Machine Learning (Statistics) · Cross-listed from cs.LG
Decorrelating the Future: Joint Frequency Domain Learning for Spatio-temporal Forecasting
Zepu Wang, Bowen Liao and Jeff Ban
Standard direct
forecasting models typically rely on point-wise objectives such as Mean Squared Error, which fail to capture the complex spatio-temporal dependencies inherent in graph-structured signals. While recent frequency-domain approaches such as FreDF mitigate temporal autocorrelation, they often overlook spatial and cross spatio-temporal interactions. To address this limitation, we propose FreST Loss, a frequency-enhanced spatio-temporal training objective that extends supervision to the joint spatio-temporal spectrum. By leveraging the Joint
Fourier Transform (JFT), FreST Loss aligns model predictions with ground truth in a unified spectral domain, effectively decorrelating complex dependencies across both space and time. Theoretical analysis shows that this formulation reduces estimation bias associated with time-domain training objectives. Extensive experiments on six real-world
datasets demonstrate that FreST Loss is model-agnostic and consistently improves state-of-the-art baselines by better capturing holistic spatio-temporal dynamics.
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Statistical Methodology
Towards Semiparametric Bandwidth Selectors for Kernel Density Estimators
Nils Lid Hjort
There is an intense and partly recent literature focussing on the problem of selecting the bandwidth parameter for kernel density
estimators. Available methods are largely `very nonparametric', in the sense of not requiring any knowledge about the underlying density, or `very parametric', like the normality-based reference rule. This report aims at widening the scope towards the inclusion of many semiparametric bandwidth selectors, via Hermite type expansions aroundthe normal distribution. The resulting bandwidths may be seen as carrying out suitable corrections on the normal reference rule, requiring a low number of extra coefficients to be estimated from data. The present report introduces and discusses some basic ideas and develops the necessary initial theory, but modestly chooses to stop short of giving precise recommendations for specific procedures among the many possible constructions. This will require some further analysis, numerical work, and some simulation-based exploration.
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Machine Learning (Statistics) · Cross-listed from cs.LG
Federated Learning of Nonlinear Temporal Dynamics with Graph Attention-based Cross-Client Interpretability
Ayse Tursucular, Ayush Mohanty, Nazal Mohamed et al. (+1 more)
Networks of modern industrial systems are increasingly monitored by distributed sensors, where each system comprises multiple subsystems that generate high-dimensional time-series. These subsystems are often interdependent, making it important to understand how temporal patterns observed at one subsystem relate to those observed across others. This problem is particularly challenging in decentralized settings where raw measurements cannot be shared, and client observations are heterogeneous. Moreover, in practice, each subsystem (client) operates a fixed, proprietary model that cannot be modified or retrained, limiting the applicability of existing approaches. Separately, nonlinear dynamics make cross-client temporal interdependencies difficult to characterize, as they are embedded implicitly within nonlinear state-transition functions. This paper presents a vertical
federated learning framework for learning one-step-ahead cross-client temporal interdependencies under these constraints. Each client maps high-dimensional local observations to low-dimensional latent states using a nonlinear state-space model, while a Graph
Attention Network (GAT)-based central server learns a state-transition model over the communicated states. Given a candidate graph skeleton, the server learns state-dependent
attention coefficients that capture cross-client interactions. We analytically relate the GAT
attention coefficients to the Jacobian of the learned state-transition model, yielding a first-order characterization of cross-client interdependencies. We further establish bounded closeness of the learned dynamics and Jacobians to a corresponding centralized oracle. Synthetic experiments validate the theoretical results on controlled systems with known graph skeletons. Experiments on real-world
datasets with unknown graph skeletons demonstrate superior
federated root cause analysis over baselines.
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All authors Ayse Tursucular, Ayush Mohanty, Nazal Mohamed, Nagi Gebraeel
Statistical Methodology
Efficient and Debiased Learning of Average Hazard Under Non-Proportional Hazards
Xiang Meng, Lu Tian, Kenneth Kehl et al. (+1 more)
The hazard ratio from the Cox proportional hazards model is a ubiquitous summary of treatment effect. However, when hazards are non-proportional, the hazard ratio can lose a stable causal interpretation and become study-dependent because it effectively averages time-varying effects with weights determined by follow-up and censoring. We consider the average hazard (AH) as an alternative causal estimand: a population-level person-time event rate that remains well-defined and interpretable without assuming proportional hazards. Although AH can be estimated nonparametrically and regression-style adjustments have been proposed, existing approaches do not provide a general framework for flexible, high-dimensional nuisance estimation with valid sqrt{n} inference. We address this gap by developing a semiparametric, doubly robust framework for
covariate-adjusted AH. We establish pathwise differentiability of AH in the nonparametric model, derive its efficient influence function, and construct cross-fitted, debiased
estimators that leverage machine learning for nuisance estimation while retaining asymptotically normal, sqrt{n}-consistent inference under mild product-rate conditions. Simulations demonstrate that the proposed
estimator achieves small bias and near-nominal confidence-interval coverage across proportional and non-proportional hazards settings, including crossing-hazards regimes where Cox-based summaries can be unstable. We illustrate practical utility in comparative effectiveness research by comparing immunotherapy regimens for advanced melanoma using SEER-Medicare linked data.
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All authors Xiang Meng, Lu Tian, Kenneth Kehl, Hajime Uno
Statistics Theory
Intrinsic dimension concentration inequalities for self-adjoint operators
Diego Martinez-Taboada and Aaditya Ramdas
We derive novel concentration inequalities for the operator norm of the sum of self-adjoint operators that do not explicitly depend on the underlying dimension of the operator, but rather an intrinsic notion of it. Our analysis leads to tighter results (in terms of constants) and simplified proofs. Our results unify the current intrinsic-dimension and ambient-dimension inequalities under independence, strictly improving both categories of bounds (such as by Tropp and Minsker). We present a general master
theorem that we instantiate to obtain specific sub-Gaussian, Hoeffding, Bernstein, Bennett, and sub-exponential type inequalities. We also establish widely applicable concentration bounds under martingale dependence that provide tighter control than existing results.
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Statistics Applications · Cross-listed from econ.EM
Inference From Random Restarts
Moeen Nehzati and Diego Cussen
Random-restart heuristics are widely used in nonconvex optimization and
equilibrium computation: practitioners run a local
algorithm from many initial conditions and interpret repeated convergence to the same output as evidence that the result is robust, dominant, or even unique. Despite its widespread use, this
reasoning is usually informal. We provide a probabilistic framework for interpreting restart evidence. We give broad, easy-to-verify sufficient conditions under which repeated runs of a solver can be treated as independent draws from a categorical distribution induced by random initial conditions. Within this framework, we develop
Bayesian inference from repeated identical outputs. We derive posterior concentration rates for basin size and uniqueness. These rates demonstrate that uniqueness is inherently harder than learning basin size: posterior concentration for uniqueness is
polynomial, whereas basin size concentrates exponentially fast. We also provide a verification protocol for checking whether a given problem fits our framework. We demonstrate the protocol on a widely used
equilibrium solver for mixed-logit demand with multi-product firms, and complement the verification exercise with posterior tables that apply to any restart experiment satisfying the protocol. We conclude by delineating limits of restart-based inference, including failures induced by solver–problem mismatch and limited visibility of alternative outcomes.
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Statistical Methodology
Measuring Neural Network Complexity via Effective Degrees of Freedom
Jia Zhou and Douglas Landsittel
Quantifying the complexity of feed-forward neural networks (FFNNs) remains challenging due to their nonlinear, hierarchical structure and numerous parameters. We apply generalized degrees of freedom (GDF) to measure model complexity in FFNNs with binary outcomes, adapting the
algorithm for discrete responses. We compare GDF with both the effective number of parameters derived via log-likelihood cross-validation and the null degrees of freedom of Landsittel et al. Through simulation studies and a real data analysis, we demonstrate that GDF provides a robust assessment of model complexity for neural network models, as it depends only on the sensitivity of fitted values to perturbations in the observed responses rather than on assumptions about the likelihood. In contrast, cross-validation-based estimates of model complexity and the null degrees of freedom rely on the correctness of the assumed likelihood and may exhibit substantial variability. We find that GDF, cross-validation-based measures, and null degrees of freedom yield similar assessments of model complexity only when the fitted model adequately represents the data-generating mechanism. These findings highlight GDF as a stable and broadly applicable measure of model complexity for neural networks in statistical modeling.
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Machine Learning (Statistics)
Metabolic cost of information processing in Poisson variational autoencoders
Hadi Vafaii and Jacob L. Yates
Computation in biological systems is fundamentally energy-constrained, yet standard theories of computation treat energy as freely available. Here, we argue that variational free energy minimization under a Poisson assumption offers a principled path toward an energy-aware theory of computation. Our key observation is that the Kullback-Leibler (KL) divergence term in the Poisson free energy objective becomes proportional to the prior firing rates of model
neurons, yielding an emergent metabolic cost term that penalizes high baseline activity. This structure couples an abstract information-theoretic quantity – the *coding rate* – to a concrete biophysical variable – the *firing rate* – which enables a trade-off between coding fidelity and energy expenditure. Such a coupling arises naturally in the Poisson variational autoencoder (P-VAE) – a
brain-inspired generative model that encodes inputs as discrete spike counts and recovers a spiking form of *sparse coding* as a special case – but is absent from standard Gaussian VAEs. To demonstrate that this metabolic cost structure is unique to the Poisson formulation, we compare the P-VAE against Grelu-VAE, a Gaussian VAE with ReLU rectification applied to latent samples, which controls for the non-negativity constraint. Across a systematic sweep of the KL term weighting coefficient $\beta$ and latent dimensionality, we find that increasing $\beta$ monotonically increases sparsity and reduces average spiking activity in the P-VAE. In contrast, Grelu-VAE representations remain unchanged, confirming that the effect is specific to Poisson statistics rather than a byproduct of non-negative representations. These results establish Poisson variational inference as a promising foundation for a resource-constrained theory of computation.
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Machine Learning (Statistics) · Cross-listed from cs.LG
Why is Normalization Preferred? A Worst-Case Complexity Theory for Stochastically Preconditioned SGD under Heavy-Tailed Noise
Yuchen Fang, James Demmel and Javad Lavaei
We develop a worst-case complexity theory for stochastically preconditioned
stochastic gradient descent (SPSGD) and its accelerated variants under heavy-tailed noise, a setting that encompasses widely used adaptive methods such as Adam, RMSProp, and Shampoo. We assume the
stochastic gradient noise has a finite $p$-th moment for some $p \in (1,2]$, and measure convergence after $T$ iterations. While clipping and normalization are parallel tools for stabilizing training of SGD under heavy-tailed noise, there is a fundamental separation in their worst-case properties in stochastically preconditioned settings. We demonstrate that normalization guarantees convergence to a first-order stationary point at rate $\mathcal{O}(T^{-\frac{p-1}{3p-2}})$ when problem parameters are known, and $\mathcal{O}(T^{-\frac{p-1}{2p}})$ when problem parameters are unknown, matching the optimal rates for normalized SGD, respectively. In contrast, we prove that clipping may fail to converge in the worst case due to the statistical dependence between the
stochastic preconditioner and the gradient estimates. To enable the analysis, we develop a novel vector-valued Burkholder-type inequality that may be of independent interest. These results provide a theoretical explanation for the empirical preference for normalization over clipping in large-scale model training.
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Statistical Methodology
Robust Design in the Presence of Aleatoric and Epistemic Uncertainty
Luis G. Crespo
This paper proposes strategies for designing a system whose computational model is subject to aleatory and epistemic uncertainty. Aleatory variables, which are caused by randomness in physical parameters, are draws from a possibly unknown distribution; whereas epistemic variables, which are caused by ignorance in the value of fixed parameters, are free to take any value in a bounded set. Chance-constrained formulations enforcing the system requirements at a finite number of realizations of the uncertain parameters are proposed. These formulations trade off a lower objective value against a reduced robustness by eliminating an optimally chosen subset of such realizations. Risk-aware designs are obtained by accounting for the severity of the requirement violations resulting from this elimination process. Furthermore, we propose a computationally efficient design approach in which the training
dataset is sequentially updated according to the results of high-fidelity reliability analyses of suboptimal designs. Robustness is evaluated by using Monte Carlo analysis and Robust Scenario Theory, with the latter approach accounting for the infinitely many values that the epistemic variables can take.
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Machine Learning (Statistics)
Nonparametric Distribution Regression Re-calibration
Ádám Jung, Domokos M. Kelen and András A. Benczúr
A key challenge in probabilistic regression is ensuring that predictive distributions accurately reflect true empirical uncertainty. Minimizing overall prediction error often encourages models to prioritize informativeness over calibration, producing narrow but overconfident predictions. However, in safety-critical settings, trustworthy uncertainty estimates are often more valuable than narrow intervals. Realizing the problem, several recent works have focused on post-hoc corrections; however, existing methods either rely on weak notions of calibration (such as PIT uniformity) or impose restrictive parametric assumptions on the nature of the error. To address these limitations, we propose a novel nonparametric re-calibration
algorithm based on conditional kernel mean
embeddings, capable of correcting calibration error without restrictive modeling assumptions. For efficient inference with real-valued targets, we introduce a novel characteristic kernel over distributions that can be evaluated in $\mathcal{O}(n \log n)$ time for empirical distributions of size $n$. We demonstrate that our method consistently outperforms prior re-calibration approaches across a diverse set of regression
benchmarks and model classes.
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Machine Learning (Statistics) · Cross-listed from hep-ph
Profiling systematic uncertainties in Simulation-Based Inference with Factorizable Normalizing Flows
Davide Valsecchi, Mauro Donegà and Rainer Wallny
Unbinned likelihood fits maximize the information extracted from experimental data, yet their application in realistic high-dimensional analyses has been fundamentally bottlenecked by the prohibitive computational cost of profiling systematic uncertainties. Furthermore, current machine learning-based inference methods typically estimate scalar parameters, discarding complex high-dimensional correlations. To address this, we propose a general Simulation-Based Inference (SBI) framework that elevates the fit target from scalar parameters to a multivariate Distribution of Interest (DoI), a learnable, invertible transformation of the feature space. We employ Factorizable Normalizing Flows to model systematic variations as parametric deformations, preserving tractability without combinatorial explosion. Crucially, we develop an amortized training strategy that learns the conditional dependence of the DoI on nuisance parameters in a single optimization process, bypassing repetitive training during likelihood scans. To capture the finite-sample statistical variance of the neural network DoI, we introduce a Poisson-bootstrap ensemble, which we marginalize through an averaged likelihood to deliver a complete statistical-plus-systematic uncertainty budget within a single unbinned likelihood. Validated on a synthetic
dataset emulating a high-energy physics measurement, our method demonstrates that rigorous, fully profiled unbinned measurements can now be extended to complete differential distributions. By turning the fit into a functional measurement, this approach offers a powerful, unifying framework for a broad range of tasks conventionally treated as distinct problems, from detector calibration and differential cross-sections to unfolding and continuous parameter estimation.
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Machine Learning (Statistics) · Cross-listed from math.OC
Operator Learning for Families of Finite-State Mean-Field Games
William Hofgard, Asaf Cohen and Mathieu Laurière
Finite-state mean-field games (MFGs) arise as limits of large interacting particle systems and are governed by an MFG system, a coupled forward-backward differential equation consisting of a forward Kolmogorov-Fokker-Planck (KFP) equation describing the population distribution and a backward Hamilton-Jacobi-Bellman (HJB) equation defining the value function. Solving MFG systems efficiently is challenging, with the structure of each system depending on an initial distribution of players and the terminal cost of the game. We propose an operator learning framework that solves parametric families of MFGs, enabling generalization without retraining for new initial distributions and terminal costs. We provide theoretical guarantees on the approximation error, parametric complexity, and generalization performance of our method, based on a novel regularity result for an appropriately defined flow map corresponding to an MFG system. We demonstrate empirically that our framework achieves accurate approximation for two representative instances of MFGs: a cybersecurity example and a high-dimensional quadratic model commonly used as a
benchmark for numerical methods for MFGs.
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Statistical Methodology
A new mixture model for spatiotemporal exceedances with flexible tail dependence
Ryan Li, Emily C. Hector, Brian J. Reich et al. (+1 more)
We propose a new model and estimation framework for spatiotemporal streamflow exceedances above a threshold that flexibly captures asymptotic dependence and independence in the tail of the distribution. We model streamflow using a mixture of processes with spatial, temporal and spatiotemporal asymptotic dependence regimes. A censoring mechanism allows us to use only observations above a threshold to estimate marginal and joint probabilities of extreme events. As the likelihood is intractable, we use simulation-based inference powered by random forests to estimate model parameters from summary statistics of the data. Simulations and modeling of streamflow data from the U.S. Geological Survey illustrate the feasibility and practicality of our approach.
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All authors Ryan Li, Emily C. Hector, Brian J. Reich, Reetam Majumder
Machine Learning (Statistics) · Cross-listed from cs.LG
Learning to Approximate Uniform Facility Location via Graph Neural Networks
Chendi Qian, Christopher Morris, Stefanie Jegelka et al. (+1 more)
Neural networks, particularly message-passing neural networks (MPNNs), are increasingly used as heuristics for hard combinatorial optimization problems. Yet many learning-based methods rely on supervision, reinforcement learning, or gradient
estimators, causing high computational cost, unstable training, or limited guarantees. Classical approximation
algorithms provide worst-case guarantees but are non-differentiable and cannot adapt to structure in natural input distributions. We study this tradeoff through Uniform Facility Location (UniFL), a problem with applications in clustering, summarization, logistics, and supply chains. We propose a fully differentiable MPNN that incorporates approximation-algorithmic principles without solver supervision or discrete relaxations. The model has provable approximation guarantees and empirically improves on standard approximation
algorithms, narrowing the gap to integer linear programming.
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All authors Chendi Qian, Christopher Morris, Stefanie Jegelka, Christian Sohler
Statistical Methodology
Detecting Parameter Instabilities in Functional Concurrent Linear Regression
Rupsa Basu and Sven Otto
We develop methodology to detect structural breaks in the slope function of a concurrent functional linear regression model for functional time series in $C[0,1]$. Our test is based on a CUSUM process of regressor-weighted OLS residual functions. To accommodate both global and local changes, we propose $L^2$- and sup-norm versions, with the sup-norm particularly sensitive to spike-like changes. Under Hölder regularity and weak dependence conditions, we establish a functional strong invariance principle, derive the asymptotic null distribution, and show that the resulting tests are consistent against a broad class of alternatives with breaks in the slope function. Simulation studies illustrate finite-sample size and power. We apply the method to sports data obtained via body-worn sensors from running athletes, focusing on hip and knee joint-angle trajectories recorded during a fatiguing run. As fatigue accumulates, runners adapt their movement patterns, and sufficiently pronounced adjustments are expected to appear as a change point in the regression relationship. In this manner, we illustrate how the proposed tests support interpretable inference for biomechanical functional time series.
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Machine Learning (Statistics)
AdaGrad-Diff: a Corrected Version of the Adaptive Gradient Algorithm for Composite Optimization
Matia Bojovic, Saverio Salzo and Massimiliano Pontil
Vanilla gradient methods are often highly sensitive to the choice of stepsize, which typically requires manual tuning. Adaptive methods alleviate this issue, with AdaGrad being a prominent example. In this work, we first show that, in composite convex optimization, AdaGrad may fail to exploit the Hölder-smoothness of the differentiable term, as its stepsizes may decrease too rapidly, leading to convergence rates arbitrarily close to the nonsmooth $\mathcal O(n^{-1/2})$ rate. Motivated by this limitation, we study AdaGrad-Diff, a block-wise extension of the UniSgd method considered by \cite{rodomanov2024universality}, which accumulates successive gradient differences rather than gradients themselves. In the deterministic Lipschitz-smooth setting, we prove summability of squared gradient differences without assuming bounded iterates, yielding weak convergence to a minimizer in
Hilbert spaces. Moreover, we show that, under $\nu$-Hölder-smoothness, stepsizes decay no faster than $n^{-(1-\nu)/2}$, thereby avoiding AdaGrad's failure mechanism and recovering the standard $\mathcal O(n^{-(1+\nu)/2})$ rate. The same approach recovers known
stochastic convergence rates under a unified condition covering bounded variance and interpolation. Numerical experiments demonstrate that the proposed method is more robust than AdaGrad in several practically relevant settings.
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