Statistics Theory
Mixed exponential statistical structures and their approximation operators
Yurii Volkov, Oleksandr Volkov and Nataliia Voinalovych
The paper examines the construction and analysis of a new class of mixed exponential statistical structures that combine the properties of
stochastic models and linear positive operators. The relevance of the topic is driven by the growing need to develop a unified theoretical framework capable of describing both continuous and discrete random structures that possess approximation properties. The aim of the study is to introduce and analyze a generalized family of mixed exponential statistical structures and their corresponding linear positive operators, which include known operators as particular cases. We define auxiliary statistical structures B and H through differential relations between their elements, and construct the main Phillips-type structure. Recurrent relations for the central moments are obtained, their properties are established, and the convergence and approximation accuracy of the constructed operators are investigated. The proposed approach allows mixed exponential structures to be viewed as a generalization of known statistical systems, providing a unified analytical and
stochastic description. The results demonstrate that mixed exponential statistical structures can be used to develop new classes of positive operators with controllable preservation and approximation properties. The proposed methodology forms a basis for further research in constructing multidimensional statistical structures, analyzing operators in weighted spaces, and studying their asymptotic characteristics.
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Machine Learning (Statistics) · Cross-listed from cs.LG
Bayesian Optimization for Function-Valued Responses under Min-Max Criteria
Pouya Ahadi, Reza Marzban, Ali Adibi et al. (+1 more)
Bayesian optimization is widely used for optimizing expensive black box functions, but most existing approaches focus on scalar responses. In many scientific and engineering settings the response is functional, varying smoothly over an index such as time or wavelength, which makes classical formulations inadequate. Existing methods often minimize integrated error, which captures average performance but neglects worst case deviations. To address this limitation we propose min-max Functional
Bayesian Optimization (MM-FBO), a framework that directly minimizes the maximum error across the functional domain. Functional responses are represented using functional principal component analysis, and Gaussian process surrogates are constructed for the principal component scores. Building on this representation, MM-FBO introduces an integrated uncertainty acquisition function that balances exploitation of worst case expected error with exploration across the functional domain. We provide two theoretical guarantees: a discretization bound for the worst case objective, and a consistency result showing that as the surrogate becomes accurate and uncertainty vanishes, the acquisition converges to the true min-max objective. We validate the method through experiments on synthetic
benchmarks and physics inspired case studies involving electromagnetic scattering by metaphotonic devices and vapor phase infiltration. Results show that MM-FBO consistently outperforms existing baselines and highlights the importance of explicitly modeling functional uncertainty in
Bayesian optimization.
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All authors Pouya Ahadi, Reza Marzban, Ali Adibi, Kamran Paynabar
Machine Learning (Statistics) · Cross-listed from cs.LG
FermiGrad-SVD: An LLM Compression Pipeline with Global Rank Selection and Gauge Fixing
Roman Rausch, David Jansen, Sukhbinder Singh et al. (+1 more)
Low-rank factorization of weight
matrices is a promising approach to compress large
language models (LLMs), but its practical effectiveness depends on allocating ranks across layers and efficiently representing the resulting factors. We introduce three complementary methods for improving SVD-based LLM compression. First, FermiGrad formulates global layer-wise rank allocation as a differentiable optimization problem by replacing discrete singular-value truncation with continuous
Fermi gates. Because FermiGrad optimizes only rank parameters over precomputed low-rank factors, it avoids repeated activation decompositions and backpropagation through SVD operations. Second, the Targeted Compressor extends FermiGrad with a task-specific objective that directs limited model capacity toward a selected domain. At 60% parameter density for Llama-3.1-8B-Instruct, SciQ-targeted compression achieves 60% MMLU accuracy, exceeding the reported quantized Dobi-SVD result by 10 percentage points, while deliberately trading performance on unrelated tasks for domain specialization. Third, PivGa provides a lossless secondary compression of low-rank factors by exploiting the gauge freedom in their parametrization. The proposed framework is modular, computationally efficient, and applicable at scale, as demonstrated by compressing Llama-3.3-70B-Instruct to 50% parameter density.
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All authors Roman Rausch, David Jansen, Sukhbinder Singh, Román Orús
Statistical Methodology
A Non-Bipartite Matching Framework for Difference-in-Differences with General Treatment Types
Siyu Heng, Yuan Huang and Hyunseung Kang
Difference-in-differences (DID) is one of the most widely used causal inference frameworks in observational studies. However, most existing DID methods are designed for binary treatments and cannot be readily applied to non-binary treatment settings. Although recent work has begun to extend DID to non-binary (e.g., continuous) treatments, these approaches typically require strong additional assumptions, including parametric outcome models or the presence of idealized comparison units with (nearly) static treatment levels over time (commonly called “stayers” or “quasi-stayers”). In this technical note, we introduce a new non-bipartite matching framework for DID that naturally accommodates general treatment types (e.g., binary, ordinal, or continuous). Our framework makes three main contributions. First, we develop an optimal non-bipartite matching design for DID that jointly balances baseline
covariates across comparable units (reducing bias) and maximizes contrasts in treatment trajectories over time (improving efficiency). Second, we establish a post-matching randomization condition, the design-based counterpart to the traditional parallel-trends assumption, which enables valid design-based inference. Third, we introduce the sample average DID ratio, a finite-population-valid and fully nonparametric causal estimand applicable to arbitrary treatment types. Our design-based approach that preserves the full treatment-dose information, avoids parametric assumptions, does not rely on the existence of stayers or quasi-stayers, and operates entirely within a finite-population framework, without appealing to hypothetical super-populations or outcome distributions.
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Statistics Applications
Survey-Based Estimation of Probe Group Sizes in the Network Scale-up Method: A Case Study from Jordan
Ian Laga
Estimating the size of marginalized populations is a persistent challenge in survey statistics and public health, especially where stigma and legal restrictions exclude such groups from census and administrative data. Migrant domestic workers in Jordan represent one such population. We employ the Network Scale-up Method using the direct probe group method, estimating probe group sizes from survey respondents' own membership rather than relying on external counts. Using data from a nationally representative household survey in Jordan, we combine the direct probe group method with
Bayesian logistic mixed-effects models to stabilize small-area estimates at the Governorate level. We validate the method against census data, demonstrating that direct probe group estimates yield reliable inference and provide a practical alternative where known probe group sizes are unavailable. Our results highlight regional variation in social network size and connectivity to migrant domestic workers. We argue that the direct probe group method is more likely to satisfy the conditions required for unbiased estimation than relying on official record sizes. This work provides the first systematic validation of the direct probe group method in a small-area setting and offers guidance for adapting the Network Scale-up Method to surveys with limited sample sizes.
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Machine Learning (Statistics)
Algorithms and Scientific Software for Quasi-Monte Carlo, Fast Gaussian Process Regression, and Scientific Machine Learning
Aleksei G. Sorokin
Most scientific domains elicit the development of efficient
algorithms and accessible scientific software. This thesis unifies our developments in three broad domains: Quasi-Monte Carlo (QMC) methods for efficient high-dimensional integration, Gaussian process (GP) regression for high-dimensional interpolation with built-in uncertainty quantification, and scientific machine learning (sciML) for modeling partial differential equations (PDEs) with mesh-free solvers. For QMC, we built new
algorithms for vectorized error estimation and developed QMCPy (https://qmcsoftware.github.io/QMCSoftware/): an open-source Python interface to randomized low-discrepancy sequence generators, automatic variable transforms, adaptive error estimation procedures, and diverse use cases. For GPs, we derived new digitally-shift-invariant kernels of higher-order smoothness, developed novel fast multitask GP
algorithms, and produced the scalable Python software FastGPs (https://alegresor.github.io/fastgps/). For sciML, we developed a new
algorithm capable of machine precision recovery of PDEs with random coefficients. We have also studied a number of applications including GPs for probability of failure estimation, multilevel GPs for the Darcy flow equation, neural surrogates for modeling radiative transfer, and fast GPs for
Bayesian multilevel QMC.
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Machine Learning (Statistics)
Sparse Multiple Kernel Learning: Alternating Best Response and Semidefinite Relaxations
Dimitris Bertsimas, Caio de Prospero Iglesias and Nicholas A. G. Johnson
We study Sparse Multiple Kernel Learning (SMKL), which is the problem of selecting a sparse convex combination of prespecified kernels for support vector binary classification. Unlike prevailing l1 regularized approaches that approximate a sparsifying penalty, we formulate the problem by imposing an explicit cardinality constraint on the kernel weights and add an l2 penalty for robustness. We solve the resulting non-convex minimax problem via an alternating best response
algorithm with two subproblems: the alpha subproblem is a standard kernel SVM dual solved via LIBSVM, while the beta subproblem admits an efficient solution via the Greedy Selector and Simplex Projector
algorithm. We reformulate SMKL as a mixed integer semidefinite optimization problem and derive a hierarchy of semidefinite convex relaxations which can be used to certify near-optimality of the solutions returned by our best response
algorithm and also to warm start it. On ten UCI
benchmarks, our method with random initialization outperforms state-of-the-art MKL approaches in out-of-sample prediction accuracy on average by 3.34 percentage points (relative to the best performing
benchmark) while selecting a small number of candidate kernels in comparable runtime. With warm starting, our method outperforms the best performing
benchmark's out-of-sample prediction accuracy on average by 4.05 percentage points. Our convex relaxations provide a certificate that in several cases, the solution returned by our best response
algorithm is the globally optimal solution.
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Machine Learning (Statistics) · Cross-listed from cs.CV
Saddle-Free Guidance: Improved On-Manifold Sampling without Labels or Additional Training
Eric Yeats, Darryl Hannan, Wilson Fearn et al. (+3 more)
Score-based generative models require guidance in order to generate plausible, on-
manifold samples. The most popular guidance method, Classifier-Free Guidance (CFG), is only applicable in settings with labeled data and requires training an additional unconditional score-based model. More recently, Auto-Guidance adopts a smaller, less capable version of the original model to guide generation. While each method effectively promotes the fidelity of generated data, each requires labeled data or the training of additional models, making it challenging to guide score-based models when (labeled) training data are not available or training new models is not feasible. We make the surprising discovery that the positive
curvature of log density estimates in saddle regions provides strong guidance for score-based models. Motivated by this, we develop saddle-free guidance (SFG) which maintains estimates of maximal positive
curvature of the log density to guide individual score-based models. SFG has the same computational cost of classifier-free guidance, does not require additional training, and works with off-the-shelf
diffusion and flow matching models. Our experiments indicate that SFG achieves state-of-the-art FID and FD-DINOv2 metrics in single-model unconditional ImageNet-512 generation. When SFG is combined with Auto-Guidance, its unconditional samples achieve general state-of-the-art in FD-DINOv2 score. Our experiments with FLUX.1-dev and Stable
Diffusion v3.5 indicate that SFG boosts the diversity of output images compared to CFG while maintaining excellent
prompt adherence and image fidelity.
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All authors Eric Yeats, Darryl Hannan, Wilson Fearn, Timothy Doster, Henry Kvinge, Scott Mahan
Statistical Methodology
A simple and powerful test of vaccine waning
Gellért Perényi, Matias Janvin and Mats J. Stensrud
Determining whether vaccine efficacy wanes is important for individual and public decision making. Yet, quantification of waning is a subtle task. The classical approaches cannot be interpreted as measures of declining efficacy unless we impose unreasonable assumptions. Recently, formal causal estimands designed to quantify vaccine waning have been proposed. These estimands can be bounded under weaker assumptions, but the bounds are often too wide to make claims about the presence of waning. We propose a different approach: a formal test to assess whether a treatment effect is constant over time at the individual level. This test provides a considerable power gain over existing approaches and is valid under interpretable assumptions in vaccine trials. We illustrate the increase in power through real and simulated examples, using three different approaches to compute the test statistics. Two of these approaches are based solely on summary data, accessible from existing clinical trials. Beyond our test, we also give new results that bound the waning effect. We use our methods to reanalyze data from a randomized controlled trial of the BNT162b2 COVID-19 vaccine. While prior analysis did not establish waning, our test rejects the null hypothesis of no waning.
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Statistics Applications
Spatial Two-Stage Hierarchical Optimization Analysis for Site Selection of Bitcoin Mining in South Korea
Yoonseul Choi and Jungsoon Choi
South Korea faces the dual challenge of managing growing distributed
solar energy surpluses and the high energy demand of industries like Bitcoin mining. Leveraging mining operations as a flexible load to monetize this `net-metering surplus' presents a viable synergy, but requires a robust site selection methodology. Traditional GIS-based Multi-Criteria Decision Analysis (MCDA) struggles with subjective weighting and integrating heterogeneous spatial data (areal-level and
lattice-level). This thesis develops and implements a Two-Stage Hierarchical Optimization framework to overcome these limitations. Stage 1 (Areal-Level) employs a cost-benefit optimization to determine the optimal number ($K^*$) and combination of regions, maximizing a final adjusted net profit by balancing surplus power revenue against detailed land and non-linear infrastructure costs. Stage 2 (Point-Level) then uses a GIS-based sliding window search within these selected regions, applying topographic (slope $< 6.0^\circ$) and land-use constraints at a 30m resolution to identify physically constructible `unit sites'. The model identified an optimal configuration of $K^*=3$ regions (Yongin, Damyang, Miryang) yielding a maximum potential net profit of approximately \$307 million. Crucially, the Stage 2 screening revealed that Yongin, the most profitable region, was also the most physically constrained, 87% of sites filtered out. This research contributes a scalable, objective framework for energy infrastructure siting that effectively integrates multi-scale spatial data. It provides a data-driven strategy for policymakers and grid operators (like Korea Electric Power Corporation) to monetize curtailed renewables and enhance grid stability.
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Statistics Applications · Cross-listed from cs.DL
From 'Individual Scientist' to 'Integrated Scientist': The Evolution of Scientific Organizational panels and Their Impact on the Scientific System
Zekai Zhang
This article aims to propose and elucidate the analytical concepts of "individual scientist" and "integrated scientist" to depict the fundamental transformation in the modes of scientific research actors throughout the history of science. The "individual scientist" represents an early modern scientific research panel characterized by independence, egalitarian collaboration, and personal recognition, while the "integrated scientist" emerged in the context of "big science," marked by hierarchical teams, division of labor, collaboration, and the concentration of recognition on team leaders. Through historical review and case analysis, this article explores the underlying drivers of this transformation and focuses on its challenges and reconstructions concerning the name-based scientific reward system, aiming to provide a reflective perspective for contemporary scientific governance and research evaluation.
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Machine Learning (Statistics)
On Evolution-Based Models for Experimentation Under Interference
Sadegh Shirani and Mohsen Bayati
Causal effect estimation in networked systems is central to data-driven decision making. In such settings, interventions on one unit can spill over to others, and in complex physical or social systems, the interaction pathways driving these interference structures remain largely unobserved. We argue that for identifying population-level causal effects, it is not necessary to recover the exact network structure; instead, it suffices to characterize how those interactions contribute to the
evolution of outcomes. Building on this principle, we study an
evolution-based approach that investigates how outcomes change across observation rounds in response to interventions, hence compensating for missing network information. Using an exposure-mapping perspective, we give an axiomatic characterization of when the empirical distribution of outcomes follows a low-dimensional recursive equation, and identify minimal structural conditions under which such
evolution mappings exist. We frame this as a distributional counterpart to difference-in-differences. Rather than assuming parallel paths for individual units, it exploits parallel
evolution patterns across treatment scenarios to estimate counterfactual trajectories. A key insight is that treatment randomization plays a role beyond eliminating latent confounding; it induces an implicit sampling from hidden interference channels, enabling consistent learning about heterogeneous spillover effects. We highlight causal message passing as an instantiation of this method in dense networks while extending to more general interference structures, including influencer networks where a small set of units drives most spillovers. Finally, we discuss the limits of this approach, showing that strong temporal trends or endogenous interference can undermine identification.
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Statistics Applications · Cross-listed from cs.AI
Bridging the Unavoidable A Priori: A Framework for Comparative Causal Modeling
Peter S. Hovmand, Kari O'Donnell, Callie Ogland-Hand et al. (+2 more)
AI/ML models have rapidly gained prominence as innovations for solving previously unsolved problems and their unintended consequences from amplifying human biases. Advocates for responsible AI/ML have sought ways to draw on the richer causal models of system dynamics to better inform the development of responsible AI/ML. However, a major barrier to advancing this work is the difficulty of bringing together methods rooted in different underlying assumptions (i.e., Dana Meadow's "the unavoidable a priori"). This paper brings system dynamics and structural equation modeling together into a common mathematical framework that can be used to generate systems from distributions, develop methods, and compare results to inform the underlying epistemology of system dynamics for data science and AI/ML applications.
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All authors Peter S. Hovmand, Kari O'Donnell, Callie Ogland-Hand, Brian Biroscak, Douglas D. Gunzler
Statistics Theory
Uniform inference for kernel instrumental variable regression
Marvin Lob, Rahul Singh and Suhas Vijaykumar
Instrumental variable regression is a foundational tool for causal analysis across the social and biomedical sciences. Recent advances use kernel methods to estimate nonparametric causal relationships, with general data types, while retaining a simple closed-form expression. Empirical researchers ultimately need reliable inference on causal estimates; however, uniform confidence sets for the method remain unavailable. To fill this gap, we develop valid and sharp confidence sets for kernel instrumental variable regression, allowing general nonlinearities and data types. Computationally, our bootstrap procedure requires only a single run of the kernel instrumental variable regression
estimator. Theoretically, it relies on the same key assumptions. Overall, we provide a practical procedure for inference that substantially increases the value of kernel methods for causal analysis.
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Statistical Methodology
Degrees of Freedom in Penalized Regression: Model Selection with Adaptive Penalties
Mauro Bernardi, Antonio Canale and Marco Stefanucci
Model selection in penalized regression critically depends on an accurate assessment of model complexity, commonly quantified through the effective degrees of freedom. While the Lasso admits a simple and unbiased characterization, given by the size of the active set, this property does not extend to adaptive penalization methods, despite the widespread use of this approximation in practice. To solve this issue, in this paper we derive a novel unbiased
estimator of the effective degrees of freedom for the Adaptive Lasso within Stein's unbiased risk estimation framework. Our analysis reveals additional terms induced by data-dependent penalization, reflecting the role of adaptive weights and regularization in determining model complexity. We further revisit the Group Lasso, providing an alternative derivation of its degrees of freedom, and extend these results to the Adaptive Group Lasso. Importantly, we characterize the behavior of the degrees of freedom along the regularization path beyond the orthonormal design setting commonly assumed in the literature, providing a new theoretical description of this behavior under general design
matrices. By correcting the common misuse of active set size as a proxy for degrees of freedom, our results enable more reliable risk estimation and inference, offering a rigorous foundation for understanding model complexity in adaptive penalized regression.
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Statistical Computation
Some aspects of robustness in modern Markov Chain Monte Carlo
Sam Power and Giorgos Vasdekis
Markov Chain Monte Carlo (MCMC) is a flexible approach to approximate sampling from intractable probability distributions, with a rich theoretical foundation and comprising a wealth of exemplar
algorithms. While the qualitative correctness of MCMC
algorithms is often easy to ensure, their practical efficiency is contingent on the `target' distribution being reasonably well-behaved. In this work, we concern ourself with the scenario in which this good behaviour is called into question, reviewing an emerging line of work on `robust' MCMC
algorithms which can perform acceptably even in the face of certain pathologies. We focus on two particular pathologies which, while simple, can already have dramatic effects on standard `local'
algorithms. The first is roughness, whereby the target distribution varies so rapidly that the numerical stability of the
algorithm is tenuous. The second is flatness, whereby the landscape of the target distribution is instead so barren and uninformative that one becomes lost in uninteresting parts of the state space. In each case, we formulate the pathology in concrete terms, review a range of proposed algorithmic remedies to the pathology, and outline promising directions for future research.
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Statistical Methodology
StaRQR-K: False Discovery Rate Controlled Regional Quantile Regression
Sang Kyu Lee, Tongwu Zhang, Hyokyoung G. Hong et al. (+1 more)
Quantifying how genomic features influence different parts of an outcome distribution requires statistical tools that go beyond mean regression, especially in ultrahigh-dimensional settings. Motivated by the study of LINE-1 activity in cancer, we propose StaRQR-K, a stabilized regional
quantile regression framework with model-X knockoffs for false discovery rate control. StaRQR-K identifies CpG sites whose methylation levels are associated with specific
quantile regions of an outcome, allowing detection of heterogeneous and tail-sensitive effects. The method combines an efficient regional
quantile sure independence screening procedure with a winsorizing-based model-X knockoff filter, providing false discovery rate (FDR) control for regional
quantile regression. Simulation studies show that StaRQR-K achieves valid FDR control and substantially higher power than existing approaches. In an application to The Cancer Genome Atlas head and neck cancer cohort, StaRQR-K reveals
quantile-region-specific associations between CpG methylation and LINE-1 activity that improve out-of-sample prediction and highlight genomic regions with known functional relevance.
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All authors Sang Kyu Lee, Tongwu Zhang, Hyokyoung G. Hong, Haolei Weng
Statistical Methodology
Efficient bayesian spatially varying coefficients modeling for censored data using the vecchia approximation
Yacine Mohamed Idir and Thomas Romary
Spatially varying coefficients (SVC) models allow for marginal effects to be non-stationary over space and thus offer a higher degree of flexibility with respect to standard geostatistical models with external drift. At the same time, SVC models have the advantage that they are easily interpretable. They offer a flexible framework for understanding how the relationships between dependent and independent variables vary across space. The most common methods for modelling such data are the Geographically Weighted Regression (GWR) and
Bayesian Gaussian Process (Bayes-GP). The
Bayesian SVC model, which assumes that the coefficients follow Gaussian processes, provides a rigorous approach to account for spatial non-stationarity. However, the computational cost of Bayes-GP models can be prohibitively high when dealing with large
datasets or/and when using a large number of
covariates, due to the repeated inversion of dense covariance
matrices required at each Markov chain Monte Carlo (MCMC) iteration. In this study, we propose an efficient Bayes-GP modeling framework leveraging the Vecchia approximation to reduce computational complexity while maintaining accuracy. The proposed method is applied to a challenging soil pollution data set in Toulouse, France, characterized by a high degree of censorship (two-thirds censored observations) and spatial clustering. Our results demonstrate the ability of the Vecchia-based Bayes-GP model to capture spatially varying effects and provide meaningful insights into spatial heterogeneity, even under the constraints of censored data.
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