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Any-Order GPT as Masked Diffusion Model: Decoupling Formulation and Architecture

Efficiently scaling Large Language Models (LLMs) necessitates exploring alternatives to dominant autoregressive (AR) methods, with Masked Diffusion Models (MDMs) emerging as candidates. However, comparing AR (typically decoder-only) and MDM (often encoder-only) paradigms is confounded by differing architectures, obscuring true algorithmic and efficiency trade-offs. This research decouples these factors by evaluating MDMs within a decoder-only framework to: (1) Equitably compare MDM (as Any-Order AR) and standard AR paradigms through discrepancies on orders. (2) Investigate MDM architectural impacts on computational efficiency. We show decoder-only MDMs, despite a larger modeling space, can achieve significant inference speedups ($\sim25\times$) and comparable perplexity with techniques like temperature annealing, offering a path to reduced inference compute. This work provides insights for developing more computationally efficient foundation models by disentangling core modeling choices from architectural influences. Code is available at https://github.com/scxue/AO-GPT-MDM.

cs.LG

Generalized infinite dimensional Alpha-Procrustes based geometries

This work extends the recently introduced Alpha-Procrustes family of Riemannian metrics for symmetric positive definite (SPD) matrices by incorporating generalized versions of the Bures-Wasserstein (GBW), Log-Euclidean, and Wasserstein distances. While the Alpha-Procrustes framework has unified many classical metrics in both finite- and infinite- dimensional settings, it previously lacked the structural components necessary to realize these generalized forms. We introduce a formalism based on unitized Hilbert-Schmidt operators and an extended Mahalanobis norm that allows the construction of robust, infinite-dimensional generalizations of GBW and Log-Hilbert-Schmidt distances. Our approach also incorporates a learnable regularization parameter that enhances geometric stability in high-dimensional comparisons. Preliminary experiments reproducing benchmarks from the literature demonstrate the improved performance of our generalized metrics, particularly in scenarios involving comparisons between datasets of varying dimension and scale. This work lays a theoretical and computational foundation for advancing robust geometric methods in machine learning, statistical inference, and functional data analysis.

stat.ML

Expressivity of Contradiction Graphs

We study the contradiction graphs associated with a binary concept class. For a class $H\subseteq\{0,1\}^X$, the order-$m$ contradiction graph $G_m(H)$ has as vertices the $H$-realizable labeled sequences of length $m$, with two vertices adjacent when the two sequences assign opposite labels to some common domain point. First, we identify a graph-theoretic property that determines the threshold predicate $\operatorname{VCdim}(H)\ge m$. Consequently, the sequence $(G_m(H))_{m\ge1}$ determines the exact VC dimension and, in particular, distinguishes finite from infinite VC dimension, answering a question posed by Alon et al. (2024). We then generalize this result by proving that the sequence of contradiction graphs determines, up to signed relabeling, the realizable datasets of any fixed length. Thus, any learning-theoretic property determined by the realizable datasets of a fixed length and invariant under signed relabeling can be recovered from the contradiction graph sequence. As an application, we explicitly provide a characterization of Littlestone dimension.

stat.ML

Manifold-Aligned Generative Transport

Many high-dimensional datasets concentrate near a low-dimensional structure embedded in the ambient space. Generative models for such data must control off-support mass while remaining computationally practical. Diffusion models use iterative denoising at inference, whereas standard normalizing flows require invertible, dimension-preserving maps. We propose MAGT (Manifold-Aligned Generative Transport), a direct transport from a low-dimensional base distribution to the data space. Its core objective compares the data and generator-induced scores at a selected Gaussian smoothing level. A posterior identity expresses this score through a latent conditional mean, which is approximated by self-normalized importance sampling over a finite anchor set. After training, generation requires one evaluation of the transport, whose image also carries an intrinsic density with respect to manifold volume. We establish a minimax-optimal Wasserstein convergence rate for an explicitly constructed localized spline-RePU coordinate transport estimator, and treat finite-anchor approximation separately. Experiments on synthetic, image, and tabular benchmarks compare fidelity, support alignment, and sampling cost with diffusion, flow-matching, and adversarial baselines.

stat.ML

Knowledge Distillation in Wide Neural Networks: Risk Bound, Data Efficiency and Imperfect Teacher

Knowledge distillation is a strategy of training a student network with guide of the soft output from a teacher network. It has been a successful method of model compression and knowledge transfer. However, currently knowledge distillation lacks a convincing theoretical understanding. On the other hand, recent finding on neural tangent kernel enables us to approximate a wide neural network with a linear model of the network's random features. In this paper, we theoretically analyze the knowledge distillation of a wide neural network. First we provide a transfer risk bound for the linearized model of the network. Then we propose a metric of the task's training difficulty, called data inefficiency. Based on this metric, we show that for a perfect teacher, a high ratio of teacher's soft labels can be beneficial. Finally, for the case of imperfect teacher, we find that hard labels can correct teacher's wrong prediction, which explains the practice of mixing hard and soft labels.

cs.LG

DLM-One: Diffusion Language Models for One-Step Sequence Generation

This paper introduces DLM-One, a score-distillation-based framework for one-step sequence generation with continuous diffusion language models (DLMs). DLM-One eliminates iterative refinement by aligning the scores of a student model's outputs with the score function of a pretrained teacher DLM in the forward-diffused noisy space. We demonstrate that our framework is architecture-agnostic and robust across diverse continuous manifolds, including standard token embedding spaces and logit simplex spaces. Through experiments on multiple representative DLMs, we show that DLM-One achieves up to $\sim$2000$\times$ speedup in sampling steps and $\sim$500$\times$ in wall-clock time, while maintaining competitive performance on benchmark text generation tasks. We further analyze failure modes in language-domain diffusion distillation and propose an adversarially-regularized two-stage training scheme to prevent student degeneration. Our findings position one-step score distillation as a viable path for the efficient deployment of continuous diffusion models operating in continuous space for natural language processing.

cs.CL

Implementing neural network mixed-effects models in Template Model Builder (TMB)

Neural network mixed-effects models (NMMs) have gained traction by combining the strong representation and predictive power of artificial neural networks with the capacity of mixed-effects modeling to capture complex correlation structures. However, existing estimation approaches rely heavily on manual derivations of objective functions and gradients, which inherently forces simplifying approximations and severely constrains the complexity and accuracy of NMMs. In this work, we introduce a general framework for implementing NMMs using Template Model Builder (TMB). By leveraging automatic differentiation and Laplace approximation, TMB requires users to specify only the negative joint log-likelihood and any regularization terms. The framework automatically integrates out random effects and evaluates the marginal objective function alongside its exact gradients, eliminating the need for manual derivations or ad hoc approximations. We demonstrate the efficiency, flexibility, and statistical performance of TMB-based NMMs across two numerical examples, including an application to monotonic NMMs. Reproducible code is provided to facilitate broader adoption.

stat.ML

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

Quantum Maximum Likelihood Prediction via Hilbert Space Embeddings

Maximum likelihood prediction (MLP) is a core task at the heart of modern large language models. Here, we study a quantum version of this task for a simplified data model consisting of independent and identically distributed samples, as a first step. The quantum maximum likelihood predictor (QMLP) is obtained by embedding of empirical probability distributions into quantum states and performing a minimization of quantum relative entropy over a given class of states. We derive non-asymptotic performance guarantees for QMLP in terms of convergence rates and concentration inequalities, both in trace norm and quantum relative entropy. Our approach provides a unified framework to handle MLP within both classical and quantum LLMs. We also consider the related problem of quantum information projection and generalize the quantum Pythagorean theorem to mixture families specified by possibly non-self-adjoint linear constraints. We further show that the Pythagorean inequality continues to hold in the infinite-dimensional setting whenever the convex information-projection problem attains a finite minimum.

cs.IT

A Deep Latent Variable Framework for Jointly Modeling Missingness, Measurement Error, and Heterogeneity

Missing data, measurement error, and population heterogeneity are pervasive challenges in analyzing data arising from modern observational studies and machine learning applications. Although these problems frequently coexist and interact, they are often treated separately in existing works. We propose a unified probabilistic framework that jointly addresses these issues utilizing deep latent variable representation. The proposed method integrates a novel hierarchical tree-routed variational autoencoder with pattern-aware latent representations and calibration-based denoising. The framework accommodates missing data mechanisms, including MCAR, MAR, and MNAR, while simultaneously learning subgroup-specific and globally shared latent structure. The introduced reconvergent routing mechanism enables selective parameters to be shared across related subpopulations, which offers flexibility as well as improved statistical efficiency. Simulation studies demonstrate substantial improvements over existing deep generative imputation approaches under complex heterogeneous missingness and measurement-error settings. The proposed framework provides a principled approach for learning from noisy and incomplete data in modern healthcare and other high-dimensional applications.

stat.ML

Fairness in multi-class multi-group classification problems via contextial coherent risk measures

We propose a new design of fair classifiers for multi-class classification problems in the presence of vector-valued sensitive attributes. In that scenario each sensitive attribute has multiple values and forms several groups relevant to the fairness consideration. Naturally those groups are overlapping and one should also analyze the interaction of factors. Additionally, the decision makers aided by the classification should not violate individual rights at the expense of satisfying fairness metrics at the group level. We propose an approach using the theory and methods of coherent measures of risk aiming at resolving the fairness challenges. Further, we propose a specialized numerical method for solving the resulting optimization problem. The method scales well with the increase of the number of observations. Additionally, we note that the obtained classifier is robust with respect to corrupted data or to situation when data is scarce. We demonstrate the advantages of the proposed framework in comparison to the support-vector machine framework and other methods handling fairness.

stat.ML

Exact Global MCMC with Denoising Diffusion

This work shows that diffusion models learned with standard denoising loss can provide effective global MCMC proposals for complex high-dimensional target densities. The method is motivated by the observation that sequentially applying a forward and reverse diffusion process defines a Markov chain with a target stationary distribution for an ideal denoiser trained on samples of the target distribution. This observation can be made exact for any denoiser by applying a Metropolis-Hastings step whose acceptance ratio includes the density of the forward and reverse paths of a discrete time SDE approximation. We therefore propose to train denoising diffusion models on locally convergent MALA samples to learn global MCMC proposals. We call the composition of the global denoiser-based path sampler and a local MALA sampler Denoising Diffusion Monte Carlo (DDMC). Experiments show that DDMC can provide global proposals with high acceptance across a variety of complex target densities. Our results offer preliminary evidence that the established scaling behavior of standard diffusion training transfers directly to exact sampling from high-dimensional unnormalized densities.

stat.ML

Debiased Inference for AI-Generated Data without Gold-Standard Labels: Identification via Multiple Imperfect Measurements

An increasing number of scholars use AI to measure variables they subsequently include in downstream analyses. Although AI-measured variables are often analyzed as if observed without error, ignoring prediction errors in automated measurement leads to substantial bias and invalid confidence intervals in downstream analyses, even if AI measurement accuracy is high, e.g., above 90%. Existing solutions, such as design-based supervised learning and prediction-powered inference, combine error-prone AI-based measurements with gold-standard labels, which may be costly and difficult to obtain in some application areas. In this paper, we propose debiased inference with multiple imperfect measurements (DMM), a framework that combines multiple error-prone AI measurements to enable valid downstream inference without gold-standard labels. Building on the established results on CP decomposition, DMM assumes that these measurements are independent conditional on the latent true label and observed unit-level features, such as text features represented by embeddings. This framework allows for unknown misclassification rates to vary across annotation methods (e.g., large language models) and across units of annotation (e.g., texts). Under this assumption, we use semiparametric inference theory to prove that the DMM estimator is consistent and asymptotically normal, enabling valid inference for a wide range of downstream statistical analyses common in the social sciences. Our simulation results show that DMM yields valid inference and that adding accurate, though imperfect, measurements can improve efficiency. Focusing on common applications of large language model annotations, we also develop diagnostics to assess the conditional independence assumption.

stat.ME

Performance-Efficiency Tradeoffs in Transformers: An Approximation Theory Perspective

Transformers have achieved remarkable successes across a wide range of applications, yet the theoretical foundation of their model efficiency remains underexplored. In this work, we investigate how the model parameters -- mainly attention heads and head dimensions -- should be allocated across layers to balance expressivity and efficiency. We first provide mathematical analysis on the role of early layers in information extraction from an approximation perspective, with a theoretical characterization on the trade-off between the number of heads and head dimension under a fixed parameter budget. In addition, we uncover and prove the \emph{saturation} behavior of softmax activations: Continuously increasing head dimensions can lead to diminishing returns in learning errors, particularly for long sequences. Supported by both theory and experiments, this saturation pattern suggests that later layers can operate more efficiently with reduced parameters. Combining these insights, we propose principled strategies for allocating attention heads and dimensions across Transformers' layers, shedding light on theoretically-grounded model efficiency of Transformer-based architectures.

cs.LG

Inverting Foundation Models of Brain Function with Simulation-Based Inference

Foundation models of brain activity promise a new frontier for in silico neuroscience by emulating neural responses to complex stimuli across tasks and modalities. A natural next step is to ask whether these models can also be used in reverse. Can we recover a stimulus or its properties from synthetic brain activity? We study this question in a proof-of-concept setting using TRIBEv2. We pair the brain emulator with large language models (LLMs) that generate news headlines from linguistic parameters such as valence, arousal, and dominance. We then use simulation-based inference to learn a probabilistic mapping from brain maps to latent stimulus parameters. Our results show that these parameters can be recovered from predicted brain maps, demonstrating that the emulator's synthetic neural encodings preserve information about the controlled stimulus dimensions. They also show that LLMs can serve as controllable stimulus generators for simulated experiments. Together, these findings provide a step toward decoding and inverse design with foundation brain models.

cs.LG

Online Learning-to-Defer with Varying Experts

Learning-to-Defer (L2D) methods route each query either to a predictive model or to external experts. Real-world deployments require handling streaming data, changing expert availability, shifting expert reliability, and feedback observed only for the selected action. We introduce an online multiclass L2D algorithm that combines queried-action bandit feedback with a dynamically varying pool of experts. Let $N=n+n_e$, let $B$ bound the Frobenius norm of the linear score matrix, and let $ρ$ bound the augmented input norm. Assuming linear calibration and zero surrogate minimizability gap for the projected comparator class, our method achieves expected true-deferral regret $O((BN^{3/2}ρ+1)T^{2/3})$, improving to $O(BN^{3/2}ρ\sqrt T+B^2N^3ρ^2)$ under a concentrated-score condition. The analysis combines an online $\mathcal H$-consistency transfer bound with projected online convex optimization. Experiments on synthetic and real-world datasets demonstrate selective routing under varying expert availability and reliability.

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

Common-Center Geometry and Certified Radial Reconstruction for Energy-Form Full Conformal Regions

This note studies the geometry of full conformal prediction (FullCP) regions generated by an empirical energy-form pairwise score. Candidate-score convexity alone does not guarantee connected FullCP regions, even for empirical averages of losses convex in the candidate argument. For the energy-form score, each leave-one-out training comparison reduces exactly to a pairwise-dissimilarity sublevel condition. Under symmetry, a constant diagonal, a diagonal lower bound, and attainment of the associated Fréchet-type objective, all comparison regions share a minimizer; if they are convex, every nontrivial exact conformal region is star-shaped about that point. For power distances $ρ_β(x,y)=\|x-y\|^β$, this geometry holds for $β\ge1$, while the conventional energy score is strictly proper for $0<β<2$. For $d=1,β=1$, every nontrivial empirical-CRPS FullCP region is a nonempty closed interval (possibly $\mathbb R$ when $m=1$). For $1<β<2$ and $m\ge2$, explicit data-checkable derivative bounds give Lipschitz control of the radial exits and exact conformal radial function. Combined with directional root search and classical Lipschitz extensions, they yield certified inner and outer radial envelopes of width at most $δ+2\widetilde Lh_{\mathcal U}$ and same-ray Hausdorff guarantees. An analytic two-dimensional example shows why preserving star-shaped but nonconvex geometry can matter. A staged two-dimensional study finds modest but systematic tightening of the generic certificate and frequent robust nonconvexity witnesses, with detected normalized radial departures typically small. The method is intended for low-dimensional multivariate outputs rather than high-dimensional scaling or runtime improvement.

stat.ML