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330 records · Page 4Linked to original sources

arXiv2026

Reading and Steering Representations of Materials-Science Mechanisms in an Open-Weight Language Model

Large language models can answer scientific questions, yet a correct output does not reveal whether the model represents or uses the governing physics. Here, using three open-weight Gemma 4 models (google/gemma-4-E4B-it, google/gemma-4-12B-it, google/gemma-4-31B-it) we identify three experimentally separable signatures of materials-science mechanism information: selective concept readability, relational encoding of qualitative constitutive orientation, and causal, context-dependent control of constrained engineering answers. We combine matched direct and Jacobian vocabulary readouts, option-free state geometry, a 60-law counterfactual benchmark and causal interventions. In 50 held-out materials descriptions, three independently fitted Jacobian lenses reproduced concept ranks, and target-free word sets from both readouts enabled blinded identification of 9 of 10 mechanism families. A separate 72-prompt benchmark produced mechanism-specific hidden-state neighborhoods, but an exact graph audit showed that this apparent physical organization was equally explained by numerical comparison. We therefore compared otherwise identical prompts in which only the direction of the physical input was reversed, asking whether the resulting hidden-state movement followed the supplied constitutive law. These state transformations ordered direct, physically neutral and inverse laws across 60 frozen relations and correctly oriented 39 of 40 directional laws, whereas lexical controls were near chance. Bidirectional interventions shifted answer probabilities toward or away from the physically appropriate outcome across all 12 matched cases, while counterfactual state patches transferred opposing decision signals across mechanisms and answer formats. Physical relationships were therefore more visible in controlled state changes than in absolute states alone.

cs.AI↗

arXiv2026

Not All Explanations Are Sought: Information-Seeking Psychology for Human-Centered XAI

This position paper argues that human-centered explainable AI (HCXAI) should incorporate insights from the psychology of information seeking. Drawing on Sharot and Sunstein's framework of information-seeking motives, we propose that people evaluate whether to engage with explanations based on three types of expected utility: instrumental (will it help me act better?), hedonic (will it make me feel better?), and cognitive (will it improve my understanding?). Each utility is estimated through a lens shaped by well-documented cognitive biases, including illusion of control, automation bias, unrealistic optimism, impact bias, overconfidence, and confirmation bias. These biases can lead to two failure modes: excessive information-seeking that fragments attention without improving decisions, and insufficient information-seeking that leaves critical risks and misunderstandings unexamined. This challenge is particularly acute for agentic AI systems, where explanations must support not just understanding a single output but anticipating cascading actions, assessing risks, and deciding when to intervene. By integrating information-seeking psychology into HCXAI, we advocate for a shift from making explanations available to making them sought: designing systems that account for when and why users actually want to know.

cs.AI↗

arXiv2025

Symmetry-driven embedding of networks in hyperbolic space

Hyperbolic models are known to produce networks with properties observed empirically in most network datasets, including heavy-tailed degree distribution, high clustering, and hierarchical structures. As a result, several embeddings algorithms have been proposed to invert these models and assign hyperbolic coordinates to network data. Current algorithms for finding these coordinates, however, do not quantify uncertainty in the inferred coordinates. We present BIGUE, a Markov chain Monte Carlo (MCMC) algorithm that samples the posterior distribution of a Bayesian hyperbolic random graph model. We show that the samples are consistent with current algorithms while providing added credible intervals for the coordinates and all network properties. We also show that some networks admit two or more plausible embeddings, a feature that an optimization algorithm can easily overlook.

stat.CO↗

arXiv2026

Selection-Aware Stress Testing for Interactive Agents

Agent evaluations often use one benchmark to choose a workflow and then search for task types where its advantage weakens, so both conclusions are selected from the same data. We introduce Selection-Aware Semantic Stress Testing (\SASST{}), which learns a task reweighting from pre-execution features on discovery tasks and evaluates the same paired comparison on separate confirmation tasks. The protocol checks support and stability, uses joint bounds for all planned claims, and can return no claim. We prove conditional asymptotic validity under stated cluster assumptions. A forty-cluster audit finds Gaussian undercoverage and conservative Bonferroni $t$ bounds. In one 480-episode $τ$-bench study, a $3.75$ point discovery gain vanished on confirmation. A second-model study likewise confirmed neither a workflow benefit nor a stable stress rule.

cs.LG↗

arXiv2026

Sub-Gaussian Concentration and Entropic Normality of the Maximum Likelihood Estimator

It is well known that, under standard regularity conditions, the maximum likelihood estimator (MLE) satisfies a central limit theorem and converges in distribution to a Gaussian random variable as the sample size grows. This paper strengthens this classical result by developing several stronger forms of asymptotic normality for the normalized MLE. With additional assumptions on the score, we first establish sub-Gaussian tail bounds and convergence of all moments for the normalized estimation error. We then prove an entropic central limit theorem for a smoothed version of the estimator, showing convergence in relative entropy to the limiting Gaussian law. When the Fisher information of the normalized estimate is bounded, or its density has bounded first derivative, we further show that the smoothing can be removed, yielding entropic normality of the MLE itself. The proofs develop auxiliary tools that may be of independent interest, including exponential consistency bounds, high-moment estimates, and entropy-control arguments for the estimator.

cs.IT↗

arXiv2026

Windowed thinning and query complexity for the bouncy particle and Zigzag samplers

Let $μ(d x)\propto e^{-U(x)} d x$ on $\R^d$, where $U$ is $m$-strongly convex and $L$-smooth, and denote by $κ=L/m$ the condition number. We consider windowed thinning, an exact simulation method for the bouncy particle sampler and the coordinate Zigzag process. The method divides a trajectory into deterministic windows and uses a gradient evaluation at the beginning of each window to construct a tractable local envelope for the event rate. Combining this construction with quantitative mixing estimates and finite-time bounds on the expected numbers of bounces and flips yields query complexity guarantees from a Gaussian cold start. For total-variation error $\varepsilon$, the expected query counts are $O(κ^{1/2}d\,(d\logκ+\log\frac1\varepsilon))$ gradient queries for the bouncy particle sampler and $O(κd^{1/4}(d\logκ+\log\frac1\varepsilon))$ full-gradient equivalents for Zigzag, where $d$ coordinate-partial queries count as one equivalent.

math.NA↗

arXiv2023

Information geometric bound on general chemical reaction networks

We investigate the dynamics of chemical reaction networks (CRNs) with the goal of deriving an upper bound on their reaction rates. This task is challenging due to the nonlinear nature and discrete structure inherent in CRNs. To address this, we employ an information geometric approach, using the natural gradient, to develop a nonlinear system that yields an upper bound for CRN dynamics. We validate our approach through numerical simulations, demonstrating faster convergence in a specific class of CRNs. This class is characterized by the number of chemicals, the maximum value of stoichiometric coefficients of the chemical reactions, and the number of reactions. We also compare our method to a conventional approach, showing that the latter cannot provide an upper bound on reaction rates of CRNs. While our study focuses on CRNs, the ubiquity of hypergraphs in fields from natural sciences to engineering suggests that our method may find broader applications, including in information science.

physics.chem-ph↗

arXiv2026

Minimax Lower Bound for Estimating Diffusion-based Local Intrinsic Dimension

While diffusion-based methods have recently emerged as effective tools for probing the intrinsic geometry of high-dimensional data, their statistical difficulty remains largely unexplored. We study estimation of the finite-scale population functional underlying FLIPD (Kamkari et al., 2024; arXiv:2406.03537), a diffusion-based local intrinsic dimension (LID) quantity defined through the logarithmic scale derivative of a Gaussian-smoothed density. Intuitively, Gaussian smoothing turns local dimension into a scale law: near a $d$-dimensional manifold, the kernel mass grows like $σ^d$, so differentiating with respect to the noise scale reveals the intrinsic exponent. Under a regular manifold model, we show uniformly over the model class that the finite-scale field differs from the manifold dimension $d$ by at most $O(σ^2)$. We then establish a minimax lower bound of order $(nσ^d)^{-1}$ for estimating this finite-scale field from $n$ observations, for $n^{-1/(2α+d)}\lesssimσ\leσ_0$. At the smallest scale covered by our lower-bound construction, the bound becomes the nonparametric rate $n^{-2α/(2α+d)}$.

stat.ML↗

arXiv2026

Entropy-Generated Attention Beyond Softmax and Entmax: Kaniadakis and Reciprocal-Symmetric Abe Operators

We derive two attention operators from generalized statistical entropies. Kaniadakis entropy yields an exact full-support normalization whose weights and low-score sensitivities decay algebraically, rather than exponentially as in Softmax or by exact truncation as in entmax. Classical Abe entropy yields an implicit reciprocal-symmetric operator. With $q=e^ε$, the involution $q\leftrightarrow q^{-1}$ removes every odd correction about Softmax; we obtain the normalized second- and fourth-order terms, including the deformation of the normalization multiplier. These stationary laws follow from a Fisher-metric Lagrangian on the probability simplex, whose Shannon sector recovers scaled dot-product Softmax. We also give a tangent-gradient test for deciding whether changing the entropy changes the attention profile or only its scale. Rényi and two-parameter Sharma--Mittal entropies retain the Tsallis--entmax inverse-gradient shape, but their global moments make the effective temperature input dependent when the external temperature is fixed. Distinguishing profile-shape equivalence from fixed-parameter operator equivalence separates new normalization shapes from adaptive rescalings and organizes the operators by support, tail behavior, and realization complexity.

cs.LG↗

arXiv2026

Sharp Restricted Isometry Thresholds for Global Minima of Rank-Restricted Matrix LASSO

We determine the sharp restricted isometry threshold for recovery at global minima of the rank-restricted matrix LASSO. For target rank $r_{\star}$, if the rank-$k$ RIP constant satisfies $δ<δ_{\mathrm{sharp}}(k/r_{\star})$, where $δ_{\mathrm{sharp}}(t)=t/(4-t)$ for $0<t<4/3$ and $δ_{\mathrm{sharp}}(t)=\sqrt{(t-1)/t}$ for $t\ge4/3$, then every global minimizer has Frobenius error $\lesssim\sqrt{r_{\star}}λ$ for all $λ\gtrsim\|\mathcal{A}^{*}(ξ)\|_{\mathrm{op}}$ and at every search rank $r\ge r_{\star}$. The constants depend only on the RIP constant and $t=k/r_{\star}$, and in particular are independent of the search rank. When the rank restriction is inactive, the result specializes to the ordinary convex matrix LASSO. We also obtain the analogous results for sparsity-restricted vector LASSO. Conversely, we show that the threshold $δ<δ_{\mathrm{sharp}}(k/r_{\star})$ cannot be improved, due to the existence of counterexamples whose global minimizers fail to recover the ground truth.

stat.ML↗

arXiv2026

A computational approach to maximum likelihood thresholds for colored Gaussian graphical models

Gaussian graphical models (GGMs) are essential tools for interpretable structure learning. However, in high-dimensional, small-sample regimes, the available data is often insufficient for the maximum likelihood estimator to exist. Colored Gaussian graphical models (CGGMs) mitigate this limitation by imposing symmetry constraints through graph coloring, which reduces the required sample size. This minimal number of observations needed to guarantee that the estimator exists almost surely is defined as the maximum likelihood threshold (MLT). Here, we address the computation of the MLT for CGGMs by focusing on its geometric formulation: finding the minimum rank of a sample covariance matrix such that its projection lies almost surely within the interior of the cone of sufficient statistics. We establish a unified theoretical framework, extending results from uncolored to colored models and introducing new symbolic algorithms. Furthermore, we present a computational study integrating sampling with topological data analysis (TDA) to investigate the local geometry of the cone of sufficient statistics. Our results demonstrate the potential of TDA to overcome the computational bottlenecks of traditional symbolic algebraic methods, particularly Groebner basis computations, in analyzing the likelihood geometry of CGGMs.

stat.ML↗

arXiv2026

Discrete Gromov-Wasserstein Duality: Algorithms and Isomorphism Testing

The Gromov-Wasserstein (GW) distance provides a principled framework for aligning metric measure (mm) spaces based solely on their intrinsic structure. Its ability to identify isomorphic representations of distributions across spaces renders it valuable for comparing data where equality up to isomorphism occurs naturally such as in graphs or, more generally, distributions on graphs. Recently, a type of dual form for the GW distance between Euclidean distributions with the squared Euclidean or inner product costs was derived, spurring the development of new statistical and algorithmic results for this setting. This work furnishes a novel duality result for GW distances with and without entropic regularization that is applicable to all finitely supported mm spaces. Leveraging this result, we derive the sample complexity of empirical GW distances between finite mm spaces, as well as limit distributions under proper centering and scaling. Furthermore, we propose new algorithms for solving the regularized GW problem which are subject to formal convergence guarantees. These statistical and algorithmic advancements give rise to a principled and efficient framework for testing whether two distributions on the set of graphs with a fixed number of nodes are isomorphic based on samples.

math.ST↗

arXiv2026

Statistical Inference for Privatized Data with Unknown Sample Size

We develop both theory and algorithms to analyze privatized data in unbounded differential privacy (DP), where even the sample size is considered a sensitive quantity that requires privacy protection. We show that the distance between the sampling distributions under unbounded DP and bounded DP goes to zero as the sample size $n$ goes to infinity, provided that the noise used to privatize $n$ is at an appropriate rate; we also establish that Approximate Bayesian Computation (ABC)-type posterior distributions converge under similar assumptions. We further give asymptotic results in regimes where the privacy budgets vary, establishing similarity of sampling distributions as well as showing that the MLE in the unbounded setting converges to the bounded-DP MLE. To facilitate valid, finite-sample Bayesian inference on privatized data under unbounded DP, we propose a reversible jump MCMC algorithm which extends the data augmentation MCMC of Ju et al. (2022). We also propose a Monte Carlo EM algorithm to compute the MLE from privatized data in both bounded and unbounded DP. We apply our methodology to analyze a linear regression model as well as a 2019 American Time Use Survey Microdata File which we model using a Dirichlet distribution.

math.ST↗

arXiv2026

HyperMC: Multi-Fidelity Hyperparameter Tuning for Stochastic Gradient MCMC

Stochastic gradient Markov chain Monte Carlo (SGMCMC) methods enable scalable Bayesian inference, but their performance depends strongly on hyperparameters such as the step size, mini-batch size, and number of leapfrog steps. Since most SGMCMC algorithms lack a Metropolis-Hastings acceptance rate, standard acceptance-based tuning methods are not directly applicable. We propose HyperMC, a multi-fidelity tuning framework that combines Hyperband-style resource allocation with kernel Stein discrepancy (KSD) evaluation. By running multiple successive-halving brackets, HyperMC balances broad exploration of a continuous hyperparameter space with increasingly accurate evaluation of promising configurations under a fixed computational budget. We further introduce Robust HyperMC, which uses global grid initialization followed by elite-guided local refinement to reduce sensitivity to random candidate generation and noisy finite-budget evaluations. Under suitable approximation and concentration conditions for the estimated KSD, we establish that the successive-halving component selects a near-optimal configuration among the sampled candidates with high probability and derive a sufficient computational budget for successful selection. Experiments on logistic regression, probabilistic matrix factorization, and Bayesian neural networks show that HyperMC improves posterior approximation or predictive calibration relative to MAMBA, grid search, and heuristic baselines, while Robust HyperMC yields more stable and reproducible tuning results.

stat.ML↗

arXiv2025

Stacked conformal prediction

We consider a method for conformalizing a stacked ensemble of predictive models, showing that the potentially simple form of the meta-learner at the top of the stack enables a procedure with manageable computational cost that achieves approximate marginal validity without requiring the use of a separate calibration sample. Empirical results indicate that the method compares favorably to a standard inductive alternative.

stat.ML↗

arXiv2026

Online simultaneous inference for quantiles via smoothed stochastic gradient descent

This paper considers the estimation of quantiles via a smoothed version of the stochastic gradient descent (SGD) algorithm. By smoothing the score function with a bandwidth tied to the learning rate, we obtain estimates that are monotone in the quantile level at every iteration, while retaining the memory and computational efficiency required for streaming data. We establish non-asymptotic tail probability bounds for the smoothed estimate with and without Polyak-Ruppert averaging, which are sub-exponential with a multi-regime structure. For the averaged estimate we further derive a Bahadur representation that is uniform in the quantile level and across coordinates, and a resulting Gaussian approximation by the maximum of Brownian bridges, with the dimension $p$ allowed to grow exponentially in the sample size. This yields simultaneous inference across coordinates and quantile levels. As an alternative that avoids estimating the sparsity function, we propose an online multiplier bootstrap that preserves monotonicity, runs in a single pass and is asymptotically valid. Extending the theory to a localized recursion, we obtain online nonparametric conditional quantile estimates with uniform bands over design points and quantile levels. Simulations confirm accurate finite-sample coverage, and we illustrate the method on conditional value-at-risk curves.

stat.ML↗

arXiv2026

Generalized Splines and Gaussian Processes

For finite-dimensional linear inverse problems where the variables are Gaussian, it is well-known that the minimum-mean-square error estimator takes the form of a regularized least-squares data fit. In this chapter, we show that this equivalence extends to a much broader infinite-dimensional setting where generalized splines take the role of linear regressors and generalized Gaussian processes on a nuclear space $S$ are the counterpart of Gaussian random vectors. The scope of this extension is of the same nature as the switch from the classic notion of function to that of a distribution, also known as a "generalized function." Our formalism involves a whitening/regularization operator $L: S\to S'$ whose continuous extension induces a native Hilbert space $H\subset S'$ that plays a central role in our characterization. The presentation is self-contained for the most part and remarkably general and powerful. It allows for the recovery of all known instances of such equivalences; in particular, the methods involving innovations and reproducing-kernel Hilbert spaces developed by Kailath and his students, and the mathematical correspondence between fractional splines and Mandelbrot's fractional Brownian motion (fractals), with the former being the optimal estimators of the latter. It also covers general Bayesian methods for the resolution of infinite-dimensional inverse problems.

math.ST↗

arXiv2026

When Metropolis and Hastings Meet Bradley and Terry: Exact MCMC From Preference Voting

Sampling from distributions conditioned on desired semantic properties is an emerging challenge in modern generative modeling. Metropolis-Hastings (MH) provides a principled route to conditional sampling, but requires access to exact pointwise target-density evaluations, which are not available in generative settings. Meanwhile, pairwise comparisons by humans or model "judge" are highly accessible and have proved valuable across diverse applications. We introduce Pref-MH, a general exact MH sampler for judge-induced conditional distributions using only stochastic binary pairwise comparisons. Our key observation is that the MH unnormalized density ratio matches the preference odds of the Bradley-Terry (BT) choice model. The central challenge is that while MH requires precise ratio computation, BT judges provide only sampled binary feedback. To this end, we develop a valid accept/reject rule whose resulting Markov chain provably converges to the target distribution. We further show that, for a fixed proposal kernel and budget, Pref-MH is optimal in the Peskun-Tierney sense among this class of exact reversible acceptance rules. Experiments on text generation and molecular design with LLM judges, as well as image generation with VLM judges, demonstrate that Pref-MH provides a practical and flexible approach to conditional sampling when comparative feedback is relatively easy to obtain.

cs.LG↗