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Scalable Uncertainty Quantification for Black-Box Density-Based Clustering
Bariletto, Nicola, Walker, Stephen G.
We introduce a novel framework for uncertainty quantification in clustering. By combining the martingale posterior paradigm with density-based clustering, uncertainty in the estimated density is naturally propagated to the clustering structure. The approach scales effectively to high-dimensional and irregularly shaped data by leveraging modern neural density estimators and GPU-friendly parallel computation. We establish frequen-tist consistency guarantees and validate the methodology on synthetic and real data.
Sparse Bayesian Deep Functional Learning with Structured Region Selection
Zhu, Xiaoxian, Li, Yingmeng, Ma, Shuangge, Wu, Mengyun
In modern applications such as ECG monitoring, neuroimaging, wearable sensing, and industrial equipment diagnostics, complex and continuously structured data are ubiquitous, presenting both challenges and opportunities for functional data analysis. However, existing methods face a critical trade-off: conventional functional models are limited by linearity, whereas deep learning approaches lack interpretable region selection for sparse effects. To bridge these gaps, we propose a sparse Bayesian functional deep neural network (sBayFDNN). It learns adaptive functional embeddings through a deep Bayesian architecture to capture complex nonlinear relationships, while a structured prior enables interpretable, region-wise selection of influential domains with quantified uncertainty. Theoretically, we establish rigorous approximation error bounds, posterior consistency, and region selection consistency. These results provide the first theoretical guarantees for a Bayesian deep functional model, ensuring its reliability and statistical rigor. Empirically, comprehensive simulations and real-world studies confirm the effectiveness and superiority of sBayFDNN. Crucially, sBayFDNN excels in recognizing intricate dependencies for accurate predictions and more precisely identifies functionally meaningful regions, capabilities fundamentally beyond existing approaches.
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- Information Technology > Artificial Intelligence > Representation & Reasoning (1.00)
- Information Technology > Artificial Intelligence > Machine Learning > Neural Networks > Deep Learning (1.00)
- Information Technology > Artificial Intelligence > Machine Learning > Learning Graphical Models > Directed Networks > Bayesian Learning (0.46)
Sharp Convergence Rates for Masked Diffusion Models
Liang, Yuchen, Tan, Zhiheng, Shroff, Ness, Liang, Yingbin
Discrete diffusion models have achieved strong empirical performance in text and other symbolic domains, with masked (absorbing-rate) variants emerging as competitive alternatives to autoregressive models. Among existing samplers, the Euler method remains the standard choice in many applications, and more recently, the First-Hitting Sampler (FHS) has shown considerable promise for masked diffusion models. Despite their practical success, the theoretical understanding of these samplers remains limited. Existing analyses are conducted in Kullback-Leibler (KL) divergence, which often yields loose parameter dependencies and requires strong assumptions on score estimation. Moreover, these guarantees do not cover recently developed high-performance sampler of FHS. In this work, we first develop a direct total-variation (TV) based analysis for the Euler method that overcomes these limitations. Our results relax assumptions on score estimation, improve parameter dependencies, and establish convergence guarantees without requiring any surrogate initialization. Also for this setting, we provide the first convergence lower bound for the Euler sampler, establishing tightness with respect to both the data dimension $d$ and the target accuracy $\varepsilon$. Finally, we analyze the FHS sampler and show that it incurs no sampling error beyond that induced by score estimation, which we show to be tight with a matching lower error bound. Overall, our analysis introduces a direct TV-based error decomposition along the CTMC trajectory and a decoupling-based path-wise analysis for FHS, which may be of independent interest.
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Sampling from Constrained Gibbs Measures: with Applications to High-Dimensional Bayesian Inference
Wang, Ruixiao, Chen, Xiaohong, Chewi, Sinho
This paper considers a non-standard problem of generating samples from a low-temperature Gibbs distribution with \emph{constrained} support, when some of the coordinates of the mode lie on the boundary. These coordinates are referred to as the non-regular part of the model. We show that in a ``pre-asymptotic'' regime in which the limiting Laplace approximation is not yet valid, the low-temperature Gibbs distribution concentrates on a neighborhood of its mode. Within this region, the distribution is a bounded perturbation of a product measure: a strongly log-concave distribution in the regular part and a one-dimensional exponential-type distribution in each coordinate of the non-regular part. Leveraging this structure, we provide a non-asymptotic sampling guarantee by analyzing the spectral gap of Langevin dynamics. Key examples of low-temperature Gibbs distributions include Bayesian posteriors, and we demonstrate our results on three canonical examples: a high-dimensional logistic regression model, a Poisson linear model, and a Gaussian mixture model.
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- Information Technology > Artificial Intelligence > Representation & Reasoning > Uncertainty > Bayesian Inference (1.00)
- Information Technology > Artificial Intelligence > Machine Learning > Statistical Learning (1.00)
- Information Technology > Artificial Intelligence > Machine Learning > Learning Graphical Models > Directed Networks > Bayesian Learning (0.45)
Adaptation to Intrinsic Dependence in Diffusion Language Models
Diffusion language models (DLMs) have recently emerged as a promising alternative to autoregressive (AR) approaches, enabling parallel token generation beyond a rigid left-to-right order. Despite growing empirical success, the theoretical understanding of how unmasking schedules -- which specify the order and size of unmasked tokens during sampling -- affect generation quality remains limited. In this work, we introduce a distribution-agnostic unmasking schedule for DLMs that adapts to the (unknown) dependence structure of the target data distribution, without requiring any prior knowledge or hyperparameter tuning. In contrast to prior deterministic procedures that fix unmasking sizes, our method randomizes the number of tokens revealed at each iteration. We show that, for two specific parameter choices, the sampling convergence guarantees -- measured by Kullback-Leibler (KL) divergence -- scale as $\widetilde O(\mathsf{TC}/K)$ and $\widetilde O(\mathsf{DTC}/K)$ respectively. Here, $K$ is the number of iterations, and $\mathsf{TC}$ and $\mathsf{DTC}$ are the total correlation and dual total correlation of the target distribution, capturing the intrinsic dependence structure underlying the data. Importantly, our guarantees hold in the practically relevant parallel-sampling regime $K
- Workflow (0.93)
- Research Report > New Finding (0.87)
Dirichlet Scale Mixture Priors for Bayesian Neural Networks
Arnstad, August, Rønneberg, Leiv, Storvik, Geir
Neural networks are the cornerstone of modern machine learning, yet can be difficult to interpret, give overconfident predictions and are vulnerable to adversarial attacks. Bayesian neural networks (BNNs) provide some alleviation of these limitations, but have problems of their own. The key step of specifying prior distributions in BNNs is no trivial task, yet is often skipped out of convenience. In this work, we propose a new class of prior distributions for BNNs, the Dirichlet scale mixture (DSM) prior, that addresses current limitations in Bayesian neural networks through structured, sparsity-inducing shrinkage. Theoretically, we derive general dependence structures and shrinkage results for DSM priors and show how they manifest under the geometry induced by neural networks. In experiments on simulated and real world data we find that the DSM priors encourages sparse networks through implicit feature selection, show robustness under adversarial attacks and deliver competitive predictive performance with substantially fewer effective parameters. In particular, their advantages appear most pronounced in correlated, moderately small data regimes, and are more amenable to weight pruning. Moreover, by adopting heavy-tailed shrinkage mechanisms, our approach aligns with recent findings that such priors can mitigate the cold posterior effect, offering a principled alternative to the commonly used Gaussian priors.
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- Europe > United Kingdom > England > Oxfordshire > Oxford (0.14)
- Europe > Norway > Eastern Norway > Oslo (0.04)
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When More Experts Hurt: Underfitting in Multi-Expert Learning to Defer
Liu, Shuqi, Cao, Yuzhou, Feng, Lei, An, Bo, Ong, Luke
Learning to Defer (L2D) enables a classifier to abstain from predictions and defer to an expert, and has recently been extended to multi-expert settings. In this work, we show that multi-expert L2D is fundamentally more challenging than the single-expert case. With multiple experts, the classifier's underfitting becomes inherent, which seriously degrades prediction performance, whereas in the single-expert setting it arises only under specific conditions. We theoretically reveal that this stems from an intrinsic expert identifiability issue: learning which expert to trust from a diverse pool, a problem absent in the single-expert case and renders existing underfitting remedies failed. To tackle this issue, we propose PiCCE (Pick the Confident and Correct Expert), a surrogate-based method that adaptively identifies a reliable expert based on empirical evidence. PiCCE effectively reduces multi-expert L2D to a single-expert-like learning problem, thereby resolving multi expert underfitting. We further prove its statistical consistency and ability to recover class probabilities and expert accuracies. Extensive experiments across diverse settings, including real-world expert scenarios, validate our theoretical results and demonstrate improved performance.
Anti-causal domain generalization: Leveraging unlabeled data
Saengkyongam, Sorawit, Gamella, Juan L., Miller, Andrew C., Peters, Jonas, Meinshausen, Nicolai, Heinze-Deml, Christina
The problem of domain generalization concerns learning predictive models that are robust to distribution shifts when deployed in new, previously unseen environments. Existing methods typically require labeled data from multiple training environments, limiting their applicability when labeled data are scarce. In this work, we study domain generalization in an anti-causal setting, where the outcome causes the observed covariates. Under this structure, environment perturbations that affect the covariates do not propagate to the outcome, which motivates regularizing the model's sensitivity to these perturbations. Crucially, estimating these perturbation directions does not require labels, enabling us to leverage unlabeled data from multiple environments. We propose two methods that penalize the model's sensitivity to variations in the mean and covariance of the covariates across environments, respectively, and prove that these methods have worst-case optimality guarantees under certain classes of environments. Finally, we demonstrate the empirical performance of our approach on a controlled physical system and a physiological signal dataset.
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- Europe > Switzerland > Zürich > Zürich (0.04)
- Health & Medicine > Therapeutic Area (0.46)
- Health & Medicine > Diagnostic Medicine (0.46)
Semi-Supervised Learning on Graphs using Graph Neural Networks
Chen, Juntong, Donnat, Claire, Klopp, Olga, Schmidt-Hieber, Johannes
Graph neural networks (GNNs) work remarkably well in semi-supervised node regression, yet a rigorous theory explaining when and why they succeed remains lacking. To address this gap, we study an aggregate-and-readout model that encompasses several common message passing architectures: node features are first propagated over the graph then mapped to responses via a nonlinear function. For least-squares estimation over GNNs with linear graph convolutions and a deep ReLU readout, we prove a sharp non-asymptotic risk bound that separates approximation, stochastic, and optimization errors. The bound makes explicit how performance scales with the fraction of labeled nodes and graph-induced dependence. Approximation guarantees are further derived for graph-smoothing followed by smooth nonlinear readouts, yielding convergence rates that recover classical nonparametric behavior under full supervision while characterizing performance when labels are scarce. Numerical experiments validate our theory, providing a systematic framework for understanding GNN performance and limitations.
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- North America > United States > California > Santa Clara County > Palo Alto (0.04)
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Asymptotically Optimal Sequential Testing with Markovian Data
Sethi, Alhad, Sagar, Kavali Sofia, Agrawal, Shubhada, Basu, Debabrota, Karthik, P. N.
We study one-sided and $α$-correct sequential hypothesis testing for data generated by an ergodic Markov chain. The null hypothesis is that the unknown transition matrix belongs to a prescribed set $P$ of stochastic matrices, and the alternative corresponds to a disjoint set $Q$. We establish a tight non-asymptotic instance-dependent lower bound on the expected stopping time of any valid sequential test under the alternative. Our novel analysis improves the existing lower bounds, which are either asymptotic or provably sub-optimal in this setting. Our lower bound incorporates both the stationary distribution and the transition structure induced by the unknown Markov chain. We further propose an optimal test whose expected stopping time matches this lower bound asymptotically as $α\to 0$. We illustrate the usefulness of our framework through applications to sequential detection of model misspecification in Markov Chain Monte Carlo and to testing structural properties, such as the linearity of transition dynamics, in Markov decision processes. Our findings yield a sharp and general characterization of optimal sequential testing procedures under Markovian dependence.
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