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330 records · Page 5Linked to original sources

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

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

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

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

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

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

Large-scale spatial variable gene atlas for spatial transcriptomics

Spatial variable genes (SVGs) reveal critical information about tissue architecture, cellular interactions, and disease microenvironments. As spatial transcriptomics (ST) technologies proliferate, accurately identifying SVGs across diverse platforms, tissue types, and disease contexts has become both a major opportunity and a significant computational challenge. Here, we present a comprehensive benchmarking study of 20 state-of-the-art SVG detection methods using human slides from STimage-1K4M, a large-scale resource of ST data comprising 662 slides from more than 18 tissue types. We evaluate each method across a range of biologically and technically meaningful criteria, including recovery of pathologist-annotated domain-specific markers, cross-slide reproducibility, scalability to high-resolution data, and robustness to technical variation. Our results reveal marked differences in performance depending on tissue type, spatial resolution, and study design. Beyond benchmarking, we construct the first cross-tissue atlas of SVGs, enabling comparative analysis of spatial gene programs across cancer and normal tissues. We observe similarities between pairs of tissues that reflect developmental and functional relationships, such as high overlap between thymus and lymph node, and uncover spatial gene programs associated with metastasis, immune infiltration, and tissue-of-origin identity in cancer. Together, our work defines a framework for evaluating and interpreting spatial gene expression and establishes a reference resource for the ST community.

stat.AP

Bellman-sufficient Information Complexity

We introduce Bellman-sufficient information complexity for minimax analysis of sequential decision problems. A Bellman-sufficient state retains enough of the history to close the controlled recursion, while an index $Y=χ(Ω)$ specifies the decision-relevant information being charged. The upper bound is a log-penalized Bellman program; the lower bound is a Bellman--Fano comparison along an algorithm-dependent reference trajectory. If the two values match at a common localization scale and the stated admissibility, calibration, and growth conditions hold, they form an information-risk sandwich. UCB, E2D, and AMS/EBO control or relax the upper Bellman bracket in different ways. For the main application, we give a negative answer to a widely studied form of the GP--UCB minimax-optimality question. For every $0<α<1/4$, we construct one bounded continuous kernel whose minimax regret is $Θ(T^{1-α})$ along an infinite sequence of horizons, while two globally calibrated GP--UCB rules incur linear regret under one fixed truth. An epochwise finite-marginal action-index AIR Bellman policy, implemented through robust AIR/AMS/EBO control, attains the minimax order. The construction separates realized information from the cost of uniform optimism: many low-value directions inflate the exploration multiplier and change the trajectory. Through the canonical RKHS feature map, it also yields a finite-horizon polynomial minimax separation for the specified maximal-information-calibrated LinUCB rule. A reproducible experiment illustrates the mechanism.

cs.LG

Robust Assortment Optimization from Observational Data

Assortment optimization is a fundamental challenge in modern retail and recommendation systems, where the goal is to select a subset of products that maximizes expected revenue under complex customer choice behaviors. While recent advances in data-driven methods have leveraged historical data to learn and optimize assortments, these approaches typically rely on strong assumptions -- namely, the stability of customer preferences and the correctness of the underlying choice models. However, such assumptions frequently break in real-world scenarios due to preference shifts and model misspecification, leading to poor generalization and revenue loss. Motivated by this limitation, we propose a robust framework for data-driven assortment optimization that accounts for potential distributional shifts in customer choice behavior. Our approach models potential preference shift from a nominal choice model that generates data and seeks to maximize worst-case expected revenue. We first establish the computational tractability of robust assortment planning when the nominal model is known, then advance to the data-driven setting, where we design statistically optimal algorithms that minimize the data requirements while maintaining robustness. Our theoretical analysis provides both upper bounds and matching lower bounds on the sample complexity, offering theoretical guarantees for robust generalization. Notably, we uncover and identify the notion of ``robust item-wise coverage'' as the minimal data requirement to enable sample-efficient robust assortment learning. Our work bridges the gap between robustness and statistical efficiency in assortment learning, contributing new insights and tools for reliable assortment optimization under uncertainty.

stat.ML

One-Layer Transformer Provably Learns Multiclass One-Nearest Neighbor in Context

We extend recent work establishing an equivalence between one-layer transformers and nearest-neighbor classifiers in the binary setting to the multiclass case. By leveraging the simplex encoding, we show that one-layer transformers with an argmax classification head behave identically to a one-nearest-neighbor classifier in the multiclass setting. This closes a gap left by prior work, whose multiclass result relied on a non-standard rounding-based approach rather than the typical argmax head used in practice.

cs.LG

Diffusion Distillation for Efficient Weather Ensembles

Diffusion models generate skillful weather ensembles but require costly iterative sampling. We introduce a supervised energy-distance distillation method that compresses a multi-step diffusion teacher into a single-step student by aligning student forecasts with teacher samples and ground-truth observations. Experiments on global forecasting and typhoon-track prediction show that our student outperforms existing distillation methods and preserves skill for extreme events. It matches or surpasses the teacher across key metrics using only one neural function evaluation per autoregressive step.

cs.LG

Generalized Regret Analysis of Thompson Sampling using Fractional Posteriors

Thompson sampling (TS) is one of the most popular and earliest algorithms to solve stochastic multi-armed bandit problems. We consider a variant of TS, named $α$-TS, where we use a fractional or $α$-posterior ($α\in(0,1)$) instead of the standard posterior distribution. To compute an $α$-posterior, the likelihood in the definition of the standard posterior is tempered with a factor $α$. For $α$-TS we obtain both instance-dependent $\mathcal{O}\left(\sum_{k \neq i^*} Δ_k\left(\frac{\log(T)}{C(α)Δ_k^2} + \frac{1}{2} \right)\right)$ and instance-independent $\mathcal{O}(\sqrt{KT\log K})$ frequentist regret bounds under very mild conditions on the prior and reward distributions, where $Δ_k$ is the gap between the true mean rewards of the $k^{th}$ and the best arms, and $C(α)$ is a known constant. Both the sub-Gaussian and exponential family models satisfy our general conditions on the reward distribution. Our conditions on the prior distribution can be easily satisfied by a density that is positive, continuous, and bounded. We also establish another instance-dependent regret upper bound that matches (up to constants) to that of improved UCB [Auer and Ortner, 2010]. Our regret analysis carefully adapts and combines recent theoretical developments in the non-asymptotic concentration analysis and Bernstein-von Mises type results for the $α$-posterior distribution. Moreover, our analysis does not require additional structural properties such as closed-form posteriors or conjugate priors.

stat.ML

On the Equality of the ELBO to a Sum of Entropies at Stationary Points of Learning

The variational lower bound (a.k.a. ELBO or free energy) is the central objective for many established as well as for many novel algorithms for unsupervised learning. Such algorithms usually increase the bound until parameters have converged to values close to a stationary point of the learning dynamics. Here we show that (for a very large class of generative models) the variational lower bound is at all stationary points of learning equal to a sum of entropies. Concretely, for standard generative models with one set of latents and one set of observed variables, the sum consists of three entropies: (A) the (average) entropy of the variational distributions, (B) the negative entropy of the model's prior distribution, and (C) the (expected) negative entropy of the observable distribution. The obtained result applies under realistic conditions including: finite numbers of data points, at any stationary point (including saddle points) and for any family of (well behaved) variational distributions. The class of generative models for which we show the equality to entropy sums contains many standard as well as novel generative models including standard (Gaussian) variational autoencoders. The prerequisites we use to show equality to entropy sums are relatively mild. Concretely, the distributions defining a given generative model have to be of the exponential family, and the model has to satisfy a parameterization criterion (which is usually fulfilled). Proving equality of the ELBO to entropy sums at stationary points (under the stated conditions) is the main contribution of this work.

stat.ML

DDPM Score Matching and Distribution Learning

Score estimation is the backbone of score-based generative models (SGMs), especially denoising diffusion probabilistic models (DDPMs). A key result in this area shows that with accurate score estimates, SGMs can efficiently generate samples from any realistic data distribution (Chen et al., ICLR'23; Lee et al., ALT'23). This distribution learning result, where the learned distribution is implicitly that of the sampler's output, does not explain how score estimation relates to classical tasks of parameter and density estimation. This paper introduces a framework that reduces score estimation to these two tasks, with various implications for statistical and computational learning theory: Parameter Estimation: Koehler et al. (ICLR'23) demonstrate that a score-matching variant is statistically inefficient for the parametric estimation of multimodal densities common in practice. In contrast, we show that under mild conditions, denoising score-matching in DDPMs is asymptotically efficient. Density Estimation: By linking generation to score estimation, we lift existing score estimation guarantees to $(ε,δ)$-PAC density estimation, i.e., a function approximating the target log-density within $ε$ on all but a $δ$-fraction of the space. We provide (i) minimax rates for density estimation over Hölder classes and (ii) a quasi-polynomial PAC density estimation algorithm for the classical Gaussian location mixture model, building on and addressing an open problem from Gatmiry et al. (COLT'26). Lower Bounds for Score Estimation: Our framework offers the first principled method to prove computational lower bounds for score estimation across general distributions. As an application, we establish cryptographic lower bounds for score estimation in general Gaussian mixture models, conceptually recovering Song's (NeurIPS'24) result and advancing his key open problem.

stat.ML

Modeling Information Blackouts in Missing Not-At-Random Time Series Data

Traffic forecasting systems rely on fixed sensor networks that frequently exhibit contiguous blackouts. Such outages are usually treated as ignorable missingness, although dropout can depend on unobserved traffic conditions. We study this possibility with an MNAR-aware latent state-space model that combines linear traffic dynamics with a Bernoulli missingness channel whose probability depends on the latent state. Inference uses an Extended Kalman Filter (EKF) followed by Rauch-Tung-Striebel (RTS) smoothing, and parameters are learned by approximate EM. We evaluate Seattle using a leakage-free, month-balanced set of 300 unique all-horizon-aligned blackout windows. On this benchmark, MAR-LDS attains 4.264 mph pooled imputation RMSE and MNAR-LDS improves it to 4.177 (difference -0.086); the detector-cluster bootstrap 95% interval is [-0.182,-0.002]. A causal one-step predicted latent representation raises missingness ROC-AUC from 0.685 using observed-only features to 0.784. We further test whether this compact probabilistic model remains competitive with substantially larger neural time-series architectures under the identical masked-imputation protocol. MNAR-LDS ranks second in pooled RMSE and outperforms 8 of 9 evaluated neural architectures; it is within 1.22% of the best neural result, with no statistically resolved difference under detector-cluster bootstrap, while achieving lower P95 error, lower long-blackout RMSE, and orders of magnitude fewer stored scalar entries. MNAR roughly doubles end-to-end training time relative to MAR and increases EKF+RTS inference time by 41%, making the accuracy-complexity-cost tradeoff explicit. Controlled state-dependent blackouts further show larger gains when dropout is genuinely informative, including a 6.34% reduction in 30-minute forecast RMSE relative to MAR.

stat.ML

Interpretability for Turing Machines

We show that susceptibilities, an interpretability technique developed for neural networks, can identify the presence of algorithmic structure in Turing machines by probing the local loss landscape of a learning problem for noisy Turing machines introduced by Murfet and Troiani (arXiv:2504.08075). We prove that symmetries and path separation in the algorithm implemented by a Turing machine induce permutation symmetries and low-rank blocks in its susceptibility matrix. We study this empirically on a set of deterministic finite automata (DFAs) and demonstrate that algorithmic features can be recovered by principal component analysis and clustering methods in susceptibility space.

cs.LG

Signed random Fourier features for fast density estimation with indefinite kernels

Kernel density estimation (KDE) is one of the most fundamental statistical estimators of density functions. Its direct implementation on a dataset of $N$ points incurs an $\mathcal{O}(N^{2})$ computational cost, which is prohibitive for large-scale datasets. Kernel approximation techniques can be applied to bring the computational cost down to $\mathcal{O}(N)$. The random Fourier features (RFF) technique, based on sampling from the spectral density of the kernel function, has become popular to speed up kernel estimators for machine learning applications. Unfortunately, it is restricted to positive definite kernels, while the majority of kernel functions popular in KDE, such as the parabolic kernel, do not satisfy this property. To overcome this limitation, this article introduces the signed random Fourier features (SRFF) technique. It is a generalization of RFF compatible with indefinite kernels whose inverse Fourier transform is absolutely integrable. The motivation for introducing this method is to speed up KDE in the case of multivariate compact kernels, which are generally not positive definite. We detail how to implement SRFF for both product kernels and isotropic kernels. For the class of Kuttner-Golubov kernels $K(\boldsymbol{x}_{i},\boldsymbol{x}_{j})=(1-\left\Vert \boldsymbol{x}_{i}-\boldsymbol{x}_{j}\right\Vert ^α)^β\mathbf{1}_{\{\left\Vert \boldsymbol{x}_{i}-\boldsymbol{x}_{j}\right\Vert \leq1\}}$ where $\boldsymbol{x}_{i}\in\mathbb{R}^{d}$, $\boldsymbol{x}_{j}\in\mathbb{R}^{d}$, $α>0$, $β>0$, which includes the triangular, parabolic, biweight, triweight, and other kernel functions of interest for KDE as particular examples, we provide an explicit acceptance-rejection algorithm to sample from its signed spectral density. Our numerical tests on a dataset of one million points confirm the computational efficiency and accuracy of SRFF for large-scale KDE.

stat.CO

Robust Streaming PCA

We consider streaming principal component analysis when the stochastic data generating model is subject to perturbations. While existing models assume a fixed covariance, we adopt a robust perspective where the covariance matrix belongs to a temporal uncertainty set. Under this setting, we provide fundamental limits on convergence of any algorithm recovering principal components. We analyze the convergence of the noisy power method and Oja's algorithm, both studied for the stationary data generating model, and argue that the noisy power method is rate-optimal in our setting. Finally, we demonstrate the validity of our analysis through numerical experiments on synthetic and real-world datasets.

stat.ML