Bayesian Optimal Experimental Design (BOED) provides a rigorous framework for decision-making tasks in which data acquisition is often the critical bottleneck, especially in resource-constrained settings. Traditionally, BOED typically selects designs by maximizing expected information gain (EIG), commonly defined through the Kullback-Leibler (KL) divergence. However, classical evaluation of EIG often involves challenging nested expectations, and even advanced variational methods leave the underlying log-density-ratio objective unchanged. As a result, support mismatch, tail underestimation, and rare-event sensitivity remain intrinsic concerns for KL-based BOED. To address these fundamental bottlenecks, we introduce an IPM-based BOED framework that replaces density-based divergences with integral probability metrics (IPMs), including the Wasserstein distance, Maximum Mean Discrepancy, and Energy Distance, resulting in a highly flexible plug-and-play BOED framework. We establish theoretical guarantees showing that IPM-based utilities provide stronger geometry-aware stability under surrogate-model error and prior misspecification than classical EIG-based utilities. We also validate the proposed framework empirically, demonstrating that IPM-based designs yield highly concentrated credible sets. Furthermore, by extending the same sample-based BOED template in a plug-and-play manner to geometry-aware discrepancies beyond the IPM class, illustrated by a neural optimal transport estimator, we achieve accurate optimal designs in high-dimensional settings where conventional nested Monte Carlo estimators and advanced variational methods fail.

Across many scientific fields, measurements often represent the number of times an event occurs. For example, a document can be represented by word occurrence counts, neural activity by spike counts per time window, or online communication by daily email counts. These measurements yield high-dimensional count data that often approximate a Poisson distribution, frequently with low rates that produce substantial sparsity and complicate downstream analysis. A useful approach is to embed the data into a low-dimensional space that preserves meaningful structure, commonly termed dimensionality reduction. Yet existing dimensionality reduction methods, including both linear (e.g., PCA) and nonlinear approaches (e.g., t-SNE), often assume continuous Euclidean geometry, thereby misaligning with the discrete, sparse nature of low-rate count data. Here, we propose p-SNE (Poisson Stochastic Neighbor Embedding), a nonlinear neighbor embedding method designed around the Poisson structure of count data, using KL divergence between Poisson distributions to measure pairwise dissimilarity and Hellinger distance to optimize the embedding. We test p-SNE on synthetic Poisson data and demonstrate its ability to recover meaningful structure in real-world count datasets, including weekday patterns in email communication, research area clusters in OpenReview papers, and temporal drift and stimulus gradients in neural spike recordings.

Sampling physical systems with rough energy landscapes is hindered by rare events and metastable trapping. While Boltzmann generators already offer a solution, their reliance on the reverse Kullback--Leibler divergence frequently induces catastrophic mode collapse, missing specific modes in multi-modal distributions. Here, we introduce the Jeffreys Flow, a robust generative framework that mitigates this failure by distilling empirical sampling data from Parallel Tempering trajectories using the symmetric Jeffreys divergence. This formulation effectively balances local target-seeking precision with global modes coverage. We show that minimizing Jeffreys divergence suppresses mode collapse and structurally corrects inherent inaccuracies via distillation of the empirical reference data. We demonstrate the framework's scalability and accuracy on highly non-convex multidimensional benchmarks, including the systematic correction of stochastic gradient biases in Replica Exchange Stochastic Gradient Langevin Dynamics and the massive acceleration of exact importance sampling in Path Integral Monte Carlo for quantum thermal states.

The prevalence of missing values in data science poses a substantial risk to any further analyses. Despite a wealth of research, principled nonparametric methods to deal with general non-monotone missingness are still scarce. Instead, ad-hoc imputation methods are often used, for which it remains unclear whether the correct distribution can be recovered. In this paper, we propose FLOWGEM, a principled iterative method for generating a complete dataset from a dataset with values Missing at Random (MAR). Motivated by convergence results of the ignoring maximum likelihood estimator, our approach minimizes the expected Kullback-Leibler (KL) divergence between the observed data distribution and the distribution of the generated sample over different missingness patterns. To minimize the KL divergence, we employ a discretized particle evolution of the corresponding Wasserstein Gradient Flow, where the velocity field is approximated using a local linear estimator of the density ratio. This construction yields a data generation scheme that iteratively transports an initial particle ensemble toward the target distribution. Simulation studies and real-data benchmarks demonstrate that FLOWGEM achieves state-of-the-art performance across a range of settings, including the challenging case of non-monotonic MAR mechanisms. Together, these results position FLOWGEM as a principled and practical alternative to existing imputation methods, and a decisive step towards closing the gap between theoretical rigor and empirical performance.

Singular statistical models arise whenever different parameter values induce the same distribution, leading to non-identifiability and a breakdown of classical asymptotic theory. While existing approaches analyze these phenomena in parameter space, the resulting descriptions depend heavily on parameterization and obscure the intrinsic statistical structure of the model. In this paper, we introduce an invariant framework based on \emph{observable charts}: collections of functionals of the data distribution that distinguish probability measures. These charts define local coordinate systems directly on the model space, independent of parameterization. We formalize \emph{observable completeness} as the ability of such charts to detect identifiable directions, and introduce \emph{observable order} to quantify higher-order distinguishability along analytic perturbations. Our main result establishes that, under mild regularity conditions, observable order provides a lower bound on the rate at which Kullback-Leibler divergence vanishes along analytic paths. This connects intrinsic geometric structure in model space to statistical distinguishability and recovers classical behavior in regular models while extending naturally to singular settings. We illustrate the framework in reduced-rank regression and Gaussian mixture models, where observable coordinates reveal both identifiable structure and singular degeneracies. These results suggest that observable charts provide a unified and parameterization-invariant language for studying singular models and offer a pathway toward intrinsic formulations of invariants such as learning coefficients.

Diffusion language models (DLMs) have emerged as a promising alternative to autoregressive (AR) models for language modeling, allowing flexible generation order and parallel generation of multiple tokens. However, this flexibility introduces a challenge absent in AR models: the \emph{decoding strategy} -- which determines the order and number of tokens generated at each iteration -- critically affects sampling efficiency. Among decoding strategies explored in practice, confidence-based methods, which adaptively select which and how many tokens to unmask based on prediction confidence, have shown strong empirical performance. Despite this success, our theoretical understanding of confidence-based decoding remains limited. In this work, we develop the first theoretical analysis framework for confidence-based decoding in DLMs. We focus on an entropy sum-based strategy that continues unmasking tokens within each iteration until the cumulative entropy exceeds a threshold, and show that it achieves $\varepsilon$-accurate sampling in KL divergence with an expected number of iterations $\widetilde O(H(X_0)/\varepsilon)$, where $H(X_0)$ denotes the entropy of the target data distribution. Notably, this strategy yields substantial sampling acceleration when the data distribution has low entropy relative to the sequence length, while automatically adapting to the intrinsic complexity of data without requiring prior knowledge or hyperparameter tuning. Overall, our results provide a theoretical foundation for confidence-based decoding and may inform the design of more efficient decoding strategies for DLMs.

Stein variational gradient descent (SVGD) is a deterministic sampling algorithm that iteratively transports a set of particles to approximate given distributions, based on a gradient-based update constructed to optimally decrease the KL divergence within a function space. This paper develops the first theoretical analysis on SVGD. We establish that the empirical measures of the SVGD samples weakly converge to the target distribution, and show that the asymptotic behavior of SVGD is characterized by a nonlinear Fokker-Planck equation known as Vlasov equation in physics. We develop a geometric perspective that views SVGD as a gradient flow of the KL divergence functional under a new metric structure on the space of distributions induced by Stein operator.

We propose a general purpose variational inference algorithm that forms a natural counterpart of gradient descent for optimization. Our method iteratively transports a set of particles to match the target distribution, by applying a form of functional gradient descent that minimizes the KL divergence. Empirical studies are performed on various real world models and datasets, on which our method is competitive with existing state-of-the-art methods. The derivation of our method is based on a new theoretical result that connects the derivative of KL divergence under smooth transforms with Stein's identity and a recently proposed kernelized Stein discrepancy, which is of independent interest.

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