Statistics Applications
Tracking Urban Atmospheric Pollutants using Sentinel-5P Satellite Data
Alice Gomez-Cantos and Henry O. Velesaca
Urban nitrogen dioxide ($NO_2$) is a key indicator of combustion-related air pollution and exhibits strong spatial and temporal variability in cities. This study presents a satellite-based framework for tracking urban $NO_2$ pollution using tropospheric column observations from Sentinel-5P/TROPOMI over Guayas Province, Ecuador. Rather than estimating surface concentrations, the methodology emphasizes robust distributional metrics, including the median and upper-tail percentiles ($P_{90}$, $P_{95}$, and $P_{99}$), to characterize background conditions and localized pollution extremes at the canton scale. Multi-year satellite observations are aggregated annually and analyzed using unsupervised K-means clustering to identify characteristic pollution regimes without predefined thresholds. Results show that highly urbanized cantons consistently exhibit elevated extreme $NO_2$ values and greater variability, while less urbanized areas display lower and more homogeneous patterns. The proposed approach provides an interpretable and scalable tool for urban air-quality assessment in data-scarce regions using satellite observations alone. The implementation is publicly available on GitHub https://hvelesaca.github.io/sentinel-5P-clustering/.
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Statistical Methodology
Rashomon-Seeded Annealing for Robust Bayesian Inference in Factorial Designs
Yiyang Fan, Soumyakanti Pan and Tyler H. McCormick
Integrating over model uncertainty in factorial designs via
Bayesian model averaging is hindered by the combinatorial explosion of interpretable interaction effects, often yielding a
multimodal posterior, where standard Markov chain Monte Carlo
algorithms encounter significant convergence issues. We propose a general computational framework that repurposes Rashomon sets, collections of high-performing models traditionally valued for prediction and interpretability, as a strategic "warm start" for estimating the full posterior. Our method, Rashomon-seeded annealing, initializes annealed importance sampling (AIS) by anchoring the starting density within these pre-identified, high-evidence regions while preserving global support over the entire model space. Rather than restricting inference to the Rashomon set and understating uncertainty, the AIS correction restores full posterior inference, turning the Rashomon certificate from an inferential truncation into a proposal mechanism. We demonstrate this approach using Rashomon Partition Sets (RPS) as a rigorous, certified seed constructor for factorial designs. The resulting
algorithm yields consistent self-normalized posterior summaries, such as model-averaged
cell means, credible intervals, and uncertainty summaries without exhaustive enumeration of the complete model space. This bridges the gap between high-evidence model discovery and rigorous
Bayesian inference, and outlines a general strategy in which any high-posterior seed set can provide computational leverage for AIS-based model averaging.
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Statistics Applications · Cross-listed from cs.SE
More Skills, Worse Agents? Skill Shadowing Degrades Performance When Expanding Skill Libraries
Hongwen Song and Song Wei
Skill libraries allow LLM
agents to load task-specific instructions on demand, letting non-expert users solve domain-specific tasks through natural
language without knowing which skills exist or how they work. However, performance degrades as libraries grow – by up to 21% when scaling from a small set of helpful skills to a 202-skill library. In this work, we formulate this performance degradation as the pass rate drop between loading a library of known-helpful skills and the full library. Moreover, we propose to decompose the pass rate drop by conditioning on the skill(s) invocation – which skills the
agent selects during a trajectory – into two effects: skill shadowing, where the
agent selects wrong skills more often as the library expands, and context overhead, where the enlarged context degrades execution even when selection is correct. We derive upper bounds on both effects to characterize their magnitudes of impacts to the pass rate drop. Our empirical estimates of the effects and their upper bounds both show that the skill shadowing effect grows with library size and significantly contributes to the performance degradation, whereas the context overhead effect remains small and indistinguishable from zero. This observed asymmetry establishes that the skill selection failure, not the enlarged context, is the primary bottleneck when expanding the skill libraries.
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Machine Learning (Statistics)
LLM Sparsity Prior for Robust Feature Selection
Caleb Skinner, Yihan Guo and Meng Li
Large
language models (LLMs) offer a scalable mechanism to elicit domain-informed prior information for high-dimensional variable selection. However, existing methods such as LLM-Lasso are sensitive to weight quality, with performance degrading substantially when LLM-generated weights are inaccurate. To address this challenge, we first introduce a framework for quantifying the quality of LLM-generated weights, enabling rigorous evaluation of LLM-informed methods across varying weight regimes. We then propose the LLM Sparsity Prior (LSP), which integrates LLM-generated weights into the prior inclusion probabilities of Spike-and-Slab and Spike-and-Slab Lasso models via two interpretable hyperparameters governing global sparsity and weight concentration. Hierarchical hyperpriors on these parameters allow the model to dynamically discount uninformative or misleading weights, improving robustness without sacrificing gains when weights are accurate. Finally, we develop principled
prompt engineering strategies and validate the method on a private medical
dataset studying Acute Kidney Injury. LSP improves prediction accuracy and identifies clinically relevant features missed by the baselines, with robustness to
prompt variation and particular effectiveness in low-data regimes.
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Machine Learning (Statistics) · Cross-listed from math.NA
Mode-Shape Expansion Using Physics-Constrained Gaussian Process Regression
Farid Ghahari
This paper addresses the challenge of reconstructing full-field structural mode shapes from sparse sensor data. While Gaussian Process Regression (GPR) offers a robust non-parametric framework for spatial interpolation and uncertainty quantification, standard formulations often yield physically inconsistent mode-shape reconstructions under sparse sensing conditions. A Physics-Constrained Single-Output Gaussian Process (CONS-SOGP) framework is derived that utilizes independent modal kernels while coupling the optimization via a mass-orthogonality penalty. The paper presents derivations for the marginal likelihood, hyperparameter gradients, and penalty coupling. Numerical verification on a multi-degree-of-freedom structure demonstrates that the proposed method overcomes existing limitations in GP-based prediction, providing more accurate and reliable expanded mode shapes.
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Machine Learning (Statistics)
KAPLAN: Kolmogorov-Arnold Prognostic Learnable Activation Networks for Survival Analysis
Stelios Boulitsakis Logothetis, Angela Wood and Pietro Liò
Survival analysis aims to model how
covariates and time jointly shape the time-to-event distribution under right censoring. Classical methods such as the Cox model and generalised additive models (GAMs) require interactions and time-varying effects to be manually specified, which is increasingly impractical on rich clinical
datasets. We introduce KAPLAN-HR, a B-spline Kolmogorov-Arnold Network (KAN) for nonparametric estimation of the conditional hazard as a joint function of
covariates and time. A single-layer KAPLAN-HR model recovers a GAM, while deeper architectures capture interactions and time-varying effects through composition. We establish a convergence rate for the nonparametric KAN hazard
estimator that depends only on the smoothness of the underlying KAN representation and not on the
covariate dimension, thereby mitigating the curse of dimensionality for KAN-representable targets. In evaluations over six clinical
benchmark datasets, KAPLAN-HR matches or exceeds the predictive performance of established statistical and deep learning survival methods.
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Machine Learning (Statistics) · Cross-listed from cs.LG
Anytime Training with Schedule-Free Spectral Optimization
Anuj Apte, Pranav Deshpande, Niraj Kumar et al. (+2 more)
Standard neural network training relies on learning-rate schedules tied to a fixed horizon, leading to strong path dependence and costly re-tuning as data availability changes. Schedule-Free (SF) methods address this by removing explicit schedules, yet SF-AdamW, the current state-of-the-art anytime optimizer, consistently underperforms well-tuned AdamW baselines. We propose SF-NorMuon, a schedule-free spectral optimizer that closes this gap: with a single hyperparameter configuration, SF-NorMuon matches or exceeds tuned AdamW on 125M and 772M parameter
language models across $1$–$8\times$ Chinchilla horizons, and trails horizon-aware, cosine-scheduled NorMuon by only $\sim 0.03$ nats, substantially narrowing the gap between anytime and scheduled spectral optimizers. On the theoretical side, we prove a stationarity guarantee for schedule-free spectral dynamics and identify weight decay at the fast iterate as essential for long-horizon stability. SF-NorMuon enables practitioners to obtain high-quality checkpoints at any point during training without committing to a horizon in advance. Fully matching horizon-aware spectral optimizers without a schedule remains an open problem, which we highlight as a direction for future work. By closing the performance gap with tuned AdamW baselines, SF-NorMuon makes horizon-free optimization more practical, taking a step towards truly open-ended, continual learning.
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All authors Anuj Apte, Pranav Deshpande, Niraj Kumar, Shouvanik Chakrabarti, Junhyung Lyle Kim
Statistics Applications · Cross-listed from cs.HC
StanBKT: Rethinking Parameter Estimation in Bayesian Knowledge Tracing
Siddhartha Pradhan, Yanping Pei, Morgan Lee et al. (+3 more)
Bayesian Knowledge Tracing (BKT) is a widely used and interpretable student modeling approach in intelligent tutoring systems and educational data mining. However, most implementations rely on expectation-maximization or related optimization methods that yield only point estimates, limiting uncertainty quantification and principled comparisons across learners and conditions. We introduce StanBKT, an open-source Python package for estimating BKT models using
Bayesian inference in Stan. StanBKT provides a unified framework supporting
Hamiltonian Monte Carlo, variational inference, Pathfinder, and optimization-based estimation while preserving the hidden Markov structure and interpretability of classical BKT. It supports standard, grouped, and hierarchical BKT models, flexible prior specification, posterior predictive inference, and utilities for visualization and diagnostics. We evaluate StanBKT on large-scale observational and controlled educational
datasets. On the ASSISTments 2020
dataset, we show that supported inference methods achieve comparable predictive performance while differing in computational efficiency and posterior fidelity. We further demonstrate how posterior inference enables principled comparison of condition-specific parameters in an educational intervention involving perceptual cue manipulations. Results illustrate how uncertainty quantification facilitates more reliable interpretation of differences in learning, forgetting, guessing, and slipping parameters across experimental conditions. Overall, StanBKT extends BKT beyond point estimation by providing a flexible framework for probabilistic student modeling, uncertainty quantification, and hierarchical inference in educational data mining.
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All authors Siddhartha Pradhan, Yanping Pei, Morgan Lee, Puyuan Zhang, Erin Ottmar, Adam C. Sales
Machine Learning (Statistics) · Cross-listed from cs.CL
HawkesLLM: Semantic Uncertainty Propagation in Agentic Text Simulation
Zewei Deng, Tinghan Ye and Liyan Xie
Agentic text-simulation systems write in sequence, with each item becoming possible context for later steps. That makes uncertainty path-dependent: an early ambiguity can affect later outputs. This paper studies this problem with HawkesLLM, a framework that separates temporal influence modeling from text generation. We represent the cascade as a network whose nodes are text-generating
agents. A multivariate Hawkes process models how these nodes activate over time and which earlier node outputs should influence later
prompts. A
language model then writes each new event from the compact
memory selected by this temporal model. We evaluate the framework on a held-out Global Database of Events,
Language, and Tone (GDELT) news-cascade case study. The diagnostics track semantic
alignment with local held-out references and separate local drift from global drift. In this setting, HawkesLLM improves late-stage semantic
alignment under a compact
prompt-
memory budget.
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Statistical Methodology
Sample correlation adjustments for robust Multi-fidelity Monte Carlo under limited pilot sampling
Michael Stanley, Thomas Coons, Geoffrey Bomarito et al. (+3 more)
Multi-fidelity Monte Carlo (MFMC) is a variance reduction method that leverages a multi-fidelity ensemble of models of varying cost and accuracy levels. Constructing an MFMC
estimator with optimal variance requires knowledge of the correlation coefficients between the different fidelity models which are not usually known in practice. The correlations are typically estimated using offline pilot samples and the sample correlation formula, after which the MFMC method proceeds as if the estimated correlations are the true correlations. Computational cost often restricts the number of pilot samples used leading to poor correlation estimates and suboptimal
estimators. Leveraging the MFMC problem setting and probabilistic information about the sample covariance
matrix, we present a method to improve standard sample-based correlation estimates in the presence of limited pilot samples. We define a novel discrepancy function quantifying the
estimator suboptimality which in turn facilitates selecting a correlation
estimator minimizing the worst-case expected discrepancy, where the expectation is taken with respect to the pilot sampling variability. Through a simple bivariate Gaussian example and a multi-fidelity modeling application from a NASA Entry, Descent, and Landing (EDL) problem, we show that this method produces better MFMC
estimators than the standard sample covariance under small pilot sample sizes and limited total budgets.
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All authors Michael Stanley, Thomas Coons, Geoffrey Bomarito, Patrick Leser, Joshua Pribe, James Warner
Machine Learning (Statistics) · Cross-listed from q-bio.QM
Uncertainty-aware classification and triage of structural heart disease using electrocardiography and echocardiography metrics
Mitchel J. Colebank
Machine learning methods provide a methodological innovation that can help screen for cardiovascular disease through noninvasive and readily available measurement modalities. Recent investments in using electrocardiogram (ECG) data to screen for structural heart disease (SHD) are one example, where ECGs provide a low-cost, available modality for screening. This has led to the EchoNext
dataset, a paired ECG-echocardiogram data repository for testing new methods of SHD detection. However, relatively few studies have investigated how more probabilistic classification through
Bayesian inference may improve uncertainty quantification in this setting. Moreover, few studies have considered how triage systems can be developed to alleviate healthcare bottlenecks, such as the review of data from underserved, rural clinics by expert sonographers for SHD assessment. In this study, we leverage existing ECG-echocardiogram data to compare frequentist and
Bayesian neural network classifiers. We show that the
Bayesian approach is comparable or better than frequentist methods in SHD classification, and that they have a more robust uncertainty quantification attached to them. We provide an example of how this uncertainty-aware classification scheme can be used for screening SHD, providing a proof-of-concept for how machine learning can help with triage in getting individuals expert sonographer input when SHD is highly likely or measurements are highly uncertain.
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Machine Learning (Statistics)
Diffusion-based Denoising Beats Vanilla Score Matching in Parameter Estimation: A Theoretical Explanation
Benedikt Lütke Schwienhorst, Nadja Klein and Johannes Lederer
Score matching is an alternative to maximum likelihood estimation when the normalizing constant is unknown or too costly to evaluate. However, vanilla score matching has shown to be inefficient relative to maximum likelihood estimation for
multimodal distributions with well-separated modes, which are commonly encountered in practical applications. We compare a novel
diffusion-based denoising score matching
estimator (DDSME) to the vanilla score matching
estimator (SME) in this scenario. In particular, we prove statistical guarantees for both
estimators, showing that the error bound for the vanilla SME worsens when the separation between the modes increases, which can be avoided in case of the DDSME with suitable hyperparameter tuning. This provides a novel theoretical explanation for the superior behavior of
diffusion-based score matching over the vanilla version. We support our theoretical findings by numerical experiments.
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Machine Learning (Statistics) · Cross-listed from cs.LG
Human-Centered Learning Mechanics: Observable Entropy Control under Protected-Risk Constraints
Kim Phuc Tran
Entropy reduction is not a safety criterion: it can leave predictions unchanged or accompany increasing risk for a protected group. We study
entropy-regulated learning under separately specified task, risk, and intervention constraints. A noise-calibrated log-determinant functional yields an exact spectral force formula and a metric decomposition into observable and prediction-null velocities. For scalar feedback, we characterize the complete interval of coefficients preserving a task-descent fraction and meeting an
entropy-rate request; restricting intervention to observable directions can make that interval empty. For several protected risks, we derive an exact minimax certificate of feasibility within a specified subspace and norm budget, an exact robust extension for uncertain constraint rows, and a cone-projection formula for the
entropy reduction remaining after protection. These formulas use standard convex geometry but identify when apparently active
entropy control has no admissible effect. Barrier comparisons, finite-step
curvature and gradient-error margins, and fresh-data audits give distinct conditional guarantees for risk thresholds. Human authority enters through the specification and release policy; the mathematics does not identify compression with
alignment or certify human well-being. A memorization counterexample separates fresh-input information from sample-level information, and a noisy sample-code assumption supports a conditional generalization bound. Reproducible mathematical checks and a small real-data experiment expose both feasible interventions and failures. The resulting theory characterizes admissible
entropy regulation and its limitations, rather than asserting universal accuracy or safety improvements.
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Machine Learning (Statistics) · Cross-listed from cs.LG
The Matching Principle: When Does a Training Penalty Cover Deployment Shift?
Vishal Rajput
Ordinary training optimises the task loss and then stops. It never pays for internal representation energy: Jacobians can stay large in directions that never helped the label, so even small label-preserving noise throws the model off—a design gap that classical noise-injection theory fixes at second order, but only when applied as default regularisation, which current practice does not do. We make that precise with a Matching Principle: name deployment directions (Sigma_task) and the training penalty Sigma', and ask whether the second covers the first. The no-thinking default is even-spread / isotropic penalty (Sigma' proportional to I)—classical Gaussian / Tikhonov at second order: no axis estimate, no architecture change, and—in a simple linear ridge model—strictly less deployment drift than task-only training, with no coverage miss by construction. When axes are known, matching is sharper; when they are missed, a residual floor remains. Across seven domains a named second-moment penalty beats unregularised training; a controlled illustration recovers match > even-spread > wrong-axis when axes are forced. The ridge
theorems are proved; deep nets remain experiments under a specified perturbation. Design rule: fix internal energy by default (even-spread); match when axes are known; treat losses that control representation sensitivity as first-class design.
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Machine Learning (Statistics)
Finite-Particle Convergence Rates for Conservative and Non-Conservative Drifting Models
Krishnakumar Balasubramanian
We analyze finite-particle drifting models for one-step generative modeling. For a conservative velocity given by the difference of the kernel-smoothed data and model scores, a joint-
entropy identity yields continuous-time bounds for the smoothed Fisher discrepancy and the squared particle velocity. The finite-particle correction involves reciprocal kernel density estimates. We give local-occupancy conditions and exact expectation bounds, and show that these expectations diverge for full-support initial densities in a shrinking-bandwidth regime. Keeping the bandwidth dependence of the quadrature constants explicit yields a conditional root residual-velocity rate of $N^{-1/(d+4)}$ under uniform regularity, with a corresponding rate under weaker quadrature growth conditions. We also analyze the original displacement field with the exact Laplace kernel. A companion kernel gives a weighted coercivity estimate that accommodates the unbounded empirical scale and the kernel's nondifferentiability. Localization controls the particle velocity, while relative scale
alignment absorbs the mismatch into dissipation. Both analyses quantify the size of an additional drift correction under explicit regularity and stability assumptions.
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Statistical Computation · Cross-listed from cs.LG
SDPM: Survival Diffusion Probabilistic Model for Continuous-Time Survival Analysis
Stanislav R. Kirpichenko, Andrei V. Konstantinov and Lev V. Utkin
Survival analysis aims to estimate a time-to-event distribution from data with censored observations. Many existing methods either impose structural assumptions on the hazard function or discretize the time axis, which may limit flexibility and introduce approximation errors. We propose the Survival
Diffusion Probabilistic Model (SDPM), a generative approach to continuous-time survival analysis. SDPM models the conditional distribution of the survival outcome, represented by the pair of observed time and censoring indicator, $\mathbb{P}(T,\delta \mid \mathbf{x})$, using a denoising
diffusion model. Under the assumption of conditionally independent censoring, conditional samples generated by the model can be transformed into survival function estimates using the Kaplan-Meier
estimator. This formulation avoids parametric assumptions on the event-time distribution and does not require a discretization of the output time space. The model operates in a transformed target space, using standardized log-times and a continuous Gaussian-mixture representation of the censoring indicator. We evaluate SDPM on ten real survival
datasets and compare it with five strong baselines, including tree-based, boosting-based, and neural survival models. Results show that SDPM achieves competitive predictive performance across C-index, integrated time-dependent AUC, and integrated Brier score. A study on synthetic Cox-Weibull data demonstrates that SDPM can recover the shape of an underlying continuous survival distribution more accurately than a strong nonparametric baseline when sufficiently many samples are generated. An ablation study confirms the importance of the proposed target-space transformations, which improve event-rate calibration, reduce invalid generated times, and provide consistent gains in predictive discrimination. Codes implementing the proposed model are publicly available.
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Machine Learning (Statistics) · Cross-listed from cs.LG
Uniform Diffusion Models Revisited: Leave-One-Out Denoiser and Absorbing State Reformulation
Samson Gourevitch, Yazid Janati, Dario Shariatian et al. (+4 more)
Discrete
diffusion models are often trained through clean-data prediction, but the prediction can be used in different ways to define the reverse dynamics. In Masked
Diffusion Models (MDM) these choices largely coincide, whereas in Uniform
Diffusion Models (UDM) they do not. We show that the standard plug-in bridge parameterization for UDM is not optimized by the denoising posterior, but by a leave-one-out posterior that predicts each clean
token without using its own noisy observation. This identifies a mismatch between the plug-in ELBO and the usual cross-
entropy denoising objective. We characterize the leave-one-out target and derive exact conversions between the denoiser, the leave-one-out posterior, and the score. These conversions allow us to disentangle parameterization and training objective. Our results also lead to inference improvements without any additional training through an informed predictor-corrector sampler and improved temperature sampling based on the leave-one-out predictor. We further introduce an absorbing-state reformulation of uniform
diffusion that preserves the UDM joint law while decomposing it into masked-
diffusion-like sampling operations, with simpler denoising posteriors, carry-over unmasking, and a natural remasking mechanism. On
language modeling, leave-one-out parameterizations consistently improve UDM generation, while the absorbing construction matches or surpasses masked
diffusion. These results suggest that the empirical gap between masked and uniform
diffusion is driven less by the choice of marginals themselves than by parameterization and sampling design. The code and models can be found at https://github.com/samsongourevitch/rev_udm.
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All authors Samson Gourevitch, Yazid Janati, Dario Shariatian, Umut Simsekli, Eric Moulines, Eric P. Xing, Alain Durmus
Machine Learning (Statistics) · Cross-listed from cs.LG
Plug-in Losses for Evidential Deep Learning: A Simplified Framework for Uncertainty Estimation that Includes the Softmax Classifier
Berk Hayta, Hannah Laus, Simon Mittermaier et al. (+1 more)
Real-world sensor-based learning systems require uncertainty estimation that is both reliable and computationally efficient. Evidential Deep Learning (EDL) provides single-pass uncertainty estimation by modeling the class probabilities via Dirichlet distributions, where the Dirichlet parameters are predicted by a learned neural network mapping. However, this approach can lead to computational challenges, as Dirichlet expected objectives are more complex than standard supervised learning losses, complicating their analysis and implementation. We address this issue by approximating the objective of the first-order empirical risk minimization problem induced by EDL with a plug-in loss evaluated at the Dirichlet mean and show that, under mild assumptions, the approximation error decays with growing evidence for a broad class of loss functions, including mean-squared error and cross-
entropy loss. As a special case, our analysis provides justification for the use of softmax in the context of uncertainty estimation, since under a particular evidence-to-Dirichlet mapping, our framework includes the standard softmax classifier. We validate the proposed simplified objectives on the Google
Speech Commands
dataset and show that they achieve predictive accuracy and selective prediction performance comparable to classical EDL, while being simpler to implement using standard deep learning losses and training pipelines. To the best of our knowledge, this empirical analysis is the first to obtain coverage-accuracy trade-offs for
speech recognition tasks through EDL.
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All authors Berk Hayta, Hannah Laus, Simon Mittermaier, Felix Krahmer
Machine Learning (Statistics) · Cross-listed from cs.LG
Proxy-Based Approximation of Shapley and Banzhaf Interactions
Santo M. A. R. Thies, Hubert Baniecki, R. Teal Witter et al. (+3 more)
Shapley and Banzhaf interactions capture the complex dynamics inherent in modern machine learning applications. However, current
estimators for these higher-order interactions trade off between speed and accuracy. To overcome this limitation, we introduce ProxySHAP. ProxySHAP reconciles the high sample efficiency of tree-based proxy models with a principled path to consistency via residual correction. On a theoretical level, we derive a
polynomial-time generalization of interventional TreeSHAP to compute exact interaction indices for tree ensembles, successfully bypassing exponential tree-depth dependencies in prior methods. Furthermore, we formally analyze the residual adjustment strategy, characterizing the specific conditions under which Maximum Sample Reuse (MSR) corrects proxy bias without its variance scaling exponentially with interaction size. Extensive benchmarking demonstrates that ProxySHAP sets a new state-of-the-art standard for approximation quality, including in large-scale applications with thousands of features. By achieving the lowest error in both small- and large-budget regimes, ProxySHAP significantly outperforms the prior best
estimators ProxySPEX and KernelSHAP-IQ, while also delivering superior performance on downstream explainability tasks.
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All authors Santo M. A. R. Thies, Hubert Baniecki, R. Teal Witter, Eyke Hüllermeier, Maximilian Muschalik, Fabian Fumagalli