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stat.ML: explore 312 source-linked works published from 2020 to 2026, with original documents and citations.

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Includes records with this source-supplied label or an explicit phrase match in their metadata. Matches indicate a mention, not proof that a paper uses a method or tests a material. Source versions are consolidated by DOI.

Sources: arxiv. Collection updated 2026-09-16. Counts describe this index, not the complete source archives.

Measuring consistency via ensemble margin and local prediction variability: Auditing decision systems in the presence of predictive multiplicity

The Rashomon effect is a machine learning phenomenon where equally accurate models produce different predictions for the same inputs (predictive multiplicity). Existing work primarily focuses on multiplicity within individual models, but in more complex decision systems, the impact of the Rashomon effect is less well understood. In this work, we study multiplicity from the perspective of auditing incorrect ensemble predictions, where the decision to divert an instance for human review is based on a consistency criterion that combines the ensemble margin with a measure of local prediction variability for each constituent model. With mild assumptions about stability and smoothness, we show that the consistency scores of finite ensembles converge to the corresponding consistency score of the expected model from the Rashomon set as the ensemble size and the number of samples used to measure local prediction variability increase. To demonstrate the efficacy of the proposed criterion, we evaluate the framework with respect to transformer models applied to natural language understanding tasks and parameter-efficient fine-tuning of large language models used for tabular data classification tasks. Our experiments show that ensembling models from the Rashomon set substantially reduces the risk of incorrect predictions going unchecked compared with auditing a single model, while incurring only a moderate increase in the number of diversions. Moreover, the auditing behavior of the full Rashomon set can be closely approximated by finite ensembles of relatively modest size, with the risk approaching zero for some datasets. We further demonstrate that the proposed measure exhibits stronger agreement with established predictive multiplicity metrics than existing consistency measures, providing a more reliable way to capture multiplicity in the Rashomon set.

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On the Reliability of Generative Augmentation: A Wasserstein-Based Theoretical and Empirical Study

Generative data augmentation is widely used to mitigate class imbalance, yet its theoretical effect on downstream generalization remains poorly understood. In this work, we develop a statistical framework for conditional generative augmentation and analyze its impact on classification risk. We formalize augmentation as a distribution-mixing process and show that the resulting risk distortion is controlled by both the augmentation strength and the class-conditional Wasserstein discrepancy between real and generated distributions. We further derive a capacity-dependent generalization bound based on Rademacher complexity, revealing an explicit trade-off between hypothesis complexity, augmentation intensity, and generative fidelity. Empirically, we evaluate the framework on binary and multiclass imbalanced classification tasks using Conditional GAN and Conditional WGAN-GP augmentation. Across datasets, CWGAN-GP consistently achieves lower Wasserstein discrepancies than CGAN, indicating improved distributional fidelity. However, improved fidelity does not necessarily translate into superior classification performance, with classical oversampling methods often remaining competitive. These findings support the central theoretical prediction that augmentation reliability is governed by distributional approximation error rather than predictive performance alone. Overall, this work establishes generative augmentation as a distributional perturbation process whose reliability can be quantified through Wasserstein-based measures and supported by finite-sample generalization guarantees. The proposed framework provides a principled foundation for evaluating synthetic data quality beyond classification accuracy alone.

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Variable Selection for Feature-Based Newsvendor

Feature-based newsvendor models use observable covariates to tailor inventory decisions, aiming to balance holding and shortage costs under demand uncertainty. However, high-dimensional feature sets often hinder interpretability and inflate data collection and implementation costs. This paper studies variable selection for the feature-based newsvendor problem under a hard cardinality constraint on the number of selected features. We formulate the resulting $\ell_0$-constrained empirical newsvendor problem with $\ell_2$-regularization, establish its computational hardness, and develop a mixed-integer second-order cone programming reformulation that strengthens the standard Big-$M$ formulation. To enable scalability beyond exact optimization, we develop a randomized-rounding algorithm with a bi-criteria guarantee and a greedy heuristic. Statistically, we provide theoretical analysis of the resulting sparse policy estimator, including finite-sample estimation error, out-of-sample risk bounds, and support recovery guarantees. Extensive experiments on both synthetic and real data illustrate the computational and statistical trade-offs among various baselines. Our results demonstrate that the proposed variable selection framework achieves competitive out-of-sample operational costs while using substantially fewer covariates.

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GFlowNets and variational inference

This paper builds bridges between two families of probabilistic algorithms: (hierarchical) variational inference (VI), which is typically used to model distributions over continuous spaces, and generative flow networks (GFlowNets), which have been used for distributions over discrete structures such as graphs. We demonstrate that, in certain cases, VI algorithms are equivalent to special cases of GFlowNets in the sense of equality of expected gradients of their learning objectives. We then point out the differences between the two families and show how these differences emerge experimentally. Notably, GFlowNets, which borrow ideas from reinforcement learning, are more amenable than VI to off-policy training without the cost of high gradient variance induced by importance sampling. We argue that this property of GFlowNets can provide advantages for capturing diversity in multimodal target distributions.

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Delta-AI: Local objectives for amortized inference in sparse graphical models

We present a new algorithm for amortized inference in sparse probabilistic graphical models (PGMs), which we call $Δ$-amortized inference ($Δ$-AI). Our approach is based on the observation that when the sampling of variables in a PGM is seen as a sequence of actions taken by an agent, sparsity of the PGM enables local credit assignment in the agent's policy learning objective. This yields a local constraint that can be turned into a local loss in the style of generative flow networks (GFlowNets) that enables off-policy training but avoids the need to instantiate all the random variables for each parameter update, thus speeding up training considerably. The $Δ$-AI objective matches the conditional distribution of a variable given its Markov blanket in a tractable learned sampler, which has the structure of a Bayesian network, with the same conditional distribution under the target PGM. As such, the trained sampler recovers marginals and conditional distributions of interest and enables inference of partial subsets of variables. We illustrate $Δ$-AI's effectiveness for sampling from synthetic PGMs and training latent variable models with sparse factor structure.

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PhyloGFN: Phylogenetic inference with generative flow networks

Phylogenetics is a branch of computational biology that studies the evolutionary relationships among biological entities. Its long history and numerous applications notwithstanding, inference of phylogenetic trees from sequence data remains challenging: the high complexity of tree space poses a significant obstacle for the current combinatorial and probabilistic techniques. In this paper, we adopt the framework of generative flow networks (GFlowNets) to tackle two core problems in phylogenetics: parsimony-based and Bayesian phylogenetic inference. Because GFlowNets are well-suited for sampling complex combinatorial structures, they are a natural choice for exploring and sampling from the multimodal posterior distribution over tree topologies and evolutionary distances. We demonstrate that our amortized posterior sampler, PhyloGFN, produces diverse and high-quality evolutionary hypotheses on real benchmark datasets. PhyloGFN is competitive with prior works in marginal likelihood estimation and achieves a closer fit to the target distribution than state-of-the-art variational inference methods. Our code is available at https://github.com/zmy1116/phylogfn.

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PQMass: Probabilistic Assessment of the Quality of Generative Models using Probability Mass Estimation

We propose a likelihood-free method for comparing two distributions given samples from each, with the goal of assessing the quality of generative models. The proposed approach, PQMass, provides a statistically rigorous method for assessing the performance of a single generative model or the comparison of multiple competing models. PQMass divides the sample space into non-overlapping regions and applies chi-squared tests to the number of data samples that fall within each region, giving a p-value that measures the probability that the bin counts derived from two sets of samples are drawn from the same multinomial distribution. PQMass does not depend on assumptions regarding the density of the true distribution, nor does it rely on training or fitting any auxiliary models. We evaluate PQMass on data of various modalities and dimensions, demonstrating its effectiveness in assessing the quality, novelty, and diversity of generated samples. We further show that PQMass scales well to moderately high-dimensional data and thus obviates the need for feature extraction in practical applications.

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Model Selection and Parameter Estimation of One-Dimensional Gaussian Mixture Models

In this paper, we study the problem of learning one-dimensional Gaussian mixture models (GMMs) with a specific focus on estimating both the model order and the mixing distribution from independent and identically distributed (i.i.d.) samples. This paper establishes the optimal sampling complexity for model order estimation in one-dimensional Gaussian mixture models. We prove a fundamental lower bound on the number of samples required to correctly identify the number of components with high probability, showing that this limit depends critically on the separation between component means and the total number of components. We then propose a Fourier-based approach to estimate both the model order and the mixing distribution. Our algorithm utilizes Fourier measurements constructed from the samples, and our analysis demonstrates that its sample complexity matches the established lower bound, thereby confirming its optimality. Numerical experiments further show that our method outperforms conventional techniques in terms of efficiency and accuracy.

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Autoencoders in Function Space

Autoencoders have found widespread application in both their original deterministic form and in their variational formulation (VAEs). In scientific applications and in image processing it is often of interest to consider data that are viewed as functions; while discretisation (of differential equations arising in the sciences) or pixellation (of images) renders problems finite dimensional in practice, conceiving first of algorithms that operate on functions, and only then discretising or pixellating, leads to better algorithms that smoothly operate between resolutions. In this paper function-space versions of the autoencoder (FAE) and variational autoencoder (FVAE) are introduced, analysed, and deployed. Well-definedness of the objective governing VAEs is a subtle issue, particularly in function space, limiting applicability. For the FVAE objective to be well defined requires compatibility of the data distribution with the chosen generative model; this can be achieved, for example, when the data arise from a stochastic differential equation, but is generally restrictive. The FAE objective, on the other hand, is well defined in many situations where FVAE fails to be. Pairing the FVAE and FAE objectives with neural operator architectures that can be evaluated on any mesh enables new applications of autoencoders to inpainting, superresolution, and generative modelling of scientific data.

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Adaptive teachers for amortized samplers

Amortized inference is the task of training a parametric model, such as a neural network, to approximate a distribution with a given unnormalized density where exact sampling is intractable. When sampling is implemented as a sequential decision-making process, reinforcement learning (RL) methods, such as generative flow networks, can be used to train the sampling policy. Off-policy RL training facilitates the discovery of diverse, high-reward candidates, but existing methods still face challenges in efficient exploration. We propose to use an adaptive training distribution (the \teacher) to guide the training of the primary amortized sampler (the \student). The \teacher, an auxiliary behavior model, is trained to sample high-loss regions of the \student and can generalize across unexplored modes, thereby enhancing mode coverage by providing an efficient training curriculum. We validate the effectiveness of this approach in a synthetic environment designed to present an exploration challenge, two diffusion-based sampling tasks, and four biochemical discovery tasks demonstrating its ability to improve sample efficiency and mode coverage. Source code is available at https://github.com/alstn12088/adaptive-teacher.

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Stein's method for marginals on large graphical models

Many spatial models exhibit locality structures that effectively reduce their intrinsic dimensionality, enabling efficient approximation and sampling of high-dimensional distributions. However, existing approximation techniques primarily focus on joint distributions and do not provide precise accuracy control for low-dimensional marginals, which are of primary interest in many practical scenarios. By leveraging the locality structures, we establish a dimension independent uniform error bound for the marginals of approximate distributions. Inspired by the Stein's method, we introduce a novel $δ$-locality condition that quantifies the locality in distributions, and link it to the structural assumptions such as the sparse graphical models. The theoretical guarantee motivates the localization of existing sampling methods, as we illustrate through the localized likelihood-informed subspace method and localized score matching. We show that by leveraging the locality structure, these methods greatly reduce the sample complexity and computational cost via localized and parallel implementations.

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Generalization Bounds for Markov Algorithms through Entropy Flow Computations

Many learning algorithms can be represented as Markov processes, and understanding their generalization error is a central topic in learning theory. For specific continuous-time noisy algorithms, a prominent analysis technique relies on information-theoretic tools and the so-called ``entropy flow'' method. This technique is compatible with a broad range of assumptions and leverages the convergence properties of learning dynamics to produce meaningful generalization bounds, which can also be informative or extend to discrete-time settings. Despite their success, existing entropy flow formulations are limited to specific noise and algorithm structures (\eg, Langevin dynamics). In this work, we exploit new technical tools to extend its applicability to all learning algorithms whose iterative dynamics is governed by a time-homogeneous Markov process. Our approach builds on a principled continuous-time approximation of Markov algorithms and introduces a new, exact entropy flow formula for such processes. Within this unified framework, we establish novel connections to a well-studied family of modified logarithmic Sobolev inequalities, which we use to connect the generalization error to the ergodic properties of Markov processes. Finally, we provide a detailed analysis of all the terms appearing in our theory and demonstrate its effectiveness by deriving new generalization bounds for several concrete algorithms.

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Multi-View Causal Discovery without Non-Gaussianity: Identifiability and Algorithms

Causal discovery is a difficult problem that typically relies on strong assumptions on the data-generating model, such as non-Gaussianity. In practice, many modern applications provide multiple related views of the same system, which has rarely been considered for causal discovery. Here, we leverage this multi-view structure to achieve causal discovery with weak assumptions. We propose a multi-view linear Structural Equation Model (SEM) that extends the well-known framework of non-Gaussian disturbances by alternatively leveraging correlation over views. We prove the identifiability of the model for acyclic SEMs. Subsequently, we propose several multi-view causal discovery algorithms, inspired by single-view algorithms (DirectLiNGAM, PairwiseLiNGAM, and ICA-LiNGAM). The new methods are validated through simulations and applications on neuroimaging data, where they enable the estimation of causal graphs between brain regions.

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Latency-Response Theory Model: Evaluating Large Language Models via Response Accuracy and Chain-of-Thought Length

The proliferation of Large Language Models (LLMs) necessitates valid evaluation methods to provide guidance for both downstream applications and actionable future improvements. The Item Response Theory (IRT) model with Computerized Adaptive Testing has recently emerged as a promising framework for evaluating LLMs via their response accuracy. Beyond simple response accuracy, LLMs' chain of thought (CoT) lengths serve as a vital indicator of their reasoning ability. To leverage the CoT length information to assist LLM evaluation, we propose the \textbf{La}tency-\textbf{R}esponse \textbf{T}heory (LaRT) model, which jointly models both the response accuracy and CoT length by introducing a key correlation parameter between the latent ability and the latent speed. We derive an efficient stochastic approximation Expectation-Maximization algorithm for parameter estimation. We establish rigorous identifiability results for the latent ability and latent speed parameters to ensure the statistical validity of their estimation. Through both theoretical asymptotic analyses and simulation studies, we demonstrate LaRT's advantages over IRT in terms of superior estimation accuracy and shorter confidence intervals for latent trait estimation. To evaluate LaRT in real data, we collect responses from diverse LLMs on popular benchmark datasets. We find that LaRT yields different LLM rankings than IRT and outperforms IRT across multiple key evaluation metrics including predictive power, item efficiency, ranking validity, and LLM evaluation efficiency. Code and data are available at https://github.com/Toby-X/Latency-Response-Theory-Model

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Diffusion Models in Simulation-Based Inference: A Tutorial Review

Diffusion models have recently emerged as powerful learners for simulation-based inference (SBI), enabling fast and accurate estimation of latent parameters from simulated and real data. Their score-based formulation offers a flexible way to learn conditional or joint distributions over parameters and observations, thereby providing a versatile solution to various modeling problems. In this tutorial review, we synthesize recent developments on diffusion models for SBI, covering design choices for training, inference, and evaluation. We highlight opportunities created by various concepts such as guidance, score composition, flow matching, consistency models, and joint modeling. Furthermore, we discuss how efficiency and statistical accuracy are affected by noise schedules, parameterizations, and samplers. Finally, we illustrate these concepts with case studies across parameter dimensionalities, simulation budgets, and model types, and outline open questions for future research.

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Model Selection and Parameter Estimation for Multidimensional Gaussian Mixture Models with a Common Covariance Matrix

We study model-order selection and component-mean estimation for multidimensional Gaussian mixture models with a known common covariance matrix. Using empirical characteristic-function measurements, we construct Fourier covariance matrices whose population counterparts have rank equal to the number of mixture components. We establish a minimax lower bound showing that distinguishing a separated $k$-component mixture from the class of $(k-1)$-component mixtures requires $Ω(Δ^{-(4k-4)})$ samples. We then develop an oracle spectral-thresholding estimator with a sufficient sample size of order $Δ^{-(8k-8)}$ for fixed $k$, together with a practical singular-value-ratio estimator. Given the model order, we estimate the component means by score-initialized gradient descent on a MUSIC-type projection objective. Under an explicit sample-size condition, a qualifying sample initialization lies in a certified attraction region with high probability, after which the iterates converge linearly. For fixed positive component separation, the resulting mean estimates achieve the parametric rate $\mathcal{O}_p(n^{-1/2})$. Numerical experiments demonstrate competitive accuracy and lower computational cost than expectation-maximization across a range of multidimensional settings.

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First-Order Efficiency for Probabilistic Value Estimation via A Statistical Viewpoint

Probabilistic values, including Shapley values and semivalues, provide a model-agnostic framework to attribute the behavior of a black-box model to data points or features, with a wide range of applications including explainable artificial intelligence and data valuation. However, their exact computation requires utility evaluations over exponentially many coalitions, making Monte Carlo approximation essential in modern machine learning applications. Existing estimators are often developed through different representation strategies, including weighted averages, self-normalized weighting, regression adjustment, and weighted least squares. Our key observation is that these seemingly distinct constructions share a common first-order expansion, in which the leading term is determined by the sampling law and a working surrogate function. This first-order representation yields an explicit expression for the leading mean squared error (MSE), which characterizes how the sampling law and the surrogate jointly determine statistical efficiency. Guided by this criterion, we propose an Efficiency-Aware Surrogate-adjusted Estimator (EASE) that directly chooses the sampling law and surrogate to minimize the first-order MSE. We demonstrate that EASE consistently outperforms existing estimators for various probabilistic values.

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DiscoverPhysics: Benchmarking LLMs for Out-of-the-Box Scientific Thinking

Frontier LLMs now perform strongly across a wide range of physics evaluations, but it is hard to disentangle genuine reasoning from recall of established science. We introduce DiscoverPhysics, an interactive benchmark that asks a LLM agent to discover the laws of motion of a simulated world whose physics deliberately deviates from our own. We construct 22 worlds governed by, among others, screened and fractional-power gravity, multi-species couplings, hidden dark-matter-like particles, non-coordinate-free physics, and time-varying interactions. Each world is generated on demand by an N-body simulator, for which the agent proposes several rounds of experiments, observes raw trajectory data, and ultimately submits both a natural-language explanation of the world's physics and a Python implementation of the inferred law. Because solving a world requires the agent to design informative experiments and revise its hypotheses, the benchmark probes long-horizon reasoning over an experimental history. We evaluate submissions along two complementary axes: trajectory MSE on held-out particles and an LLM-judged explanation score following an expert-written rubric assessing conceptual understanding of each world. Across eleven frontier models, we find that the strongest agents pass only half of the worlds and consistently fail on those where latent structure must be uncovered. Open-source models lag substantially behind commercial models, both in their ability to design informative experiments and in extracting conclusions from the data. We further find that good predictive accuracy does not guarantee high explanation quality and that conceptual understanding depends on hypothesis refinement through well-chosen experiments.

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Compare source metadata on this page
WorkPublishedSource identifierSource
Measuring consistency via ensemble margin and local prediction variability: Auditing decision systems in the presence of predictive multiplicity2026-09-012609.01397arxiv
On the Reliability of Generative Augmentation: A Wasserstein-Based Theoretical and Empirical Study2026-09-012609.01410arxiv
Variable Selection for Feature-Based Newsvendor2026-09-012609.01544arxiv
GFlowNets and variational inference2026-08-312210.00580arxiv
Delta-AI: Local objectives for amortized inference in sparse graphical models2026-08-312310.02423arxiv
PhyloGFN: Phylogenetic inference with generative flow networks2026-08-312310.08774arxiv
PQMass: Probabilistic Assessment of the Quality of Generative Models using Probability Mass Estimation2026-08-312402.04355arxiv
Model Selection and Parameter Estimation of One-Dimensional Gaussian Mixture Models2026-08-312404.12613arxiv
Autoencoders in Function Space2026-08-312408.01362arxiv
Adaptive teachers for amortized samplers2026-08-312410.01432arxiv
Stein's method for marginals on large graphical models2026-08-312410.11771arxiv
Generalization Bounds for Markov Algorithms through Entropy Flow Computations2026-08-312502.07584arxiv
Multi-View Causal Discovery without Non-Gaussianity: Identifiability and Algorithms2026-10-222502.20115arxiv
Latency-Response Theory Model: Evaluating Large Language Models via Response Accuracy and Chain-of-Thought Length2026-08-312512.07019arxiv
Diffusion Models in Simulation-Based Inference: A Tutorial Review2026-10-152512.20685arxiv
Model Selection and Parameter Estimation for Multidimensional Gaussian Mixture Models with a Common Covariance Matrix2026-08-312603.19657arxiv
First-Order Efficiency for Probabilistic Value Estimation via A Statistical Viewpoint2026-08-312605.02827arxiv
DiscoverPhysics: Benchmarking LLMs for Out-of-the-Box Scientific Thinking2026-08-312605.26087arxiv

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