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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↗

arXiv2026

Interpretable Network-assisted Random Forest+

Machine learning algorithms often assume that training samples are independent. When data points are connected by a network, the induced dependency between samples is both a challenge, reducing effective sample size, and an opportunity to improve prediction by leveraging information from network neighbors. Multiple methods taking advantage of this opportunity are available, but many, including graph neural networks, are not easily interpretable, limiting their usefulness for understanding how models make predictions. Others, such as network-assisted linear regression, are interpretable but often yield worse prediction performance. We bridge this gap by proposing a family of flexible network-assisted models built upon a generalization of random forests (RF+), which achieves highly-competitive prediction accuracy and can be understood through intrinsic interpretability measures, derived directly from the model parameters and structure. In particular, we develop a suite of interpretation tools that enable researchers to both identify important features that drive model predictions and quantify the importance of the network contribution to prediction. Importantly, we provide global and local feature importances as well as sample influence measures to assess the impact of individual observations. This suite of tools broadens the scope and applicability of network-assisted machine learning for high-impact problems where interpretability and transparency are essential.

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

Optimal Estimation of Watermark Proportions in Hybrid AI-Human Texts

Text watermarks in large language models (LLMs) are an increasingly important tool for detecting synthetic text and distinguishing human-written content from LLM-generated text. While most existing studies focus on determining whether entire texts are watermarked, many real-world scenarios involve mixed-source texts, which blend human-written and watermarked content. In this paper, we address the problem of optimally estimating the watermark proportion in mixed-source texts. We cast this problem as estimating the proportion parameter in a mixture model based on \emph{pivotal statistics}. First, we show that this parameter is not even identifiable in certain watermarking schemes, let alone consistently estimable. In stark contrast, for watermarking methods that employ continuous pivotal statistics for detection, we demonstrate that the proportion parameter is identifiable under mild conditions. We propose efficient estimators for this class of methods, which include several popular unbiased watermarks as examples, and derive minimax lower bounds for any measurable estimator based on pivotal statistics, showing that our estimators achieve these lower bounds. Through evaluations on both synthetic data and mixed-source text generated by open-source models, we demonstrate that our proposed estimators consistently achieve high estimation accuracy.

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↗

arXiv2026

Learning Representations through Token Prediction: Geometry, Approximation, and Downstream Guarantees

Token prediction is a central pre-training objective for modern language models. Despite its empirical success, why token prediction learns broadly useful representations remains incompletely understood. We develop a statistical framework connecting token prediction with representation geometry, encoder approximation, and downstream performance. Under a softmax prediction head, we show that accurate token prediction organizes token embeddings according to similarities between the distributions of contexts in which different token types appear, as measured by Hellinger distance, with explicit errors governed by prediction accuracy and token frequency. Meanwhile, the contextual representation provides a low-dimensional coordinate for the conditional distribution of the target token relative to these embeddings. We further introduce a self-consistency principle showing that repeated applications of a shared representation block can progressively refine the contextual representation without introducing additional block parameters. Among representations with the same prediction accuracy, this recurrent construction favors those that can be stably reconstructed from their contexts. Finally, we establish downstream guarantees for token generation, token community recovery, and classification by a linear probe, showing how prediction accuracy and recovered geometry translate into performance beyond the pre-training objective. Together, these results explain how the simple objective of predicting tokens can recover semantic geometry and produce broadly useful representations. A controlled simulation illustrates the theoretical mechanisms.

stat.ML↗

arXiv2026

Variation Spaces for Encoder--Decoder Neural Operators: Approximation and Generalization

Inspired by the function-space theory of neural networks, we formulate and analyze a variation space for nonlinear operators between Hilbert spaces, defined through vector-valued Borel measures of bounded variation. We characterize its unit ball as the closed convex hull of a vector-valued single-neuron dictionary in Bochner spaces. For the ReLU activation, the bounded linear operators in this space are precisely the Schatten-$1$ operators, with equivalent norms. For operators in this space, we establish encoder--decoder approximation bounds in the Bochner $L^q$-norm, where the error decomposes into input and output encoding errors and a finite-width term of order $N^{-1/2}$. Under sub-Gaussian assumptions on the input and noise, we further derive high-probability generalization bounds for empirical least squares over path-norm-constrained encoder--decoder networks; the finite-sample contribution to the squared prediction error is of order $K^{-1/2}$ up to logarithmic factors. The finite-width and finite-sample constants are independent of the encoding dimensions and bases, with the latter also independent of the network width. When the encoding errors decay algebraically, these bounds yield algebraic approximation and learning rates, in contrast to the complexity barriers for Lipschitz and Fréchet differentiable operator classes.

stat.ML↗

arXiv2026

Neural Variational Cut Posteriors without Upstream Data

In many applications, one must propagate parameter uncertainty from an earlier (upstream) analysis, available as samples, to subsequent (downstream) analyses without feedback. This problem is called cutting feedback or cut-Bayes, and the cut-posterior, the optimal posterior preserving information-flow constraints, is well characterized. However, sampling from it (e.g., via nested MCMC) is computationally intensive, while existing variational inference methods for cut-Bayes require access to upstream data and model, often unavailable. We propose a modular and provably accurate cut-Bayes approach requiring no access to upstream data or model. We leverage the characterization of the cut-posterior as the minimizer of the expected downstream conditional Kullback-Leibler divergence over the upstream posterior, replacing the expectation with the sample average over upstream draws. Our method, NeVI-Cut (neural variational inference for cut-Bayes), employs conditional normalizing flows as the variational family for downstream parameters. We provide fixed-data convergence rates of NeVI-Cut in terms of the richness of neural architecture and complexity of the cut-posterior. We establish, to our knowledge, first results on uniform Kullback-Leibler approximation rates of conditional distributions by common flow classes, yielding widely applicable fixed-data error rates for variational flows. A stochastic algorithm implements NeVI-Cut efficiently, and we demonstrate its speed and accuracy on multiple applications.

stat.ML↗

arXiv2026

Towards a Statistical Understanding of Mixture-of-Experts

Mixture-of-experts (MoE) architectures increase model capacity by combining a collection of expert predictors through input-dependent routing, while often activating only a small subset of experts for each input. Despite their growing importance in modern large-scale models, the statistical roles of their design choices, especially routing, sparse activation, and shared experts, remain only partially understood, as existing theory has largely focused on parametric or correctly specified MoE models. In this paper, we view MoE as a form of localized aggregation and show how this localization reshapes the approximation-estimation-computation tradeoff. We derive oracle risk bounds for learning dense and sparse routing with evolving experts, separating approximation, expert-learning, and router-estimation errors, and characterize how sparse Top-K routing can retain the benefits of localized aggregation while controlling per-input computation. We also interpret gating through the geometry of input space, relating routing performance to regions of local expert advantage, and show how shared experts, as adopted in architectures such as DeepSeekMoE, can extract common predictive structure so that routed experts focus on residual local variation. Together, these results provide a unified statistical framework for understanding MoE through input-dependent expert aggregation, in which expert specialization and computational tradeoffs are governed by local predictive structure.

stat.ML↗

arXiv2026

A Generalization of Amari's Bayesian Duality

Amari's contributions to information geometry and machine learning are well known. Here, we revisit Amari's work on Bayesian duality which has not received as much attention. We connect Amari's Bayesian duality to a convex duality of Bayes' rule. Using this connection, we present a generalization of Amari's Bayesian duality and discuss its relevance for modern artificial intelligence.

cs.AI↗

arXiv2026

The information geometry of product-reference discrete diffusion: Interaction growth complexity and optimal scheduling

We study a class of product-reference diffusion algorithms for sampling from a discrete distribution. We show that their sampling performance can be characterized using a path-based measure of data geometry that we call the interaction growth complexity (IGC). We show that a bivariate IGC kernel gives an exact representation of both the KL discretization error and a simple one-step upper bound. The simpler univariate IGC density can be used to study the effect of stepsize choices on the iteration complexity required to obtain $ε$-accurate samples in KL divergence. Samplers that traverse the path with equi-spaced steps in log-squared-reliability-odds have performance that depends on the aggregate IGC mass, whereas refined choices of stepsizes have a lower complexity depending on a square-root functional. In the fine-grid limit, both of these characterizations become sharp. We also allow general product reference distributions and show that the reference law can substantially reshape the IGC profile and the resulting sampling complexity; in particular, references far from both the uniform and the data marginals can yield dimension-dependent improvements. Finally, the aggregate IGC mass admits bounds in terms of total correlation and dual total correlation, thereby connecting the pathwise geometry to classical measures of multivariate dependence.

stat.ML↗

arXiv2026

Posterior Tempering Explains Variance Inflation in Linear and Generalized Linear Thompson Sampling

We study a variant of the Thompson Sampling (TS) algorithm, called $α$-TS, for solving stochastic generalized linear bandit problems. Existing analyses of TS require inflating the posterior variance to derive near-optimal regret guarantees. We formalize the idea of variance inflation by introducing $α$-TS that uses a fractional or $α$-posterior instead of the standard posterior. Our main contribution is to identify general regularity conditions on the prior and reward distributions that enable a regret analysis of $α$-TS without assuming any tractable approximation of the posterior distribution, unlike previous works. For a specific choice of $α\propto d^{-1}$, our general regret bound yields the best known regret bound of $O(d^{3/2}\sqrt{T}\log T)$ for both the exponential and sub-Gaussian families of reward distributions. We further provide an $α$-dependent lower bound showing that the regret constant depends on the product $αd$, and that when $α\propto d^{-1}$ the regret scales as $Ω(d^{3/2}\sqrt{T})$, explaining the origin of the $d^{3/2}$ factor in the upper bound. Our proof technique adapts and combines recent advancements in the analysis of linear bandit problems with first- and second-order posterior concentration theory from the Bayesian statistics literature.

stat.ML↗

arXiv2026

Robust topology optimization with non-Gaussian material fields using polygonal finite elements

We present a computational framework for robust topology optimization that integrates polygonal finite-element discretizations, spatially correlated non-Gaussian material modeling, and non-intrusive polynomial-chaos surrogates. Spatial uncertainty in Young's modulus is represented as a homogeneous non-Gaussian random field obtained via a memoryless transformation of a truncated Karhunen-Loève expansion, ensuring physical admissibility through positivity of stiffness while preserving the prescribed autocovariance. Polygonal finite elements provide a stable discretization for density-based optimization on unstructured meshes and mitigate checkerboard artefacts and mesh bias, while the sparse polynomial-chaos expansion enables efficient estimation of low-order statistical moments required by the robust objective at a fraction of the cost of intrusive or Monte Carlo approaches. Numerical studies on a cantilever and a curved beam show that introducing non-Gaussian material variability leads to systematic load-path redistribution and a reallocation of 6-12% of the structural volume, together with a reduction in compliance scatter. The non-intrusive surrogate reproduces intrusive reference results within 3% using an order of magnitude fewer full finite-element analyses. These results demonstrate that the proposed framework offers a physically consistent and computationally efficient route to topology-optimized designs that remain reliable under realistic material uncertainty.

cs.CE↗

arXiv2026

Rollcast: Proper-Score Gated Rolling Anchors for Adaptive Probabilistic Time-Series Forecasting

Rollcast is a probabilistic forecasting method for univariate time series that combines a compact set of rolling statistical anchors rather than relying on a single global model. Rolling means, medians, extrema, regression endpoints, and quantiles define candidate forecast locations and a representation of the current state. A state-dependent softmax gate learns anchor probabilities by minimizing negative log predictive density, while residual distributions retrieved from similar historical states provide local uncertainty. Recursive simulation propagates the resulting mixture over multiple forecast horizons. The method is evaluated in a Monte Carlo study covering eight data-generating processes, including autoregressive, random-walk, local-trend, threshold, regime-switching, stochastic-volatility, heavy-tailed, and variance-break dynamics. Across 2,000 independent fitted series, Rollcast is compared with the true conditional predictive distribution generated by an oracle simulator. Overall empirical coverage is 86.2% for nominal 90% intervals and 91.5% for nominal 95% intervals. Predictive intervals are on average 13.6% wider than the oracle at the 90% level, while CRPS is 14.4% higher than oracle CRPS. Performance is closest to the oracle under autoregressive, threshold, stochastic-volatility, heavy-tailed, and variance-break dynamics, while local trends and regime switching are more challenging. The results indicate that Rollcast can construct competitive probabilistic forecasts from simple, interpretable local summaries, while also identifying limitations in calibration and recursive uncertainty propagation.

stat.ML↗

arXiv2026

AI-Generated Measurements for Identification and Inference with Missing Data: A Weak Shadow Variable Approach

Across business and social science applications, outcomes are often missing in ways that depend on the unobserved outcomes themselves. In service systems, for example, whether a customer submits a rating depends on the rating they would have provided. Such missing-not-at-random (MNAR) mechanisms make population quantities difficult to identify without strong assumptions on the observation process. Meanwhile, rich unstructured data, such as customer interaction histories, are increasingly available and can be used to construct structured measurements using tools such as large language models (LLMs). In this work, we develop an assumption-lean partial identification framework that uses such measurements as weak shadow variables, defined as outcome-informative proxies that are conditionally independent of missingness given the true outcome and observed covariates. Importantly, they need not accurately predict missing outcomes or satisfy the completeness requirement in the classical shadow variable literature. For identification, we characterize sharp bounds on population quantities through a pair of linear programs. For estimation and inference, we propose a localized penalized estimator that remains feasible under sampling error, and a subsampling algorithm for constructing confidence intervals. In semi-synthetic experiments using real customer-service dialogues, weak-shadow-variable intervals are about 89\% narrower than those without auxiliary information, while their midpoints have around 41\% lower estimation error than classical MNAR methods.

stat.ML↗

arXiv2026

Logarithmic-Free Moment and Generalization Bounds for Uniformly Stable Algorithms

Uniform stability is a classical tool for controlling the generalization error of a learning algorithm. Bousquet, Klochkov, and Zhivotovskiy (2020) showed that the problem can be reduced to a moment inequality for a sum of weakly interacting functions of independent random variables. Their bound contains an additional factor $\log n$, and they asked whether this factor can be removed. We answer this upper-bound question affirmatively. More specifically, let $Z=(Z_1,\ldots,Z_n)$ have independent coordinates and let $g_i(Z)$ satisfy $\mathbb E[g_i(Z)\mid Z_{-i}]=0, \ \left| \mathbb E[g_i(Z)\mid Z_i]\right|\le M, \ \text{for every } i = 1, \dots, n, $ where $Z_{-i}$ denotes all coordinates except $Z_i$. Assume additionally that changing any coordinate $Z_j$, $j\neq i$, changes $g_i$ by at most $β$, we prove that, for every $p\ge2$, for every $p\ge2$, $$ \left\| \sum_{i=1}^n g_i(Z)\right\|_p \le 16pnβ+M\sqrt{2pn}. $$ This removes the $\log n$ factor from the previous bound and matches the lower bound of Bousquet, Klochkov, and Zhivotovskiy up to universal constants in the range covered by their construction. Our proof first establishes the required estimate on the Rademacher cube, then transfers it to arbitrary product distributions by a two-copy randomization argument.

stat.ML↗