Statistical Computation
Sampling with Shielded Langevin Monte Carlo Using Navigation Potentials
Nicolas Zilberstein, Santiago Segarra and Luiz Chamon
We introduce shielded Langevin Monte Carlo (LMC), a constrained sampler inspired by
navigation functions, capable of sampling from unnormalized target distributions defined over punctured supports. In other words, this approach samples from non-convex spaces defined as convex sets with convex holes. This defines a novel and challenging problem in constrained sampling. To do so, the sampler incorporates a combination of a spatially adaptive temperature and a repulsive drift to ensure that samples remain within the feasible region. Experiments on a 2D Gaussian mixture and multiple-input multiple-output (
MIMO) symbol detection showcase the advantages of the proposed shielded LMC in contrast to unconstrained cases.
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Machine Learning (Statistics) · Cross-listed from cs.LG
Towards Unsupervised Causal Representation Learning via Latent Additive Noise Model Causal Autoencoders
Hans Jarett J. Ong, Brian Godwin S. Lim, Dominic Dayta et al. (+2 more)
Unsupervised representation learning seeks to recover latent generative factors, yet standard methods relying on statistical independence often fail to capture causal dependencies. A central challenge is identifiability: as established in disentangled representation learning and nonlinear ICA literature, disentangling causal variables from observational data is impossible without supervision, auxiliary signals, or strong inductive biases. In this work, we propose the Latent Additive Noise Model Causal Autoencoder (LANCA) to operationalize the Additive Noise Model (ANM) as a strong inductive bias for unsupervised discovery. Theoretically, we prove that while the ANM constraint does not guarantee unique identifiability in the general mixing case, it resolves component-wise indeterminacy by restricting the admissible transformations from arbitrary diffeomorphisms to the affine class. Methodologically, arguing that the
stochastic encoding inherent to VAEs obscures the structural residuals required for latent causal discovery, LANCA employs a deterministic Wasserstein Auto-Encoder (WAE) coupled with a differentiable ANM Layer. This architecture transforms residual independence from a passive assumption into an explicit optimization objective. Empirically, LANCA outperforms state-of-the-art baselines on synthetic physics
benchmarks (Pendulum, Flow), and on photorealistic environments (CANDLE), where it demonstrates superior robustness to spurious correlations arising from complex background scenes.
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All authors Hans Jarett J. Ong, Brian Godwin S. Lim, Dominic Dayta, Renzo Roel P. Tan, Kazushi Ikeda
Statistical Methodology
Joint Models with Multiple Markers and Multiple Time-to-event Outcomes Using Variational Approximations
Benjamin Christoffersen, Keith Humphreys, Alessandro Gasparini et al. (+3 more)
Joint models are well suited to modelling linked data from laboratories and health registers. However, there are few examples of joint models that allow for (a) multiple markers, (b) multiple survival outcomes (including terminal events, competing events, and recurrent events), (c) delayed entry and (d) scalability. We propose a full likelihood approach for joint models based on a Gaussian variational approximation to satisfy criteria (a)-(d). We provide an open-source implementation for this approach, allowing for flexible sets of models for the longitudinal markers and survival outcomes. Through simulations, we find that the lower bound for the variational approximation is close to the full likelihood. We also find that our approach and implementation are fast and scalable. We provide an application with a joint model for longitudinal measurements of dense and fatty breast tissue and time to first breast cancer diagnosis. The use of variational approximations provides a promising approach for extending current joint models.
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All authors Benjamin Christoffersen, Keith Humphreys, Alessandro Gasparini, Birzhan Akynkozhayev, Hedvig Kjellström, Mark Clements
Statistical Methodology
Low-rank Covariate Balancing Estimators under Interference
Souhardya Sengupta, Kosuke Imai and Georgia Papadogeorgou
A key methodological challenge in observational studies with interference between units is twofold: (1) each unit's outcome may depend on many others' treatments, and (2) treatment assignments may exhibit complex dependencies across units. We develop a general statistical framework for constructing robust causal effect
estimators to address these challenges. We first show that, without restricting the patterns of interference, the standard inverse probability weighting (IPW)
estimator is the only uniformly unbiased
estimator when the propensity score is known. In contrast, no
estimator has such a property if the propensity score is unknown. We then introduce a low-rank structure of potential outcomes as a broad class of structural assumptions about interference. This framework encompasses common assumptions such as anonymous, nearest-neighbor, and additive interference, while flexibly allowing for more complex study-specific interference assumptions. Under this low-rank assumption, we show how to construct an unbiased weighting
estimator for a large class of causal estimands. The proposed weighting
estimator does not require knowledge of true propensity scores and is therefore robust to unknown treatment assignment dependencies that often exist in observational studies. If the true propensity score is known, we can obtain an unbiased
estimator that is more efficient than the IPW
estimator by leveraging a low-rank structure. We establish the finite sample and asymptotic properties of the proposed weighting
estimator, develop a data-driven procedure to select among candidate low-rank structures, and validate our approach through simulation and empirical studies.
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Statistical Methodology
A latent variable model for identifying and characterizing food adulteration
Alessandro Casa, Thomas Brendan Murphy and Michael Fop
Recently, growing consumer awareness of food quality and sustainability has led to a rising demand for effective food authentication methods. Vibrational spectroscopy techniques have emerged as a promising tool for collecting large volumes of data to detect food adulteration. However, spectroscopic data pose significant challenges from a statistical viewpoint, highlighting the need for more sophisticated modeling strategies. To address these challenges, in this work we propose a latent variable model specifically tailored for food adulterant detection, while accommodating the features of spectral data. Our proposal offers greater granularity with respect to existing approaches, since it does not only identify adulterated samples but also estimates the level of adulteration, and detects the spectral regions most affected by the adulterant. Consequently, the methodology offers deeper insights, and could facilitate the development of portable and faster instruments for efficient data collection in food authenticity studies. The method is applied to both synthetic and real honey mid-infrared spectroscopy data, delivering precise estimates of the adulteration level and accurately identifying which portions of the spectra are most impacted by the adulterant.
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Statistics Theory
Codifference as a measure of dispersion and dependence for mixture models
Jakub Ślęzak
Codifference is a commonly used measure of dependence for stable vectors and processes for which covariance is infinite. However, we argue that it can also be used for other heavy-tail distributions and it provides useful information for other non-Gaussian distributions as well, no matter the tails. Motivated by this, we analyse codifference using as little assumptions as possible about the studied model. It leads us to propose its natural domain and three natural variants of it. Using the wide class of variable scale mixture distributions we argue that the codifference can be interpreted as the measure of bulk properties which ignores the tails much more than the covariance. It can also detect forms of non-linear
memory which covariance cannot. Finally, we show the asymptotic distribution of its
estimator.
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Machine Learning (Statistics)
One Permutation Is All You Need: Fast, Deterministic Feature Importance and Model Stress-Testing
Albert Dorador
Reliable estimation of feature contributions in machine learning models is essential for transparency, algorithmic
fairness, and regulatory compliance. While permutation feature importance is widely used, classical implementations rely on repeated Monte Carlo shuffling, introducing significant computational overhead and
stochastic instability. In this paper, we show that replacing $B$ random permutations with a single, max-min rank-optimal deterministic permutation maintains or improves correlation with ground-truth importance while eliminating estimation variance and reducing complexity from $O(B \cdot n \cdot p)$ to $O(n \cdot p)$. Under location-scale feature distributions, we formally prove exact recovery of scale-adjusted linear regression coefficients, alongside improved importance estimation under concave model sensitivity. We extend this deterministic framework along two complementary dimensions. First, Systemic Feature Importance (SFI) integrates empirical feature correlations to quantify indirect feature reliance through proxy variables. Second, Importance Direction extends scalar importance to a signed, directional representation by measuring concordance between
covariate displacements and output shifts. Extensive empirical validation across nearly 200 simulation scenarios demonstrates superior bias-variance trade-offs in high-dimensional and low signal-to-noise regimes. Finally, two real-world credit risk case studies show how coupling SFI with Importance Direction enables practitioners and regulators to audit models for both the magnitude and net sign of hidden reliance on protected attributes, delivering a principled, transparent, and scalable framework for model governance.
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Statistical Methodology
Bond strength uncertainty quantification via confidence intervals for nondestructive evaluation of bonded composites
Michael C. Stanley, Peter W. Spaeth, James E. Warner et al. (+1 more)
As bonded composite materials are used more frequently for aerospace applications, it is necessary to certify that parts achieve desired levels of certain physical characteristics (e.g., strength) for safety and performance. Nondestructive evaluation (NDE) of adhesively bonded structures enables verification of bond physical characteristics, but uncertainty quantification (UQ) of NDE estimates is crucial for understanding risks, especially for NDE estimates like bond strength. To address the critical need for NDE UQ for adhesive bond strength estimates, we propose an optimization–based approach to computing finite–sample confidence intervals showing the range of bond strengths that could feasibly be produced by the observed data. A statistical inverse model approach is used to compute a confidence interval of specimen interfacial stiffness from swept–frequency ultrasonic phase observations and a method for propagating the interval to bond strength via a known interfacial stiffness regression is proposed. This approach requires innovating the optimization–based confidence interval to handle both a nonlinear forward model and unknown variance and developing a calibration approach to ensure that the final bond strength interval achieves at least the desired coverage level. Using model assumptions in line with current literature, we demonstrate our approach on simulated measurement data using a variety of low to high noise settings under two prototypical parameter settings. Relative to a baseline approach, we show that our method achieves better coverage and smaller intervals in high–noise settings and when a nuisance parameter is near the constraint boundary.
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All authors Michael C. Stanley, Peter W. Spaeth, James E. Warner, Matthew R. Webster
Statistics Applications · Cross-listed from eess.SY
A Fair, Flexible, Zero-Waste Digital Electricity Market: A First-Principles Approach Combining Automatic Market Making, Holarchic Architectures and Shapley Theory
Shaun Sweeney, Robert Shorten and Mark O'Malley
This thesis presents a fundamental rethink of electricity
market design at the wholesale and balancing layers. Rather than treating
markets as static spot clearing mechanisms, it reframes them as a continuously online, event driven dynamical control system: a two sided marketplace operating directly on grid physics. Existing energy only, capacity augmented, and zonal
market designs are shown to admit no shock robust Nash
equilibrium under realistic uncertainty, instead relying on price caps, uplift, and regulatory intervention to preserve solvency and security. In response, the thesis develops a holarchic Automatic
Market Maker (AMM) in which prices are bounded, exogenous control signals derived from physical tightness rather than emergent
equilibrium outcomes. The AMM generalises nodal and zonal pricing through nested scarcity layers, from node to cluster to zone to region to system, such that participant facing prices inherit from the tightest binding constraint. Nodal and zonal pricing therefore emerge as special cases of a unified scarcity propagation rule. Beyond pricing, the AMM functions as a scarcity aware control system and a digitally enforceable rulebook for fair access and proportional allocation under shortage. Fuel costs are recovered through pay as bid energy dispatch consistent with merit order, while non fuel operating and capital costs are allocated according to adequacy, flexibility, and locational contribution. Large scale simulations demonstrate bounded input bounded output stability, controllable procurement costs, zero structural waste, and improved distributional outcomes. The architecture is
climate aligned and policy configurable, but requires a managed transition and new operational tools for system operators and
market participants.
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Machine Learning (Statistics) · Cross-listed from cs.LG
Dropout Neural Network Training Viewed from a Percolation Perspective
Finley Devlin and Jaron Sanders
In this work, we investigate the existence and effect of percolation in training deep Neural Networks (NNs) with dropout. Dropout methods are regularisation techniques for training NNs, first introduced by G. Hinton et al. (2012). These methods temporarily remove connections in the NN, randomly at each stage of training, and update the remaining subnetwork with
Stochastic Gradient Descent (SGD). The process of removing connections from a network at random is similar to percolation, a paradigm model of statistical physics. If dropout were to remove enough connections such that there is no path between the input and output of the NN, then the NN could not make predictions informed by the data. We study new percolation models that mimic dropout in NNs and characterise the relationship between network
topology and this path problem. The theory shows the existence of a percolative effect in dropout. We also show that this percolative effect can cause a breakdown when training NNs without biases with dropout; and we argue heuristically that this breakdown extends to NNs with biases.
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Statistical Methodology
Parameter Estimation for Partially Observed Stable Continuous-State Branching Processes
Eduardo Gutiérrez-Peña, Carlos Octavio Pérez-Mendoza, Alan Riva Palacio et al. (+1 more)
In this article, we present a novel inference framework for estimating the parameters of Continuous-State Branching Processes (CSBPs). We do so by leveraging their subordinator representation. Our method reformulates the estimation problem by shifting the
stochastic dynamics to the associated subordinator, enabling a parametric estimation procedure without requiring additional assumptions. This reformulation allows for efficient numerical recovery of the likelihood function via Laplace transform inversion, even in models where closed-form transition densities are unavailable. In addition to offering a flexible approach to parameter estimation, we propose a dynamic simulation framework that generates discrete-time trajectories of CSBPs using the same subordinator-based structure.
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All authors Eduardo Gutiérrez-Peña, Carlos Octavio Pérez-Mendoza, Alan Riva Palacio, Arno Siri-Jégousse
Statistics Applications
Understanding statistics for biomedical research through the lens of replication
Huw Llewelyn
Clinicians and scientists have traditionally focussed on whether their findings will be replicated and are very familiar with the concept. The probability that a replication study yields an effect with the same sign, or the same statistical significance as an original study depends on the sum of the variances of the effect estimates. On this basis, when P equals 0.025 one-sided and the replication study has the same sample size and variance as the original study, the probability of achieving a one-sided P is less than or equal to 0.025 a second time is only about 0.283, consistent with currently observed modest replication rates. A higher replication probability would require a larger sample size than that derived from current single variance power calculations. However, if the replication study is based on an infinitely large sample size and thus has negligible variance then the probability that its estimated mean is same sign is 1 - P = 0.975. The
reasoning is made clearer by changing continuous distributions to discretised scales and probability masses, thus avoiding ambiguity and improper flat priors. This perspective is consistent with Frequentist and
Bayesian interpretations and also requires further
reasoning when testing scientific hypotheses and making decisions.
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Machine Learning (Statistics) · Cross-listed from cs.CV
Time-aware UNet and super-resolution deep residual networks for spatial downscaling
Mika Sipilä, Sabrina Maggio, Sandra De Iaco et al. (+3 more)
Satellite data of atmospheric pollutants are often available only at coarse spatial resolution, limiting their applicability in local-scale environmental analysis and decision-making. Spatial downscaling methods aim to transform the coarse satellite data into high-resolution fields. In this work, two widely used deep learning architectures, the super-resolution deep residual network (SRDRN) and the encoder-decoder-based UNet, are considered for spatial downscaling of tropospheric ozone. Both methods are extended with a lightweight temporal module, which encodes observation time using either sinusoidal or radial basis function (RBF) encoding, and fuses the temporal features with the spatial representations in the networks. The proposed time-aware extensions are evaluated against their baseline counterparts in a case study on ozone downscaling over Italy. The results suggest that, while only slightly increasing computational complexity, the temporal modules significantly improve downscaling performance and convergence speed.
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All authors Mika Sipilä, Sabrina Maggio, Sandra De Iaco, Klaus Nordhausen, Monica Palma, Sara Taskinen
Machine Learning (Statistics) · Cross-listed from quant-ph
Quantum oracles give an advantage for identifying classical counterfactuals
Ciarán M. Gilligan-Lee, Yìlè Yīng, Jonathan Richens et al. (+1 more)
We show that
quantum oracles provide an advantage over classical oracles for answering classical counterfactual questions in causal models, or equivalently, for identifying unknown causal parameters such as distributions over functional dependences. In structural causal models with discrete classical variables, observational data and even ideal interventions generally fail to answer all counterfactual questions, since different causal parameters can reproduce the same observational and interventional data while disagreeing on counterfactuals. Using a simple binary example, we demonstrate that if the classical variables of interest are encoded in
quantum systems and the causal dependence among them is encoded in a
quantum oracle, coherently querying the oracle enables the identification of all causal parameters – hence all classical counterfactuals. We generalize this to arbitrary finite cardinalities and prove that coherent probing 1) allows the identification of all two-way joint counterfactuals p(Y_x=y, Y_{x'}=y'), which is not possible with any number of queries to a classical oracle, and 2) provides tighter bounds on higher-order multi-way counterfactuals than with a classical oracle. This work can also be viewed as an extension to traditional
quantum oracle problems such as Deutsch–Jozsa to identifying more causal parameters beyond just, e.g., whether a function is constant or balanced. Finally, we raise the question of whether this
quantum advantage relies on uniquely non-classical features like contextuality. We provide some evidence against this by showing that in the binary case, oracles in some classically-explainable theories like Spekkens' toy theory also give rise to a counterfactual identifiability advantage over strictly classical oracles.
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All authors Ciarán M. Gilligan-Lee, Yìlè Yīng, Jonathan Richens, David Schmid
Machine Learning (Statistics) · Cross-listed from physics.optics
Advancing Machine Learning Optimization of Chiral Photonic Metasurface: Comparative Study of Neural Network and Genetic Algorithm Approaches
Davide Filippozzi, Alexandre Mayer, Nicolas Roy et al. (+2 more)
Chiral photonic metasurfaces provide unique capabilities for tailoring light-matter interactions, which are essential for next-generation photonic devices. Here, we report an advanced optimization framework that combines deep learning and evolutionary
algorithms to significantly improve both the design and performance of
chiral photonic nanostructures. Building on previous work utilizing a three-layer perceptron reinforced learning and
stochastic evolutionary
algorithm with decaying changes and mass extinction for
chiral photonic optimization, our study introduces a refined pipeline featuring a two-output neural network architecture to reduce the trade-off between high
chiral dichroism (CD) and reflectivity. Additionally, we use an improved fitness function, and efficient data augmentation techniques. A comparative analysis between a neural network (NN)-based approach and a genetic
algorithm (GA) is presented for structures of different interface pattern depth, material combinations, and
geometric complexity. We demonstrate a twice higher CD and the impact of both the corner number and the refractive index contrast at the example of a GaP/air and PMMA/air metasurface as a result of superior optimization performance. Additionally, a substantial increase in the number of structures explored within limited computational resources is highlighted, with tailored spectral reflectivity suggested by our electromagnetic simulations, paving the way for
chiral mirrors applicable to polarization-selective light-matter interaction studies.
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All authors Davide Filippozzi, Alexandre Mayer, Nicolas Roy, Wei Fang, Arash Rahimi-Iman
Machine Learning (Statistics) · Cross-listed from econ.EM
From Many Models, One: Macroeconomic Forecasting with Reservoir Ensembles
Giovanni Ballarin, Lyudmila Grigoryeva and Yui Ching Li
Model combination offers an alternative to selecting a single
forecasting model, particularly when individual models are sensitive to random initialization and hyperparameter choices. We study online aggregation through Follow-the-Leader (FTL) and Hedge-type
algorithms, with an application to ensembles of Multi-Frequency Echo State Networks (MFESNs) for macroeconomic
forecasting. On the theoretical side, we derive Hoeffding- and Bernstein-type expected-regret bounds for FTL and decreasing Hedge under independent and $\varphi$-mixing expert losses. Under a positive gap between the best expert's expected loss and those of its competitors, the bounds are uniform in the number of
forecasting rounds and exhibit logarithmic dependence on the number of experts. Monte Carlo experiments investigate the effects of temporal dependence and the separation between experts' expected losses. Empirically, we construct MFESN ensembles for
forecasting U.S. quarterly GDP growth using mixed-frequency macroeconomic and financial indicators. The results show that adaptive aggregation, particularly FTL and AdaHedge, achieves substantial reductions in out-of-sample mean squared
forecasting error relative to individual MFESN models and conventional forecast combinations.
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Machine Learning (Statistics)
Universality of high-dimensional scaling limits of stochastic gradient descent
Reza Gheissari and Aukosh Jagannath
We consider statistical tasks in high dimensions whose loss depends on the data only through its projection into a fixed-dimensional subspace spanned by the parameter vectors and certain ground truth vectors. This includes classifying mixture distributions with cross-
entropy loss with one and two-layer networks, and learning single and multi-index models with one and two-layer networks. When the data is drawn from an isotropic Gaussian mixture distribution, it is known that the
evolution of a finite family of summary statistics under
stochastic gradient descent converges to an autonomous ordinary differential equation (ODE), as the dimension and sample size go to $\infty$ and the step size goes to $0$ commensurately. Our main result is that these ODE limits are universal in that this limit is the same whenever the data is drawn from mixtures of arbitrary product distributions whose first two moments match the corresponding Gaussian distribution, provided the initialization and ground truth vectors are coordinate-delocalized. We complement this by proving two corresponding non-universality results. We provide a simple example where the ODE limits are non-universal if the initialization is coordinate aligned. We also show that the
stochastic differential equation limits arising as fluctuations of the summary statistics around their ODE's fixed points are not universal.
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Statistical Methodology
Empirical comparison of win ratio and joint frailty models for recurrent event endpoints with applications in oncology and cardiology
Adrien Orué, Derek Dinart, Laurent Billot et al. (+2 more)
Composite endpoints that combine recurrent non-fatal events with a terminal event are increasingly used in randomized clinical trials, yet conventional time-to-first event analyses may obscure clinically relevant information. We compared two statistical frameworks tailored to such endpoints: the joint frailty model (JFM) and the last-event assisted recurrent-event win ratio (LWR). The JFM specifies proportional hazards for the recurrent and terminal events linked through a shared frailty, yielding
covariate-adjusted, component-specific hazard ratios that account for informative recurrences and dependence with death. The LWR is a nonparametric, prioritized pairwise comparison that incorporates all observed events over follow-up and summarizes a population-level benefit of treatment while respecting a pre-specified hierarchy between death and recurrences. We first assessed the performance of the methods using simulations that varied both the gamma-frailty variance and the event rates. We next illustrated both approaches using two clinical application examples in oncology and cardiology, highlighting how conclusions depend on whether treatment primarily affects recurrent events, mortality, or both. The JFM provided component-specific estimates, while the LWR led to a summary measure of treatment effect with direction. Power was systematically improved with JFM, which thus appeared as the most reliable approach for inference and sample size estimation. Methodological extensions of the LWR to appropriately handle censoring and to formalize causal estimands remain a promising direction for future research.
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All authors Adrien Orué, Derek Dinart, Laurent Billot, Carine Bellera, Virginie Rondeau