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475 papers

#machine learning Preprint Open access Sep 2026

AI-Generated Measurements for Identification and Inference with Missing Data: A Weak Shadow Variable Approach

Across business and social science applications, outcomes are often missing in ways that depend on the unobserved outcomes themselves. In service systems, for example, whether a customer submits a rating depends on the rating they would have provided. Such missing-not-at-random (MNAR) mechanisms make population quantities difficult to identify without strong assumptions on the observation process. Meanwhile, rich unstructured data, such as customer interaction histories, are increasingly available and can be used to construct structured measurements using tools such as large language models (LLMs). In this work, we develop an assumption-lean partial identification framework that uses such measurements as weak shadow variables, defined as outcome-informative proxies that are conditionally independent of missingness given the true outcome and observed covariates. Importantly, they need not accurately predict missing outcomes or satisfy the completeness requirement in the classical shadow variable literature. For identification, we characterize sharp bounds on population quantities through a pair of linear programs. For estimation and inference, we propose a localized penalized estimator that remains feasible under sampling error, and a subsampling algorithm for constructing confidence intervals. In semi-synthetic experiments using real customer-service dialogues, weak-shadow-variable intervals are about 89\% narrower than those without auxiliary information, while their midpoints have around 41\% lower estimation error than classical MNAR methods.

Hongyu Chen, David Simchi-Levi, Ruoxuan Xiong · 0 citations
#machine learning Preprint Open access Sep 2026

Soft Fitted Q-Iteration without Bellman Completeness: Occupancy Reweighting and Temperature Annealing

Fitted \(Q\)-iteration (FQI) is a standard regression-based method for optimal control in offline reinforcement learning, but its stability under function approximation often relies on Bellman completeness, which requires Bellman images of the fitted class to remain in the class. We study Kullback--Leibler (KL)-regularized, or soft, FQI relative to a fixed reference policy without this assumption. Our key insight is that soft control locally inherits the contraction of policy evaluation in a discounted-occupancy norm. At the soft-optimal fixed point, the linearization of the soft Bellman operator is exactly the Bellman operator for the soft-optimal policy, which contracts in its discounted-occupancy norm; projection in the same norm preserves this contraction. Standard soft FQI instead projects under the offline state-action distribution and need not preserve this property. Motivated by this observation, we propose \emph{occupancy-reweighted soft FQI}, which retains standard Bellman targets and least-squares updates while reweighting regressions by discounted-occupancy ratios induced by the current soft policy. Under \(Q\)-function realizability and local regularity, we establish local contraction and finite-sample convergence with estimated ratios, without Bellman completeness. We then use temperature annealing to convert the local result into global convergence from arbitrary initialization: sufficiently high temperature provides a globally contractive starting regime, while gradual cooling connects successive local contraction regions to any prescribed positive target temperature. Under an action-gap margin condition, switching at a fixed positive temperature to hard FQI with refreshed occupancy weights also yields population and finite-sample convergence to the unregularized optimum.

Lars van der Laan, Nathan Kallus · 0 citations
#machine learning Preprint Open access Sep 2026

Fitted Q-Evaluation without Bellman Completeness via Occupancy Weighting

Fitted \(Q\)-evaluation (FQE) is a standard regression-based method for off-policy evaluation, but under distribution shift, value-function realizability alone does not ensure convergence, and existing analyses often require Bellman completeness. We trace this instability to a geometric mismatch: standard FQE projects Bellman targets in the norm induced by the offline distribution, which need not preserve Bellman contraction. We therefore study \emph{occupancy-weighted FQE}, which changes only the regression weights. Weighting by a target-policy discounted occupancy ratio aligns the projection norm with the target-policy dynamics and restores contraction of the population projected Bellman operator. We derive finite-sample guarantees with estimated occupancy ratios and function-class misspecification, separating finite-iteration, statistical, approximation, and ratio-estimation errors. Exact occupancy weighting removes the need for Bellman completeness; with estimated weights, approximate completeness and value-function realizability reduce sensitivity to ratio-estimation error, with exact realizability yielding higher-order dependence. Combining occupancy-weighted FQE with fitted occupancy-ratio evaluation gives an end-to-end guarantee governed by the complexities and direct approximation errors of the value-function and occupancy-ratio classes. Under coverage, joint realizability of these two classes suffices for consistent estimation without Bellman or critic-side completeness. Controlled experiments illustrate the projection-norm mechanism and the finite-sample tradeoff between contraction and coverage.

Lars van der Laan, Nathan Kallus · 0 citations
#machine learning Preprint Open access Sep 2026

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.

Jonas Arruda, Niels Bracher, Ullrich K\"othe et al. · 0 citations
#machine learning Preprint Open access Sep 2026

Test of partial effects for Frechet regression on Bures-Wasserstein manifolds

We propose a novel test for assessing partial effects in Fr\'echet regression with responses lying on the Bures-Wasserstein manifold. Under the null hypothesis, we show that the statistic admits a degenerate V-statistic approximation whose limiting distribution is a weighted mixture of chi-squared random variables, with weights determined by the eigenvalues of an integral operator associated with a reproducing kernel Hilbert space (RKHS) kernel. We establish the asymptotic validity and consistency of the proposed test. Its finite-sample performance is examined through simulation studies. We apply the proposed test to study the effect of age, while controlling for other covariates, on gene co-expression structure in single-cell data.

Haoshu Xu, Hongzhe Li · 0 citations
#machine learning Preprint Open access Sep 2026

Optimal Estimation of Watermark Proportions in Hybrid AI-Human Texts

Text watermarks in large language models (LLMs) are an increasingly important tool for detecting synthetic text and distinguishing human-written content from LLM-generated text. While most existing studies focus on determining whether entire texts are watermarked, many real-world scenarios involve mixed-source texts, which blend human-written and watermarked content. In this paper, we address the problem of optimally estimating the watermark proportion in mixed-source texts. We cast this problem as estimating the proportion parameter in a mixture model based on \emph{pivotal statistics}. First, we show that this parameter is not even identifiable in certain watermarking schemes, let alone consistently estimable. In stark contrast, for watermarking methods that employ continuous pivotal statistics for detection, we demonstrate that the proportion parameter is identifiable under mild conditions. We propose efficient estimators for this class of methods, which include several popular unbiased watermarks as examples, and derive minimax lower bounds for any measurable estimator based on pivotal statistics, showing that our estimators achieve these lower bounds. Through evaluations on both synthetic data and mixed-source text generated by open-source models, we demonstrate that our proposed estimators consistently achieve high estimation accuracy.

Xiang Li, Garrett Wen, Weiqing He et al. · 0 citations
#machine learning Preprint Open access Sep 2026

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.

Justin Bunker, Mark Girolami, Hefin Lambley et al. · 0 citations
#machine learning Preprint Open access Sep 2026

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.

Xinyu Liu, Hai Zhang · 0 citations
#artificial intelligence Preprint Open access Sep 2026

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.

Pablo Lemos, Sammy Sharief, Esmeralda S. Whitammer et al. · 0 citations
#machine learning Preprint Open access Sep 2026

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.

Mingyang Zhou, Zichao Yan, Elliot Layne et al. · 0 citations
#artificial intelligence Preprint Open access Sep 2026

Simulation-Based Evaluation of Energy-Constrained Quantum-Classical Competition

This paper develops a simulation-based framework for evaluating the energy implications of quantum and classical computing firms competing in a market with limited energy resources. We model providers as differentiated Cournot competitors whose feasible service capacity is induced by technology-specific energy scaling laws: polylogarithmic for quantum algorithms that achieve an equivalent computational target and polynomial for classical emulation. For symmetric groups of quantum and classical firms, the equilibrium reduces to a tractable two-equation system that supports large scenario sweeps over market size, technology mix, and hardware coefficients. We characterize the capacity-constrained Nash equilibrium, prove the existence of a demand scale beyond which quantum service becomes more energy efficient, and report numerical experiments calibrated to trapped-ion and Rydberg platforms. The results identify when quantum energy advantage is only asymptotic and when it becomes operationally relevant.

Junyu Liu, Hansheng Jiang, Zuo-Jun Max Shen · 0 citations
#machine learning Preprint Open access Sep 2026

Deep graph kernel point processes over networks

Point process models are widely used for continuous-time discrete-event data, where each data point includes time and additional information called "marks," such as locations, nodes, or event types. We present a new point process model for discrete-event data over networks, built upon Hawkes' classic influence-kernel formulation to capture the effects of historical events on the occurrence of future events. The key idea is to represent the influence kernel using graph neural networks (GNNs), thereby capturing the underlying graph structure while using the strong representation power of GNNs. Compared with prior work that directly models the conditional intensity function using neural networks, our kernel representation captures repeated patterns of event influence more effectively by combining statistical and deep learning models, leading to more efficient model estimation and better predictive performance. Our work significantly extends existing deep spatio-temporal kernels for point process data, which are inapplicable to our setting because their observation spaces are Euclidean rather than graph structured. We present comprehensive experiments on synthetic and real-world data to demonstrate the superior performance of the proposed approach over state-of-the-art methods in predicting future events and uncovering graph structure from the data.

Zheng Dong, Matthew Repasky, Xiuyuan Cheng et al. · 0 citations

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