Machine Learning (Statistics) · Cross-listed from cs.LG
Prediction-Based Markov Violation Scores for Detecting Non-Markovian Observations in Reinforcement Learning
Naveen Mysore
Reinforcement learning
algorithms assume that observations satisfy the Markov property, yet real-world sensors frequently violate this assumption through correlated noise, latency, or partial observability. Standard performance metrics conflate Markov breakdowns with other sources of suboptimality, leaving practitioners without tools to detect such violations. This paper introduces a prediction-based Markov Violation Score (MVS) that quantifies non-Markovian structure in observation trajectories. A random forest first removes nonlinear Markov-compliant dynamics; ridge regression then tests whether historical observations reduce prediction error on the residuals beyond what the current observation provides. The resulting score is bounded in [0, 1] and requires no causal graph construction. Evaluation spans six environments (CartPole, Pendulum, Acrobot, HalfCheetah, Hopper, Walker2d), three
algorithms (PPO, A2C, SAC), controlled AR(1) noise at six intensity levels, and 10 seeds per condition. In post-hoc detection, 7 of 16 environment-
algorithm pairs, primarily high-dimensional locomotion tasks, show significant positive monotonicity between noise intensity and MVS (Spearman rho up to 0.78, confirmed under repeated-measures analysis); under training-time noise, 13 of 16 pairs exhibit statistically significant reward degradation. An inversion phenomenon is documented in low-dimensional environments where the random forest absorbs the noise signal, causing MVS to decrease as true violations grow, a failure mode analyzed in detail. A practical utility experiment demonstrates that MVS correctly identifies partial observability and guides architecture selection, fully recovering performance lost to non-Markovian observations. Source code to reproduce all results is available at https://github.com/NAVEENMN/Markovianes.
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Statistics Theory · Cross-listed from math.OC
The Risk Quadrangle in Optimization: An Overview with Recent Results and Extensions
Bogdan Grechuk, Anton Malandii, Terry Rockafellar et al. (+1 more)
This paper revisits and extends the 2013 development by Rockafellar and Uryasev of the Risk Quadrangle (RQ) as a unified scheme for integrating risk management, optimization, and statistical estimation. The RQ features four stochastics-oriented functionals – risk, deviation, regret, and error, along with an associated statistic, and articulates their revealing and in some ways surprising interrelationships and dualizations. Additions to the RQ framework that have come to light since 2013 are reviewed in a synthesis focused on both theoretical advancements and practical applications. New quadrangles – superquantile, superquantile norm, expectile, biased mean,
quantile symmetric average union, and $\varphi$-divergence-based quadrangles – offer novel approaches to risk-sensitive decision-making across various fields such as machine learning, statistics, finance, and PDE-constrained optimization. The theoretical contribution comes in axioms for “subregularity” relaxing “regularity” of the quadrangle functionals, which is too restrictive for some applications. The main RQ
theorems and connections are revisited and rigorously extended to this more ample framework. Examples are provided in portfolio optimization, regression, and classification, demonstrating the advantages and the role played by duality, especially in ties to robust optimization and generalized
stochastic divergences.
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All authors Bogdan Grechuk, Anton Malandii, Terry Rockafellar, Stan Uryasev
Other Statistics
Network Evolution and National Interests: Global Scientific Reorganization and the Rise of Scientific Nationalism
Caroline Wagner and Xiaojing Cai
The global network of scientific cooperation has undergone major restructuring over the past two decades, with important implications for geopolitics and science policy. China's integration into this network has redistributed positions of influence in ways that challenge zero-sum views of national competition and security. Drawing on structural holes theory and the Bianconi-Barabasi fitness model, we argue that China's entry accelerated an ongoing process of network maturation. As China's scientific capacity expanded, it formed direct collaborations that reduced reliance on U.S. intermediation. Network analysis shows a large decline in U.S. betweenness centrality, while weighted measures remain stable, indicating a loss of brokerage advantages but continued strong bilateral ties. Granger causality tests suggest that China's early participation predicted later structural changes across fields. Results are consistent across six major domains.
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Statistics Theory
Property Of The Beta Modified Weibull Distribution With Six Parameters
Didier Alain Njamen Njomen and Fidel Djongreba Ndikwa
The aim of this article is to determine a new six-parameter Beta Weibull distribution and its various associated functions, namely the cumulative distribution, survival, probability density and hazard functions. Next, we determine the sub-distributions of the new distribution and show that the latter generalizes those of the literature. Finally, numerical simulations were performed and show that the shapes of the density function of the new distribution cover all those in the literature, and the shapes of hazard functions (constant, increasing, decreasing, $\bigcup$-shaped and $\bigcap$-shaped) are represented in the new distribution and encompass all existing distributions.
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Statistical Methodology
Retrospective Counterfactual Prediction by Conditioning on the Factual Outcome: A Cross-World Approach
Juraj Bodik
Retrospective causal questions ask what would have happened to an observed individual had they received a different treatment. We study the problem of estimating $\mu(x,y)=\mathbb{E}[Y(1)\mid X=x,Y(0)=y]$, the expected counterfactual outcome for an individual with
covariates $x$ and observed outcome $y$, and constructing valid prediction intervals under the Neyman-Rubin superpopulation model. This quantity is generally not identified without additional assumptions. To link the observed and unobserved potential outcomes, we work with a cross-world correlation $\rho(x)=cor(Y(1),Y(0)\mid X=x)$; plausible bounds on $\rho(x)$ enable a principled approach to this otherwise unidentified problem. We introduce retrospective counterfactual
estimators $\hat{\mu}_{\rho}(x,y)$ and prediction intervals $C_{\rho}(x,y)$ that asymptotically satisfy $P[Y(1)\in C_{\rho}(x,y)\mid X=x, Y(0)=y]\ge1-\alpha$ under standard causal assumptions. Many common baselines implicitly correspond to endpoint choices $\rho=0$ or $\rho=1$ (ignoring the factual outcome or treating the counterfactual as a shifted factual outcome). Interpolating between these cases through cross-world dependence yields substantial gains in both theory and practice.
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Statistical Methodology
Bayesian factorization via $L_{1/2}$ shrinkage
Shicheng Liu, Qingping Zhou, Yanan Fan et al. (+1 more)
Factor models are widely used for dimension reduction.
Bayesian approaches to these models often place a prior on the factor loadings that allows for infinitely many factors, with loadings increasingly shrunk toward zero as the column index increases. However, existing increasing shrinkage priors often possess complex hierarchical structures that complicate posterior inference. To address this issue, we propose using an $L_{1/2}$ shrinkage prior. We demonstrate that by carefully setting the parameters in the hyper prior of its global shrinkage parameters, the increasing shrinkage property is preserved. Our prior specification is simple, facilitating the construction of an efficient Gibbs sampler for exact posterior inference. For faster computation, we also propose a variational approximation
algorithm. Through numerical studies, we compare our approaches with current popular
Bayesian methods for factor models, demonstrating their merits in terms of accuracy and computational efficiency.
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All authors Shicheng Liu, Qingping Zhou, Yanan Fan, Xiongwen Ke
Statistics Applications
PyINLA: Fast Bayesian Inference for Latent Gaussian Models in Python
Esmail Abdul Fattah, Elias Krainski and Havard Rue
Bayesian inference often relies on Markov chain Monte Carlo (MCMC) methods, particularly required for non-Gaussian data families. When dealing with complex hierarchical models, the MCMC approach can be computationally demanding in workflows that require repeated model fitting or when working with models of large dimensions with limited hardware resources. The Integrated Nested Laplace Approximations (INLA) is a deterministic alternative for models with non-Gaussian data that belong to the class of latent Gaussian models (LGMs), yielding accurate approximations to posterior marginals in many applied settings. The INLA method was implemented in C as a standalone program, inla, that is widely used in R through the INLA package. This paper introduces PyINLA, a dedicated Python package that provides a Pythonic interface directly to the inla program. Therefore, PyINLA enables specifying LGMs, running INLA-based inference, and accessing posterior summaries directly from Python while leveraging the established INLA implementation. We describe the package design and illustrate its use on representative models, including generalized linear mixed models, time series
forecasting, disease mapping, and geostatistical prediction, demonstrating how deterministic
Bayesian inference can be performed in Python using INLA in a way that integrates naturally with common scientific computing workflows.
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Machine Learning (Statistics) · Cross-listed from cs.AI
Quantification of Credal Uncertainty: A Distance-Based Approach
Xabier Gonzalez-Garcia, Siu Lun Chau, Julian Rodemann et al. (+6 more)
Credal sets, i.e., closed convex sets of probability measures, provide a natural framework to represent aleatoric and epistemic uncertainty in machine learning. Yet how to quantify these two types of uncertainty for a given credal set, particularly in multiclass classification, remains underexplored. In this paper, we propose a distance-based approach to quantify total, aleatoric, and epistemic uncertainty for credal sets. Concretely, we introduce a family of such measures within the framework of Integral Probability Metrics (IPMs). The resulting quantities admit clear semantic interpretations, satisfy natural theoretical desiderata, and remain computationally tractable for common choices of IPMs. We instantiate the framework with the total variation distance and obtain simple, efficient uncertainty measures for multiclass classification. In the binary case, this choice recovers established uncertainty measures, for which a principled multiclass generalization has so far been missing. Empirical results confirm practical usefulness, with favorable performance at low computational cost.
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All authors Xabier Gonzalez-Garcia, Siu Lun Chau, Julian Rodemann, Michele Caprio, Krikamol Muandet, Humberto Bustince, Sébastien Destercke, Eyke Hüllermeier, Yusuf Sale
Statistical Methodology
Robust Estimation in Step-Stress Experiments under Weibull Lifetime Distributions
María Jaenada, Juan Millán and Leandro Pardo
Many modern products are highly reliable, often exhibiting long lifetimes. As a result, conducting experiments under normal operating conditions can be prohibitively time-consuming to collect sufficient failure data for robust statistical inference. Accelerated life tests (ALTs) offer a practical solution by inducing earlier failures, thereby reducing the required testing time. In step-stress experiments, a stress factor that accelerates product degradation is identified and systematically increased at predetermined time points, while remaining constant between intervals. Failure data collected under these elevated stress levels is analyzed, and the results are then extrapolated to normal operating conditions. Traditional estimation methods for such data, such as the maximum likelihood
estimator (MLE), are highly efficient under ideal conditions but can be severely affected by outlying or contaminated observations. To address this, we propose the use of Minimum Density Power Divergence
Estimators (MDPDEs) as a robust alternative, offering a balanced trade-off between efficiency and resistance to contamination. The MDPDE framework is extended to mixed distributions and its theoretical properties, including the asymptotic distribution of the model parameters, are derived assuming Weibull lifetimes. The effectiveness of the proposed approach is illustrated through extensive simulation studies, and its practical applicability is further demonstrated using real-world data.
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Statistical Methodology
Conformal Prediction Assessment: A Framework for Conditional Coverage Evaluation and Selection
Zheng Zhou, Xiangfei Zhang, Chongguang Tao et al. (+1 more)
Conformal prediction provides rigorous distribution-free finite-sample guarantees for marginal coverage under the assumption of exchangeability, but may exhibit systematic undercoverage or overcoverage for specific subpopulations. Assessing conditional validity is challenging, as standard stratification methods suffer from the curse of dimensionality. We propose Conformal Prediction Assessment (CPA), a framework that reframes the evaluation of conditional coverage as a supervised learning task by training a reliability
estimator that predicts instance-level coverage probabilities. Building on this
estimator, we introduce the Conditional Validity Index (CVI), which decomposes reliability into safety (undercoverage risk) and efficiency (overcoverage cost). We establish convergence rates for the reliability
estimator and prove the consistency of CVI-based model selection. Extensive experiments on synthetic and real-world
datasets demonstrate that CPA effectively diagnoses local failure modes and that CC-Select, our CVI-based model selection
algorithm, consistently identifies predictors with superior conditional coverage performance.
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All authors Zheng Zhou, Xiangfei Zhang, Chongguang Tao, Yuhong Yang
Statistics Theory
Estimation of Riemannian Quantities from Noisy Data via Density Derivatives
Junhao Chen, Ruowei Li and Zhigang Yao
We study the recovery of
geometric structure from data generated by convolving the uniform measure on a smooth compact submanifold $M\subset\mathbb{R}^D$ with ambient Gaussian noise. Our main result is that several fundamental Riemannian quantities of $M$, including tangent spaces, the intrinsic dimension, and the second fundamental form, are identifiable from derivatives of the noisy density. We first derive uniform small-noise expansions of the data density and its derivatives in a tubular neighborhood of $M$. These expansions show that, at the population level, tangent spaces can be recovered from the density Hessian with $O(\sigma^2)$ error, while the intrinsic dimension can be estimated consistently. We further construct
estimators for the second fundamental form from density derivatives, obtaining $O(d(y,M)+\sigma)$ and $O(d(y,M)+\sigma^2)$ errors for hypersurfaces and submanifolds with arbitrary codimension. At the sample level, we estimate the density and its derivatives by kernel methods in the ambient space and plug them into the population constructions, yielding uniform nonparametric rates in the ambient dimension. Finally, we show that these density-based constructions admit a
geometric interpretation through density-induced ambient metrics, linking the geometry of $M$ to ambient geodesic structure.
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Machine Learning (Statistics)
tBayes-MICE: A Bayesian Approach to Multiple Imputation for Time Series Data
Amuche Ibenegbu, Pierre Lafaye de Micheaux and Rohitash Chandra
Time-series analysis is often affected by missing data, a common problem across several fields, including healthcare and environmental monitoring. Multiple Imputation by Chained Equations (MICE) has been prominent for imputing missing values through "fully conditional specification". We extend MICE using the
Bayesian framework (tBayes-MICE), utilising
Bayesian inference to impute missing values via Markov Chain Monte Carlo (MCMC) sampling to account for uncertainty in MICE model parameters and imputed values. We also include temporally informed initialisation and time-lagged features in the model to respect the sequential nature of time-series data. We evaluate the tBayes-MICE method using two real-world
datasets (AirQuality and PhysioNet), and using both the Random Walk Metropolis (RWM) and the Metropolis-Adjusted Langevin
Algorithm (MALA) samplers. Our results demonstrate that tBayes-MICE reduces imputation errors relative to the baseline methods over all variables and accounts for uncertainty in the imputation process, thereby providing a more accurate measure of imputation error. We also found that MALA mixed better than RWM across most variables, achieving comparable accuracy while providing more consistent posterior exploration. Overall, these findings suggest that the tBayes-MICE framework represents a practical and efficient approach to time-series imputation, balancing increased accuracy with meaningful quantification of uncertainty in various environmental and clinical settings.
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Machine Learning (Statistics) · Cross-listed from math.NA
A Mean Field Games Perspective on Evolutionary Clustering
Alessio Basti, Fabio Camilli and Adriano Festa
We propose a control-theoretic framework for evolutionary clustering based on quasi-stationary Mean Field Games. Each cluster is represented by a probability density whose
evolution is governed by a Fokker–Planck equation, while the associated velocity field is determined through a stationary Hamilton–Jacobi equation. The general formulation does not prescribe a finite-dimensional statistical shape for the component densities, although the number of components is fixed. In the Gaussian specialization, we show that suitable affine dynamics reproduce the mean and covariance trajectories generated by the classical Expectation–Maximization procedure. To improve temporal coherence in the presence of noise and temporary cluster overlaps, we introduce causal and non-causal time-averaged log-likelihood objectives. We also develop a fully density-based numerical implementation for non-Gaussian components. The proposed formulations are assessed on synthetic and real time-dependent
datasets and compared with independent snapshot Expectation–Maximization and with the same method applied to temporally smoothed observations. In the two-dimensional
benchmark, an established evolutionary \(k\)-means method is also included as an external dynamic-clustering baseline.
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Machine Learning (Statistics) · Cross-listed from cs.LG
Spectral-Aware Text-to-Time Series Generation with Billion-Scale Multimodal Meteorological Data
Shijie Zhang
Text-to-time-series generation is particularly important in meteorology, where natural
language offers intuitive control over complex, multi-scale atmospheric dynamics. Existing approaches are constrained by the lack of large-scale, physically grounded
multimodal datasets and by architectures that overlook the spectral-temporal structure of weather signals. We address these challenges with a unified framework for text-guided meteorological time-series generation. First, we introduce MeteoCap-3B, a billion-scale weather
dataset paired with expert-level captions constructed via a Multi-
agent Collaborative Captioning (MACC) pipeline, yielding information-dense and physically consistent annotations. Building on this
dataset, we propose MTransformer, a
diffusion-based model that enables precise semantic control by mapping textual descriptions into multi-band spectral priors through a Spectral
Prompt Generator, which guides generation via frequency-aware
attention. Extensive experiments on real-world
benchmarks demonstrate state-of-the-art generation quality, accurate cross-modal
alignment, strong semantic controllability, and substantial gains in downstream
forecasting under data-sparse and zero-shot settings. Additional results on general time-series
benchmarks indicate that the proposed framework generalizes beyond meteorology.
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Statistical Methodology · Cross-listed from cs.LG
Maximin Learning of Individualized Treatment Effect on Multi-Domain Outcomes
Yuying Lu, Wenbo Fei, Yuanjia Wang et al. (+1 more)
Precision mental health requires treatment decisions that account for heterogeneous symptoms reflecting multiple clinical domains. However, existing methods for estimating individualized treatment effects (ITE) rely on a single summary outcome or a specific set of observed symptoms or measures, which are sensitive to symptom selection and limit generalizability to unmeasured yet clinically relevant domains. We propose DRIFT, a new maximin framework for estimating robust ITEs from high-dimensional item-level data by leveraging latent factor representations and
adversarial learning. DRIFT learns latent constructs via generalized factor analysis, then constructs an anchored on-target uncertainty set that extrapolates beyond the observed measures to approximate the broader hyper-population of potential outcomes. By optimizing worst-case performance over this uncertainty set, DRIFT yields ITEs that are robust to underrepresented or unmeasured domains. We further show that DRIFT is invariant to admissible reparameterizations of the latent factors and admits a closed-form maximin solution, with theoretical guarantees for identification and convergence. In analyses of a randomized controlled trial for major depressive disorder (EMBARC), DRIFT demonstrates superior performance and improved generalizability to external multi-domain outcomes, including side effects and self-reported symptoms not used during training.
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All authors Yuying Lu, Wenbo Fei, Yuanjia Wang, Molei Liu
Machine Learning (Statistics) · Cross-listed from cs.LG
Hierarchy-Guided Topology Latent Flow for Molecular Graph Generation
Urvi Awasthi, Alexander Arjun Lobo and Leonid Zhukov
Generating chemically valid 3D molecules is hindered by discrete bond
topology: small local bond errors can cause global failures (valence violations, disconnections, implausible rings), especially for drug-like molecules with long-range constraints. Many unconditional 3D generators emphasize coordinates and then infer bonds or rely on post-processing, leaving
topology feasibility weakly controlled. We propose Hierarchy-Guided Latent
Topology Flow (HLTF), a planner-executor model that generates bond graphs with 3D coordinates, using a latent multi-scale plan for global context and a constraint-aware sampler to suppress
topology-driven failures. On QM9, HLTF achieves 98.8% atom stability and 92.9% valid-and-unique, improving PoseBusters validity to 94.0% (+0.9 over the strongest reported baseline). On GEOM-DRUGS, HLTF attains 85.5%/85.0% validity/valid-unique-novel without post-processing and 92.2%/91.2% after standardized relaxation, within 0.9 points of the best post-processed baseline. Explicit
topology generation also reduces "false-valid" samples that pass RDKit sanitization but fail stricter checks.
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Statistics Applications
Socioeconomic Drivers of Physical Morbidity Across U.S. Counties: A Spatial Causal Inference Approach
Ranadeep Daw, Hunter N. Evans and Indrabati Bhattacharya
Identifying the causal effects of socioeconomic determinants on population health is of many great interests - from statistical methodology development to public health practitioners and policy developments. The statistical side of the problem needs to address several questions: spatial autocorrelation in both exposures and outcomes, confounding between treatments and
covariates, and the need for geographically logical inference. We address these jointly by using spectral basis functions - Moran Eigenvector Maps and ICAR precision
matrix eigenvectors - within a doubly robust generalized propensity score
estimator for continuous treatments. Applied to 2022 county health data across the U.S. counties, the framework identifies the effect of six chosen predictors on the average physically unhealthy days per month. Possible further applications and methodological extensions are also discussed as future directions from this research.
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Statistical Methodology
Model-free Feature Screening via Revised Chatterjee's Rank Correlation for Ultra-high Dimensional Censored Data
Shuya Chen, Heng Peng and Min Zhou
In large-scale biomedical research, it's common to gather ultra-high dimensional data that includes right-censored survival times. Feature screening has emerged as a crucial statistical technique for handling such data. In this paper, we introduce a straightforward and robust feature screening approach, leveraging the modified Chatterjee's rank correlation, suitable for a broad range of survival models. With reasonably mild regularity assumptions, we establish the properties of sure screening and ranking consistency. The computation involved in our proposed method is quite direct and simple. Through simulation studies and real gene expression data analysis, we demonstrate the superior efficacy of our proposed approach.
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Statistics Applications
Forecastability as an Information-Theoretic Limit on Prediction
Peter Maurice Catt
Forecasting is usually framed as a problem of model choice. This paper starts earlier, asking how much predictive information is available at each horizon. Under logarithmic loss, the answer is exact: the mutual information between the future observation and the declared information set equals the maximum achievable reduction in expected loss. This paper develops the consequences of that identity. Forecastability, defined as this mutual information evaluated across horizons, forms a profile whose shape reflects the dependence structure of the process and need not be monotone. Three structural properties are derived: compression of the information set can only reduce forecastability; the gap between the profile under a finite lag window and the full history gives an exact truncation error budget; and for processes with periodic dependence, the profile inherits the periodicity. Predictive loss decomposes into an irreducible component fixed by the information structure and an approximation component attributable to the method; their ratio defines the exploitation ratio, a normalised diagnostic for method adequacy. The exact equality is specific to log loss, but when forecastability is near zero, classical inequalities imply that no method under any loss can materially improve on the unconditional baseline. The framework provides a theoretical foundation for assessing, prior to any modelling, whether the declared information set contains sufficient predictive information at the horizon of interest.
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Machine Learning (Statistics)
On the Loss Landscape Geometry of Regularized Deep Matrix Factorization: Uniqueness and Sharpness
Anil Kamber and Rahul Parhi
Weight decay is ubiquitous in training deep neural network architectures. Its empirical success is often attributed to capacity control; nonetheless, our theoretical understanding of its effect on the loss landscape and the set of minimizers remains limited. In this paper, we show that $\ell^2$-regularized deep
matrix factorization/deep linear network training problems with squared-error loss admit a unique end-to-end minimizer for all target
matrices subject to factorization, except for a set of Lebesgue measure zero formed by the depth and the regularization parameter. This observation reveals fundamental properties of the loss landscape of regularized deep
matrix factorization problems: the Hessian spectrum is constant across all minimizers of the regularized deep scalar factorization problem with squared-error loss. Moreover, we show that, in regularized deep
matrix factorization problems with squared-error loss, if the target
matrix does not belong to the Lebesgue measure-zero set, then the Frobenius norm of each layer is constant across all minimizers. This, in turn, yields a global lower bound on the trace of the Hessian evaluated at any minimizer of the regularized deep
matrix factorization problem. Furthermore, we establish a critical threshold for the regularization parameter above which the unique end-to-end minimizer collapses to zero.
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Machine Learning (Statistics) · Cross-listed from cs.LG
Conformalized Signal Temporal Logic Inference under Covariate Shift
Yixuan Wang, Danyang Li, Matthew Cleaveland et al. (+2 more)
Signal Temporal Logic (STL) inference learns interpretable logical rules for temporal behaviors in dynamical systems. To ensure the correctness of learned STL formulas, recent approaches have incorporated conformal prediction as a statistical tool for uncertainty quantification. However, most existing methods rely on the assumption that calibration and testing data are identically distributed and exchangeable, an assumption that is frequently violated in real-world settings. This paper proposes a conformalized STL inference framework that explicitly addresses
covariate shift between training and deployment trajectories
dataset. From a technical standpoint, the approach first employs a template-free, differentiable STL inference method to learn an initial model, and subsequently refines it using a limited deployment side
dataset to promote distribution
alignment. To provide validity guarantees under distribution shift, the framework estimates the likelihood ratio between training and deployment distributions and integrates it into an STL-robustness-based weighted conformal prediction scheme. Experimental results on trajectory
datasets demonstrate that the proposed framework preserves the interpretability of STL formulas while significantly improving symbolic learning reliability at deployment time.
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All authors Yixuan Wang, Danyang Li, Matthew Cleaveland, Roberto Tron, Mingyu Cai