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Statistical Methodology

Interactive and Robust PCA Graphics with FSDA in MATLAB

Principal Component Analysis (PCA) is a standard method for dimension reduction and the exploratory analysis of multivariate data, but a complete applied workflow often requires more than numerical eigenvectors and static plots. This article documents a set of routines in the FSDA toolbox for MATLAB that implements an integrated workflow for interactive and robust PCA graphics. The software contribution consists of coordinating classical SVD-based PCA, dynamic biplot scaling controlled by row and column parameters, score-distance and orthogonal-distance diagnostics, hard-trimming robust PCA through the Minimum Covariance Determinant and the Forward Search, linked brushing, geographical displays, and three-dimensional projection diagnostics. The implementation returns reproducible numerical output while also exposing graphical controls for changing biplot geometry, confidence regions, displayed labels, robust trimming levels, and linked selections. The methodology is illustrated on quality-of-life indicators for Italian provinces, where the software reveals variable groups, atypical provinces, robust and non-robust PCA structures, and geographical patterns. The emphasis is on statistical software: no new PCA estimator is proposed, but established PCA and robust-PCA methodology is combined in a documented, extensible, and script-reproducible MATLAB environment.
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All authors Marco Riani, Anthony C. Atkinson, Aldo Corbellini, Domenico Perrotta, Francesca Torti, Gianluca Morelli

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

Neural Wasserstein Splines: Representation-Invariant Second-Order Priors for Trajectory Inference

Population dynamics are often observed only as unpaired snapshots, which leave the evolution between measurements underdetermined. Second-order regularization can constrain it, but a penalty on the accelerations of sampled particles is a prior on joint particle paths, and different particle representations of the same marginal curve can have different acceleration costs. We therefore introduce Neural Wasserstein Splines (NWSP), a sample-based method that learns a continuous population curve under a Wasserstein smoothness prior. A neural network maps latent variables to the control points of a cubic spline in time, so samples at any time come from the spline basis without numerical integration. We project the generator's velocity onto gradients of a finite dictionary of scalar potentials and differentiate this measure-dependent projection in time, obtaining a finite-dimensional surrogate for the intrinsic Wasserstein acceleration, trained jointly with distributional fit losses. For a fixed dictionary and ridge parameter, we prove that the population penalty depends only on the marginal curve and bound its sensitivity to moment-estimation errors. Learned potentials (NWSP-N) sharpen acceleration estimates. On various synthetic and single-cell benchmarks, NWSP is highly competitive with transport and flow-based methods, ranking in the top two in 11 of 16 settings. The penalty improves on an unregularized spline in 13 of 16 settings and, while competitive with a particle-acceleration penalty, adds provable representation invariance.
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Statistical Methodology

Principal Component Analysis for Zero-Inflated Probability Measures via Lorenz Curves

This paper develops a principal component analysis framework for probability measures associated with non-negative real-valued random variables with structural zeros. Specifically, leveraging the associated Lorenz Curve (LC) and a suitable perspective transformation of the plane, a bijective embedding is defined to treat such measures as functional data in a Hilbert space. Once the random LC is embedded in this space, standard Functional Principal Component Analysis (FPCA) becomes directly applicable, and the diffeomorphic nature of the embedding allows the main convergence results and their interpretations to be transferred back to the original space of LC. The a.s. and $L^2(\mathbb{P})$ consistency of the estimated eigenfunctions, eigenvalues, and modes of variation is subsequently investigated, both in the embedded space and, by virtue of the embedding's diffeomorphism property, in the original LC space. Crucially, this consistency analysis accounts for the double stochasticity of the estimation problem: one level of randomness is tied to the underlying LC process itself, while the other stems from the empirical estimation of the LC from sample data. As a consequence, consistency of the Karhunen–Loève reconstructions is also established, guaranteeing faithful approximation of individual curves in both spaces. Finally, the proposed FPCA methodology is illustrated on a real-world dataset of global export flows and compared with a naive FPCA approach.
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Machine Learning (Statistics)

On the Optimisation Landscape of Overparameterised Weighted MMD

We study the optimisation landscape of the maximum mean discrepancy (MMD) over weighted atomic measures. For the one-dimensional Gaussian kernel, we show that, for any compactly supported target distribution, sufficiently many particles ensure that every local minimum has arbitrarily small MMD. Moreover, any stationary point whose MMD remains bounded away from zero is unstable under an unweighted gradient flow over the particle locations. These results hold both when the weights are constrained to the simplex, and when they are unconstrained but optimised at each step. When the target is itself finitely supported, we further strengthen this result: beyond an explicit particle threshold, there are no spurious local minima, and every spurious stationary point is unstable. To our knowledge, these are the first finite-particle overparameterisation guarantees of their kind for weighted MMD optimisation.
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Machine Learning (Statistics)

Text-Informed Training Data Filtering for Enhanced Virtual Flow Meter Performance

In sectors such as energy, aquaculture and chemical processing, the effectiveness of both mechanistic and data-driven models is frequently limited by poor-quality training data, which obscures underlying physical laws and degrades predictive accuracy. Such quality issues commonly manifest as anomalies in the dataset, ranging from sensor faults to process upsets and incorrect operator inputs. While traditional rule-based filtering can remove a subset of the anomalies, it is unable to leverage contextual information stored as unstructured text, such as engineer comments and operational logs that explain under what conditions the data was collected. We propose a text-informed data filtering method that leverages large language models (LLMs) to integrate unstructured operational data with tabular sensor data. The method consists of two steps: (1) contextual anomaly detection by reasoning over both data modalities, and (2) generation of a binary mask that is applied to filter the training dataset for model development. To investigate the potential benefit, a steady-state soft-sensor regression model, namely a virtual flow meter that estimates well flow rates, is used as the downstream evaluation target. Experiments on a synthetic oil and gas dataset show improved model performance compared to traditional rule-based filtering. Ablation studies show that textual operator comments can provide filtering-relevant signals beyond sensor data alone, with the multimodal approach reducing downstream MAPE from 7.1% to 5.4% relative to sensor-only filtering. This work demonstrates that integrating unstructured operational knowledge with sensor data through LLMs can improve data quality for industrial machine learning applications, offering a scalable alternative to manual data curation.
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All authors Kristoffer Hjelmen Nesland, Bjarne Grimstad, Antorweep Chakravorty, Dan Sui

Machine Learning (Statistics)

Calibration and Risk-Budgeted Decisions with System One Models

LLM workflows and agents rely on a set of binary decisions like allow/block an input, or discard/retain a retrieved document. When human deferral is unavailable, uncertain cases must still receive an action. We study System One decision scores in this setting by defaulting to a conservative fallback when uncertain, and controlling the false omission risk within the subset of inputs assigned the utility-maximizing action. Across six datasets covering moderation, safety, and reranking, we compare general System One models with task baselines and a local open-weights fine-tuned System One model. We show that naive baselines for threshold selection exceed the target risk in roughly half of settings with defined test risk, compared with 7.8% for Learn Then Test (LTT), which leverages finite-sample statistical guarantees. Our results show why relying on a probability-like interface is insufficient for deployment decisions and how risk-budgeted selection trades useful action against observed error.
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Machine Learning (Statistics) · Cross-listed from cs.LG

Efficient contextual partial monitoring with general function approximation

We study finite stochastic partial monitoring (PM) games with side information, a paradigm of sequential learning with partial feedback. On each round $t \in [T]$, both player and environment observe a context and player chooses an action and environment simultaneously chooses an outcome. The player neither observes the outcome nor the loss; instead, they only observe a feedback symbol which is partially informative about the outcome. We utilize the Estimation-to-Decisions (E2D) meta-algorithm of Foster et al.(2021) to design E2D.PMSide, a computationally efficient framework for contextual partial monitoring, which uses an online regression oracle to efficiently estimate the outcome distributions based on historical (context, action, feedback symbol) tuples. Since the exploration rule given by the original E2D algorithm is intractable to compute, we propose two computationally efficient exploration rules that achieve optimal regret orders in $T$: in the globally observable setting, our exploration rule is based on $\epsilon$-greedy, while in the locally observable setting, our exploration rule uses inverse gap weighting (Foster & Rakhlin, 2020), which was previously only known to be effective in the bandit setting. We show that a variant of E2D.PMSide named OE2D.PMSide can be combined with offline regression oracles to give an efficient algorithm with optimal regret when the contexts are drawn independently from a fixed distribution. We evaluate our algorithm on a synthetic label-efficient prediction game and an LLM routing task, in which a learner decides from prompt, uncertainty, and internal state features whether to escalate a query from a weak model to a strong one. We show that our method has superior performance to prior approaches.
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All authors Kapilan Balagopalan, Hao Qin, Kwang-Sung Jun, Chicheng Zhang

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

Asymptotically Exact Negative Guidance of Diffusion Models via Positive-Unlabeled Learning

Negative guidance of diffusion models generates samples that avoid an undesired condition, specified either by reference samples or by a conditional score alongside an unconditional model. Existing methods inject repulsive terms derived from local information at each sample, so the resulting sampler does not target an explicit density, and its bias cannot be systematically reduced by increasing computation. We instead present a negative-guidance method that samples from an explicit target density, which uniformly handles both reference-sample and score-based specifications and suppresses probability mass near the undesired condition with an avoidance strength that parametrizes the target density itself. Realizing this target requires estimating, at each diffusion timestep, how likely each sample is to belong to the undesired condition. We cast this estimation as a Positive-Unlabeled learning problem that admits lightweight online training along the diffusion trajectory, using condition samples as positives and diffusion particles as unlabeled data. Because the guided particles drift from the unconditional marginal, we further correct the residual mismatch via Sequential Monte Carlo, yielding a sampler that is asymptotically exact in the particle limit and that turns any existing negative-guidance method into its proposal kernel. Empirically, our method approaches the ground-truth target on Gaussian mixtures and Pareto-dominates existing methods on trade-offs between avoidance and generation quality, distributional bias, and diversity, including in an image-generation setting with a pretrained score network.
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Machine Learning (Statistics)

SNACK: A Sequential Notation Framework for Probabilistic Graph Generation

We introduce SNACK, a string representation for probabilistic graph generation that enables sequence models to generate and model graphs with discrete node and edge features. SNACK linearizes graphs by encoding the nonzero entries of the lower-triangular adjacency matrix, establishing a bijective correspondence between valid sequences and ordered adjacency matrices. This design enables invalid logit masking to enforce structural constraints–such as chemical valence and ordering rules–guaranteeing 100% valid generated sequences. SNACK also enables principled string-based GFlowNet training by explicitly accounting for node-ordering symmetries. Across standard graph-generation tasks and molecular distribution-learning benchmarks, SNACK achieves competitive sample quality, while substantially improving the throughput of GFlowNet training relative to graph-based generation. Probing analyses further show that models trained on SNACK encode meaningful local and global graph structure despite receiving only sequential supervision. These results position SNACK as a practical framework for probabilistic graph generation with deep sequence models.
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All authors Hohyun Kim, Hyesung Kim, Min-hwan Oh, Seunggeun Lee

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

From Global to Tail Convergence: Dynamics of $\alpha$-Stable Score-Based Generative Models

Score-based generative models driven by $\alpha$-stable Lévy processes have been proposed as an alternative to Brownian diffusion models, with empirical evidence suggesting improved sampling and better modeling of heavy-tailed data. Yet theoretical guarantees for these models remain limited. We develop a non-asymptotic convergence analysis for scale-preserving $\alpha$-stable generative dynamics, covering both compactly supported and power-law targets. In p-Wasserstein distance, we quantify the effects of early stopping, initialization, score approximation, and time discretization, and show exponential decay of the initialization error. A comparison with Brownian dynamics reveals that global Wasserstein convergence alone does not fundamentally distinguish the two models: both initialization errors decay exponentially with the forward horizon on the common class of heavy-tailed targets. A sharp separation emerges instead in the tails. At any positive generation time, stable dynamics produces power-law tails with index $\alpha$, whereas Brownian dynamics remains light-tailed. For a target with tail index $\nu$, asymptotically correct extreme-quantile scaling is possible precisely when $\alpha$=$\nu$. These results identify tail-index matching as a principled mechanism behind the ability of stable generative models to capture extreme events.
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Statistical Methodology

Generalized Odds for Ordinal Outcomes: A Causal Inference Framework Adjusting for Covariates

Background: Generalized Odds (Gen Odds) provide summaries for ordinal outcomes without requiring the proportional odds assumption. However, conventional Gen Odds compares independently drawn treatment and control outcomes and targets a population-level contrast rather than an individual-level contrast. We developed an individual-level causal formulation of Gen Odds and examined its identification. Methods: We defined the Causal Gen Odds using the joint distribution of potential outcomes and identified it under conditional independence of the potential outcomes given baseline covariates. We developed a model-based estimator using nonproportional cumulative logistic regression and introduced an odds-ratio sensitivity parameter to assess departures from conditional independence. We evaluated the estimators through simulations and illustrated them using data from the ACCORD Study. Results: In simulations, the conditional-independence estimator was approximately unbiased with 95.5% confidence interval coverage under conditional independence, but bias and undercoverage increased with residual dependence. When the sensitivity-analysis estimator incorporated the data-generating dependence parameter, bias remained below 0.01 and coverage ranged from 93.7% to 96.1% across examined settings. In the ACCORD Study, the Causal Gen Odds for right-foot pre-tibial edema was 0.909 (95% CI: 0.880 to 0.940) under conditional independence and remained stable across the examined sensitivity range. Conclusions: The Causal Gen Odds provides an individual-level estimand that complements the conventional population-level Gen Odds. This framework enables estimation of this contrast while explicitly assessing its robustness to assumptions about dependence between potential outcomes.
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All authors Runnian Huang, Dandan Shi, Lan Liu, Yunjian Yin

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

Annealed Lévy Diffusion via Gaussian Surrogate Reverse Dynamics

Gaussian diffusion models offer a practical framework for generative modeling. Denoising Lévy Probabilistic Models (DLPM) introduce heavy-tailed perturbations with a fixed tail index throughout denoising. We introduce Annealed Lévy Diffusion (ALD). ALD varies the stability index $\alpha(t)$ to combine heavy-tailed exploration with Gaussian refinement. Our marginal-first formulation represents stable noise as a scalar Gaussian scale mixture. This formulation enables standard Gaussian noise-prediction training with one additional scale input. We study two sampling processes. ALD-renoise estimates the clean sample and injects fresh marginal noise. ALD-posterior preserves dependence between successive states through an accumulated conditional variance and a Gaussian bridge update. Both samplers reuse the same trained predictor with different scalar inputs. We evaluate ALD on four 2D benchmarks and an imbalanced nine-mode mixture. We also examine training efficiency and the effects of prediction perturbations on clipped Holtsmark data. Additional experiments evaluate MNIST and CelebA64 generation and CIFAR-10LT augmentation. ALD preserves local geometry on the evaluated light-tailed and manifold-structured targets.
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All authors Yuling Jiao, Lican Kang, Jerry Zhijian Yang, Cheng Yuan, Ruizhe Zhang

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

Function-Space Temporal Self-Distillation for Policy Optimization

Reinforcement Learning with Verifiable Rewards (RLVR) improves reasoning in language models, but scalar outcomes provide coarse supervision over response trajectories. Self-distillation offers denser token-level guidance by comparing an unassisted policy with a feedback-informed self-teacher, yet the teacher evolves with the student, creating unstable targets and motivating additional regularization. We introduce Function-Space Policy Optimization (FSPO), a single-policy framework that combines current privileged adaptation with function-space temporal consolidation. FSPO stores sparse historical next-token distributions as fixed temporal targets, providing temporal separation without maintaining a persistent teacher model. It further introduces privileged disagreement correction to explicitly suppress locally overvalued actions, reliability-adaptive grounding that strengthens reference supervision when self-generated evidence repeatedly fails, and quality and coverage-aware temporal memory that retains verified behaviors and improves privileged demonstrations. Across reasoning and tool-use benchmarks, FSPO achieves the highest average accuracy under a 5-hour training budget, improving over the strongest baseline by approximately 4% points on average while reducing peak memory from about 70 GB to 56 GB on Olmo3-7B-Instruct.
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Statistical Computation

SULA: Robust Langevin Sampling via Drift-Diffusion Saturation

The unadjusted Langevin algorithm (ULA) and its stochastic-gradient variant, SGLD, are workhorses of modern Bayesian machine learning, but can be fragile when faced with a target distribution possessing a non-Lipschitz drift. In such settings, the expected squared jump distance can grow rapidly, leading to numerical instability or the need for prohibitively small step-sizes. We propose the saturated unadjusted Langevin algorithm (SULA) that pairs a saturated gradient drift with a gradient-informed state-dependent diffusion, while preserving first-order consistency with the Langevin diffusion. The drift and diffusion terms are chosen to guarantee that the one-step squared update is independent of the gradient. Consequently, SULA is robust to the choice of step-size and preserves estimation and prediction quality. We provide sufficient conditions under which SULA with a step-size $h$ converges weakly to the Langevin diffusion at the standard $O(h)$ rate, the SULA chain is geometrically ergodic, and that the bias of its invariant measure relative to the target is $O(h)$. Further, we develop SG-SULA, a stochastic-gradient version of SULA that rescales the stochastic gradient using a Gaussian CDF correction under Gaussianity of the gradient noise. Numerical experiments on various examples demonstrate SULA's robustness to tuning and SG-SULA's improved predictive performance.
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Statistics Theory · Cross-listed from math.AG

Maximum Likelihood Degrees via One-Edge Chordal Completion

The maximum likelihood degree of a Gaussian graphical model measures the algebraic complexity of its likelihood equations. This paper studies maximum likelihood degrees of Gaussian graphical models through chordal completion. When a graph becomes chordal after one missing edge is added, its maximum likelihood degree is determined by the maximal cliques and clique-tree separators containing that edge. This recovers Uhler's formula for complete bipartite graphs with one part of size two, and extends it to deleted-spine clique books, whose degree is unchanged when a page is thickened to a clique. For several fill edges, the same method gives a product formula when no clique or separator bag contains two fill edges. We also determine four classes of vertices at which clique blow-up preserves the degree. Two follow from known results, and two are established here.
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Machine Learning (Statistics) · Cross-listed from cs.LG

On Global Joint Lower Bounds in Zeroth-Order Nonconvex Optimization

Recent work has sought to transfer first-order nonconvex optimization guarantees to zeroth-order methods through gradient estimators, typically incurring a factor linear in $d$. \citet{kornowski2024} obtained an $\mathcal{O}(d\delta^{-1}\epsilon^{-3})$ oracle complexity for nonsmooth nonconvex optimization and asked whether its dependence on all three parameters is jointly optimal. Although the dimension dependence and the first-order dependence on $(\delta,\epsilon)$ are separately known to be unavoidable, a matching zeroth-order lower bound has remained open. We answer this question in the unrestricted full-space setting. For smooth stochastic nonconvex optimization, we establish a scalar-oracle lower bound of $\Omega\!\left(dL_0^2\min\{\Delta H,L_0^2\}/\epsilon^4\right)$ assuming a smooth, globally lower-bounded population objective and a second-moment bound on sample Lipschitz constants. A smooth reduction then yields a lower bound for Goldstein stationarity, proving the joint minimax optimality of the dependence on $(d,\delta,\epsilon)$ under explicit high-dimensional and small-accuracy conditions. Crucially, our results allow algorithms to query arbitrary points in $\mathbb{R}^d$, adaptively select sample-function labels, reuse the same sampled function at any number of locations, and output points without spatial restrictions. Thus, unlike lower bounds based on bounded query regions or fresh evaluation noise, our guarantees apply to a fully adaptive, reusable-sample scalar oracle. We also establish a separate noiseless exact-value lower bound against randomized algorithms, and hence also against deterministic methods. Our proof combines a globally defined sequential nonconvex construction with an exact Gaussian scalar channel, multistage random-field estimates, and an antithetic finite-sample realization that preserves information hardness under adaptive reuse.
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Statistical Methodology

Model-Induced Hazard Geometry and Functional Representations in Survival Analysis

Individualized survival predictions are often summarized by scalar risk scores or event probabilities at selected time horizons, although clinically relevant risk may also differ in its temporal organization. We consider finite-dimensional representations of individual hazard trajectories through interpretable hazard functionals, such as peak timing, cumulative hazard over prespecified intervals, and persistence of elevated risk. A central issue is that the richness of such representations is constrained by the hazard geometry supported by the underlying survival model. We formalize this through model-induced tangent spaces and functional ranks, derive an exact decomposition of model-supported variation into directions retained and lost by a chosen representation, and introduce a model-relative notion of local completeness. We further distinguish intrinsic model capacity from the variation actually activated by covariates. These results motivate a structured extension of AFT time scaling through a positive-affine deformation on the log-time scale, yielding a power-warp mechanism with an additional temporal deformation direction. Combined with a log-logistic reference hazard, this gives a parsimonious likelihood-based working specification for which peak timing and peak height provide complete coordinates over the unimodal regime. We also establish plug-in recovery and asymptotic inference for hazard functionals. Simulations and a lung-cancer application illustrate how model-induced restrictions propagate to hazard-functional representations.
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Machine Learning (Statistics)

Risk-Controlled DFT Selection for Machine-Learned Interatomic Potentials

Automated materials discovery requires evaluating large pools of candidate configurations, with density functional theory (DFT) as a major throughput bottleneck. Pretrained machine-learned interatomic potentials (MLIPs) approximate DFT cheaply, but their errors vary by orders of magnitude across configurations, making it difficult to decide when to trust the MLIP predictions and when to fall back to DFT. We frame this decision as a risk-controlled selection problem and solve it within a conformal risk control (CRC) framework. Each configuration is mapped from atomic numbers and Cartesian coordinates to a fixed geometric descriptor, which a lightweight predictor uses to estimate an MLIP-DFT disagreement score in energy, average force, and maximum force. CRC then calibrates this score into a selection threshold for DFT labeling such that the MLIP error on the unselected configurations, which keep their MLIP labels, stays below a user-chosen fraction $\alpha$ of the expected error. Under an identical guarantee across eight dataset-MLIP pairs, our predictor routes 7% and 14% fewer configurations to DFT at $\alpha=0.3$ than committee baselines. Because committee disagreement overlooks errors the MLIPs share, our gains are largest when the DFT labels and MLIP training data differ in DFT functional and basis set, and narrow when the two agree. Without model access, the structure-only predictor also ranks errors as well as the target MLIP's latent representation and outperforms widely used descriptors such as Smooth Overlap of Atomic Positions (SOAP) and Atom-Centered Symmetry Functions (ACSF).
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All authors Kun Ryu, Yeo Jin Jung, Shyue Ping Ong, Claire Donnat, Ying Shirley Meng

Machine Learning (Statistics)

Projected Wasserstein-Fisher-Rao Flows for Hawkes Background-Intensity Estimation

We consider the problem of estimating the background intensity of a Hawkes process when the triggering mechanism is known, treating the background as an unknown finite positive measure with a regular density. We propose a likelihood-based variational approach based on the Wasserstein-Fisher-Rao geometry. In this setting, the relevant first variations are naturally distribution-valued and therefore fall outside the classical gradient-flow formulation. We develop a distributional framework for the resulting dynamics and give them a finite-dimensional meaning through projections onto statistical manifolds. We identify the true background as the unique zero of a limiting generalized gradient and, under suitable stability, compactness, integrability and approximation conditions, establish a conditional consistency theorem for measurable estimators satisfying the empirical projected equations on events whose probabilities tend to one. Finally, we specialize the construction to Gaussian-mixture manifolds and obtain an explicit finite-dimensional scheme.
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Machine Learning (Statistics)

On Inherent Privacy of Posterior Sampling: A Unified Rényi-Divergence Framework

Differential Privacy (DP) provides a rigorous framework for quantifying privacy guarantees. While most methods achieve DP by injecting calibrated random noise, the intrinsic randomness of certain procedures such as sampling can yield DP guarantees “for free”. In this work, we develop a unified Rényi divergence framework to characterize the inherent DP guarantees of sampling from a Bayesian posterior distribution. We show that the privacy loss incurred by One-Posterior-Sampling (OPS) is governed by posterior exponential moments of the single-record log-likelihood ratio, and establish explicit DP guarantees under uniformly bounded, sub-Gaussian, or sub-exponential tail regimes. We apply the framework to representative Bayesian models, including categorical likelihoods with arbitrary priors, Gaussian-Gaussian conjugate pair, generalized linear models from the exponential family and linear regression with Gaussian likelihood, both with Gaussian priors on the regression coefficients. Our results elucidate sample size, model structure, neighboring relations in DP (bounded or unbounded), and how prior if applicable, jointly determine the inherent DP guarantees of OPS. Furthermore, our results recover the existing DP guarantees for OPS as special cases – often with tighter privacy loss bounds – and substantially broaden the class of Bayesian models for which the inherent DP guarantees of OPS can be rigorously characterized.
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Machine Learning (Statistics)

Noisy-Label Calibration with Multiple Unreliable Labels

In medical annotation and crowdsourcing, multiple annotators assign labels to each example, but these labels may be incorrect. Treating such noisy labels as ground truth can bias calibration evaluation. To address this problem, we propose methods for evaluating and recalibrating a fixed binary predictor under the underlying clean-label distribution, using only noisy annotations. First, given annotator-specific noise probabilities, we propose Noise Corrected ECE (NC-ECE), a binned estimator of expected calibration error (ECE) under class-conditional noise. We derive non-asymptotic bounds on the estimator's bias. Then, we propose practical algorithms for estimating unknown noise probabilities under conditional independence and label-orientation assumptions. We also develop loss-based and histogram post-hoc recalibration with clean-risk and calibration guarantees, respectively. Experiments on semi-synthetic benchmarks show that the proposed ECE estimator closely tracks its clean-label oracle counterpart and that the recalibration methods substantially improve latent-label calibration, whereas uncorrected recalibration against noisy annotations can degrade it.
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Machine Learning (Statistics)

High-Probability Regret Bounds for Feel-Good Thompson Sampling

Feel-good Thompson sampling (FGTS) augments the posterior of vanilla Thompson sampling with an exploration term that favors reward functions with high predicted optimal values. This modification achieves minimax-optimal regret up to logarithmic factors in linear contextual bandits, but existing analyses of its two standard variants establish regret guarantees in expectation. In this paper, we derive the first high-probability regret bounds for both cumulative and current-step FGTS in contextual bandits with general realizable function approximation. Our bounds depend on the corresponding decoupling coefficients and the prior mass near the true reward function. In the $d$-dimensional linear setting, both variants satisfy $\mathrm{Regret}(T)=O\big(d\sqrt T\log(2T)+\sqrt T\log(1/\delta)\big)$ with probability at least $1-\delta$, where $T$ is the time horizon. This bound matches the dimension and horizon dependence of algorithms based on the upper confidence bounds, up to logarithmic factors. Relative to the expected-regret guarantees, the cost of controlling the regret with high probability is confined to additive terms with at most linear dependence on $\log(1/\delta)$. The proof ideas are partially developed by GPT-6 Astra under the authors' guidance.
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Machine Learning (Statistics)

State-Matched Sequence Conformal Prediction

Sequential conformal prediction needs to decide which past errors should calibrate uncertainty for the current target. Recency and online error feedback are useful when recent observations remain relevant, but the recent past can be a poor reference when comparable states recur at nonadjacent times, with the recurrence pattern generally unknown. We propose State-Matched Sequence Conformal Prediction (SMSCP), which constructs an explicit one-sided local-linear state from pre-target information, uses state similarity to select a matched reference set of past calibration scores, and then applies the ordinary unweighted conformal order statistic. In contrast to existing approaches, SMSCP uses state similarity to identify calibration observations relevant to the target score quantile. This motivates a theoretical analysis of whether nearby states have comparable target score quantiles under temporal dependence. We establish control of the resulting conformal cutoff and characterize predictive information not captured by the chosen state. Simulations show that state matching is most effective when score-relevant states recur across nonadjacent times, while revealing settings in which its advantage weakens or reverses. Across solar irradiance and bike-demand benchmarks, SMSCP improves interval score over recency, weighted, adaptive, and HopCPT comparators, and achieves coverage closer to the nominal 0.90 level than ResCP on five of six benchmarks.
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Machine Learning (Statistics) · Cross-listed from math.OC

Large-Step Last-Iterate Convergence of Random-Reshuffling Stochastic Gradient Descent

Random reshuffling stochastic gradient descent (RR-SGD) is widely used for finite-sum optimization in machine learning. For convex $L$-smooth components, recent work establishes convergence guarantees for an averaged iterate with component stepsizes as large as order $1/L$. However, the final iterate is a natural output in practice, and existing last-iterate guarantees in this setting require stepsizes that scale inversely with the number of components $n$. We establish an expected objective-gap bound for the last iterate of standard RR-SGD on unconstrained problems with a constant component stepsize satisfying $0<\eta\lesssim 1/(L(1 + \log(nK)))$, where $K$ is the number of epochs. By retaining the sampling bias at random comparison points, we remove the explicit $1/n$ factor from the stepsize restriction. Combined with existing small-step bounds, our result matches the corresponding averaged-iterate convergence rate up to logarithmic factors.
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Statistical Methodology

Common Signals, Spurious Cross-Excitation, and Identification in Multivariate Hawkes Processes

Multivariate Hawkes models are widely used to measure endogenous interactions in event data, but latent common signals can generate apparent excitation even without structural interaction. We characterize the resulting linear projection and construct stable, nonnegative Hawkes processes that share the mean intensity and Bartlett spectrum of common-signal models despite having different excitation mechanisms. This establishes a concrete form of second-order non-identification. We derive integrated third-order cumulants for Hawkes processes with Cox immigration and establish generic local identification of normalized structural parameters in two- and three-dimensional systems. An exact-equivalence Monte Carlo experiment demonstrates how third-order information can distinguish mechanisms with identical second-order structure, while revealing substantial finite-sample limitations under weak signals. For a restricted parametric family, we develop Whittle estimation from binned counts, establish consistency and asymptotic normality under appropriate identification conditions, and construct feasible sandwich standard errors accounting for estimated mean intensities. Simulations assess structural recovery and inference accuracy. An application to cryptocurrency transactions illustrates the sensitivity of inferred excitation to model specification and the limitations of structural interpretation based on spectral fit alone.
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Statistics Theory

Softplus Affine(1, 1) Processes: Enlarged Stationarity Region, Stationary Unit Roots, and Inference

Softplus affine\((1,1)\) models keep the conditional mean positive while allowing coefficients of either sign. We study them under Poisson, negative binomial, gamma and related conditional distributions. A stationary solution with moments of all positive orders exists whenever the coefficient sum is less than one, strictly enlarging previously known sufficient regions. At the unit root, the coefficient sum equals one. Under an invertibility condition, a stationary solution exists in this case if and only if the intercept is negative. At a stationary unit root, the conditional mean has a power-law tail with an explicit index, and the observations can exhibit long memory. For a fixed softplus scale, the Poisson quasi-maximum likelihood estimator is consistent and asymptotically normal at the usual \(\sqrt n\) rate below and at the unit root, with the coefficient sum left unrestricted in estimation. At the unit root, these results require only a finite mean and yield standard Wald inference even when the observations have infinite variance or long memory. Simulations and two applications examine finite-sample inference and sensitivity to the softplus scale.
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Statistical Computation

Analytically Optimal Sample Allocations for Nested Multivariate Multifidelity Control Variate Estimators

Monte Carlo estimation, an essential tool for quantifying uncertainty in complex scientific and engineering applications, often has unacceptably large errors when computing resources are limited and each sample requires evaluating an expensive high-fidelity model. Multifidelity control variate methods seek to increase the accuracy of Monte Carlo estimation by combining a limited number of expensive high-fidelity samples with a larger number of cheaper lower-fidelity samples. Many different multifidelity estimators have been proposed, including multilevel Monte Carlo (MLMC), multifidelity Monte Carlo (MFMC), approximate control variates (ACVs), and multilevel best linear unbiased estimators (MLBLUEs). An important design choice in multifidelity estimation is the allocation of a limited computational budget among the available models to minimize estimator error. The state of the art in solving this budget allocation problem relies on numerical optimization; to date, closed form solutions have only been derived for estimator forms known to be suboptimal. In this work, we provide closed form expressions for optimal fractional sample allocations for a large class of nested multifidelity control variate estimators, in which higher-fidelity models are evaluated on a subset of the inputs that lower-fidelity models are evaluated on. Our analysis is based on reformulating nested MLBLUEs as an extended version of the MFMC estimator, and is applicable to general multivariate Monte Carlo estimation. We additionally propose a new approach for integer-valued budget allocation based on a greedy strategy used in combinatorial optimization, as well as a method for robust approximation of control variate coefficients from limited pilot samples. Two numerical examples illustrate our theoretical results and demonstrate the increased accuracy of our extended MFMC formulation relative to existing estimators.
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Statistics Theory · Cross-listed from cs.LG

Asymptotic Behavior of Transformers

In this paper we study the behavior of transformer networks generating text over long periods of time. We show that even a three-token, single-layer attention-only transformer can fail to converge. We then study a rich class of transformers with arbitrary finite depth, layer normalization, MLPs, RoPE encodings, and an arbitrary mix of local and global layers. Every transformer in this class has a softmax temperature threshold above which its empirical cache distribution converges to a unique limit, independent of initial conditions. We show further that, while each transformer has a temperature threshold, the supremum of this set is infinite, so there is no global minimal temperature that forces all transformers to converge.
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All authors Katy Blumer, Da-Cheng Juan, Jon Kleinberg, Ravi Kumar, Cyrus Rashtchian, Andrew Tomkins

Statistical Methodology

Longitudinal Brain Aging in Covariance Space: Temporally Calibrated Bayesian Inference for Adaptive Covariance Operators

Functional brain aging is often characterized by differences between people of different ages, although aging unfolds within individuals. This distinction is especially important for functional connectivity, where the direction of covariance change may evolve across adulthood. We introduce a Bayesian longitudinal covariance-operator framework that models each visit covariance as a latent positive-definite state informed by repeated resting-state fMRI runs. The approach calibrates run-level information for temporal dependence and replicate variability, separates within-person aging from between-person age differences, and uses an adaptive tangent representation to learn the low-dimensional structure of longitudinal change without relying on pooled covariance variation. The longitudinal operator varies smoothly in magnitude and orientation with age, while exact Fréchet derivatives translate the fitted trajectory to the covariance scale. This framework allows us to examine how brain covariance organization changes within individuals, whether longitudinal aging follows the population age gradient, and which functional systems contribute to their divergence. In the Dallas Lifespan Brain Study, within-person covariance aging differs substantially from the cross-sectional age gradient through early and middle adulthood, with the discrepancy diminishing later in life. Covariance reorganization is strongest around midlife, and the longitudinal signal is concentrated in a few coordinated directions, with most off-diagonal change occurring between functional systems. These findings demonstrate that population-level signatures of brain aging do not necessarily reflect individual aging trajectories and highlight the importance of modeling longitudinal covariance change directly.
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Statistical Methodology

Subdata Selection for Measurement-Constrained Linear Regression under Model Misspecification

In many modern applications, obtaining response variables is costly, time-consuming, or technically challenging, making it impractical to measure outcomes for all available units. In such settings, covariates may be available for a large pool of candidates, but responses can only be collected for a small, carefully selected subset, making the choice of which units to measure a consequential decision. Most existing subsampling methods are developed for massive datasets, emphasizing the trade-off between statistical accuracy and computational cost, and typically relying on the assumption of a correctly specified model. These features limit their suitability in measurement-constrained settings, where statistical efficiency is paramount and model misspecification is often unavoidable. To address these challenges, we develop a new subset selection framework for linear regression that accommodates potential model misspecification. The proposed approach targets predictive expected loss and yields an A-optimality-type criterion that depends only on covariate information, requiring no response observations at the selection stage. We refer to this method as Expected Loss Optimal Selection (ELOS). By focusing on predictive risk rather than model-based optimality, ELOS remains well-defined and robust under misspecification. Simulation studies and real data applications demonstrate that ELOS achieves strong predictive performance and compares favorably with existing methods across a range of scenarios.
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