FORSS framework, a FORmula-based Super-Sample approach that allows investigators to specify marginal treatment effects using familiar metrics (e.g., hazard ratios, mean differences, and risk differences) together with a flexible joint working distribution for the HEs. Rather than repeatedly simulating full trials at each candidate sample size, FORSS uses super-samples to estimate the population-level plug-in quantities required by analytical formulas for both power and sample size calculation. We evaluated the performance of the proposed FORSS through extensive simulation studies. The results show that the formula-based FORSS closely matches empirical power across a wide range of scenarios while maintaining Type~I error rates near the nominal 5% level. An illustration based on the HEART-FID trial further shows that endpoint-dependence specifications can materially affect projected power and required sample size when planning trials with HEs.
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All authors Baoshan Zhang, Huiman X. Barnhart, Yuan Wu, Roland A. Matsouaka

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

Learning in Position-Aware Multinomial Logit Bandits: From Multiplicative to General Position Effects

We study the dynamic joint assortment selection and positioning problem, where the attraction of each product depends on both its intrinsic appeal and its display position under a Multinomial Logit (MNL) choice framework. Our study ranges from the multiplicative position effects model, in which each product's attraction is scaled by a position-specific factor, to a general position effects model assigning independent attraction parameters to every product–position pair to capture heterogeneous synergies. For both models, we design round-based learning algorithms that update decisions after every single feedback, and establish the first regret-optimal characterization. Besides, our round-based algorithms provide the prompt operations needed by modern platforms. For the multiplicative model, we develop a cross-position pairwise maximum likelihood estimator with a clipping mechanism, and prove that our algorithm P2MLE-UCB attains a regret of $\tilde{O}(\sqrt{NT})$, matching the lower bound and closing the $\sqrt{K}$ gap left by prior epoch-based analyses. For the general model, we establish a minimax lower bound and propose GP2-UCB with a matching upper bound. Moreover, we design an efficient subroutine for the per-round joint assortment and positioning optimization based on Dinkelbach's method and maximum-weight bipartite matching. Numerical experiments on synthetic data and the Expedia dataset show that our algorithms consistently outperform state-of-the-art benchmarks.
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All authors Xi Chen, Shibo Dai, Jiameng Lyu, Yuan Zhou

Statistics Theory · Cross-listed from cs.LG

Vocabulary-size-independent Convergence of Discrete Diffusion Models: adjoint equations induce the right space

Discrete diffusion has become a leading framework for generative modeling in various applications including language, vision, and biology. Existing convergence theory, however, exhibits fundamental limitations. KL-based analyses diverge under singular priors such as the masked distribution, while bounds in total variation (TV) depend on the vocabulary size $S$ and become vacuous for modern language tasks, where vocabularies contain hundreds of thousands of tokens. We develop a unified adjoint-equation-based framework that establishes vocabulary-size-independent convergence guarantees in any integral probability metric (IPM). To the best of our knowledge, our bounds are the first to be entirely free of $S$ and applicable to both masked and uniform priors. Importantly, our results can extend existing step complexity guarantees to any IPM. Also, our theory relies only on a single standard rate-matrix regularity assumption and applies to general priors. Five novel techniques drive our improvements: 1. working in the space of observables via adjoint equations rather than directly with probability measures; 2. a regularity analysis that yields bounds on any IPM; 3. a coupling argument that removes $S$-dependence under uniform transitions; and 4. score-marginal cancellation and 5. exit-routing techniques that remove $S$-dependence under masked transitions. Our framework thus sharply departs from prior analyses and avoids the shortcomings of pathspace-KL and existing TV-based approaches. Beyond convergence bounds, our framework provides a versatile toolkit for further theoretical study of discrete diffusion models, including principled choices of loss functions and vocabulary-size-independent step complexity.
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All authors Kelvin Kan, Xingjian Li, Benjamin J. Zhang, Tuhin Sahai, Stanley Osher, Markos A. Katsoulakis

Saturday 16 May

Statistics Applications · Cross-listed from econ.EM

Valuing Winners: When and How to Correct for Selection Bias in Randomized Experiments

Decision-makers often deploy the best-performing treatment from a randomized experiment, creating a winner's curse: selection favors treatments whose observed outcomes are high partly because of statistical noise, so the naïve estimate of the winner is upward biased. We distinguish two forms of winner's curse, bias relative to the true best treatment (global) and bias relative to the selected treatment's true mean (selective), and link them to regret from deploying a suboptimal treatment. This framework defines seven decision-relevant evaluation targets: mean bias, mean squared error, and confidence interval coverage for the global and selective winner's curse, and mean regret. We then show that methods that perform well on one target can perform poorly on others, so corrections should be matched to the manager's objective. Across simulations with varying effect sizes, multiple-arm settings, and data calibrated to an online A/B testing platform, no method dominates uniformly: the plug-in estimator performs best when treatment differences are large, cross-fitting performs best when treatments are similar, and resampling methods often achieve low mean squared error for moderate differences. We also introduce an adaptive empirical likelihood procedure that delivers asymptotically valid confidence intervals across settings without the tuning sensitivity of resampling-based methods.
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Machine Learning (Statistics)

Sample-efficient inductive matrix completion with noise and inexact side-information

Inductive matrix completion (IMC) is a variant of low-rank matrix completion that incorporates row and column side-information. In principle, it can reduce the effective dimension of the recovery problem from the ambient matrix size to the dimension of the side-information features. Existing theory, however, does not fully realize this advantage in the noisy setting: sample-efficient guarantees only apply to noiseless recovery, while noisy guarantees require sample sizes comparable to ordinary matrix completion. This paper closes this gap for noisy IMC. We analyze a nonconvex projected gradient descent algorithm with spectral initialization and prove that, under exact side-information, it achieves linear convergence and stable recovery at a sample complexity governed by the effective side-information dimension rather than the ambient matrix dimension. The key technical ingredient is a local regularity condition for the IMC loss that holds at this reduced sample size, despite the mismatch between the observation pattern and the side-information subspaces. We further extend the analysis to inexact side-information, showing that the same reduced sample complexity is preserved and that the estimation error degrades optimally with the level of subspace misspecification. Motivated by this trade-off, we also propose a penalized interpolation between IMC and ordinary matrix completion that balances sample efficiency against robustness to imperfect side-information. Simulations and experiments on the MovieLens dataset support the theoretical findings and illustrate the practical benefits of exploiting side-information in low-sample regimes.
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Statistical Computation · Cross-listed from math.NA

Operator splitting for exploiting linear-rate closure in solving infinite ODE hierarchies

We introduce an operator-splitting method for infinite hierarchies of linear ordinary differential equations (ODEs) indexed by nonnegative integers. When the coupling coefficients depend linearly on the count index, an exact transformation closes the equations on finite count-index windows without an upper-boundary value. For more general hierarchies, Strang splitting applies the linear-rate closure during the linear-rate substeps and a conventional capped solver to the remainder. We derive the closure from generating functions and the method of characteristics and extend it to multi-indexed systems. The derivation requires neither positivity nor mass conservation, so it applies to a wider class of systems than the examplar stochastic models presented here. We discuss branching processes, stochastic predator-prey dynamics, the Schlögl chemical kinetics model, and a telegraph model for gene expression. Through numerical experiments and computational cost analyses we demonstrate that our operator splitting method is typically advantageous for solving large scale systems in terms of memory usage and computational time, while retaining accuracy competitive with finite state projection (FSP) methods.
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Machine Learning (Statistics) · Cross-listed from cs.LG

The Geometry of Projection Heads: Conditioning, Invariance, and Collapse

We develop a geometric theory of projection heads in self-supervised learning by modeling the head as a trainable Riemannian metric on the backbone representation manifold. We show that linear heads perform implicit subspace whitening, while nonlinear heads adapt local metrics to satisfy the specific topological constraints of the loss, with head depth empirically dictating this capacity. Analyzing dimensional collapse, we prove that smooth nonlinear heads natively induce negative eigenvalues in the Hessian at collapsed equilibria, making them unstable. We empirically validate this by continuously tracking the optimization geometry during training, which reveals that smooth activations like Swish can generate explicit negative curvature to escape collapse, whereas linear and ReLU heads under continuous-time gradient flow cannot, relying instead on discrete-time optimization dynamics and BatchNorm. Finally, we geometrically characterize how metric degeneracy governs the information-invariance trade-off, explaining why the head must be discarded. Evaluated across contrastive and decorrelation-based objectives on foundation models, our results demonstrate that the projection head acts as a universal geometric buffer, decoupling the semantic backbone from the rigid, destructive constraints of the pretraining objective.
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