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Estimation of Stochastic Optimal Transport Maps

arXiv.org Machine Learning

The optimal transport (OT) map is a geometry-driven transformation between high-dimensional probability distributions which underpins a wide range of tasks in statistics, applied probability, and machine learning. However, existing statistical theory for OT map estimation is quite restricted, hinging on Brenier's theorem (quadratic cost, absolutely continuous source) to guarantee existence and uniqueness of a deterministic OT map, on which various additional regularity assumptions are imposed to obtain quantitative error bounds. In many real-world problems these conditions fail or cannot be certified, in which case optimal transportation is possible only via stochastic maps that can split mass. To broaden the scope of map estimation theory to such settings, this work introduces a novel metric for evaluating the transportation quality of stochastic maps. Under this metric, we develop computationally efficient map estimators with near-optimal finite-sample risk bounds, subject to easy-to-verify minimal assumptions. Our analysis further accommodates common forms of adversarial sample contamination, yielding estimators with robust estimation guarantees. Empirical experiments are provided which validate our theory and demonstrate the utility of the proposed framework in settings where existing theory fails. These contributions constitute the first general-purpose theory for map estimation, compatible with a wide spectrum of real-world applications where optimal transport may be intrinsically stochastic.


Minimization of Functions on Dually Flat Spaces Using Geodesic Descent Based on Dual Connections

arXiv.org Machine Learning

We propose geodesic-based optimization methods on dually flat spaces, where the geometric structure of the parameter manifold is closely related to the form of the objective function. A primary application is maximum likelihood estimation in statistical models, especially exponential families, whose model manifolds are dually flat. We show that an m-geodesic update, which directly optimizes the log-likelihood, can theoretically reach the maximum likelihood estimator in a single step. In contrast, an e-geodesic update has a practical advantage in cases where the parameter space is geodesically complete, allowing optimization without explicitly handling parameter constraints. We establish the theoretical properties of the proposed methods and validate their effectiveness through numerical experiments.


Distributional Shrinkage II: Optimal Transport Denoisers with Higher-Order Scores

arXiv.org Machine Learning

We revisit the signal denoising problem through the lens of optimal transport: the goal is to recover an unknown scalar signal distribution $X \sim P$ from noisy observations $Y = X + ฯƒZ$, with $Z$ being standard Gaussian independent of $X$ and $ฯƒ>0$ a known noise level. Let $Q$ denote the distribution of $Y$. We introduce a hierarchy of denoisers $T_0, T_1, \ldots, T_\infty : \mathbb{R} \to \mathbb{R}$ that are agnostic to the signal distribution $P$, depending only on higher-order score functions of $Q$. Each denoiser $T_K$ is progressively refined using the $(2K-1)$-th order score function of $Q$ at noise resolution $ฯƒ^{2K}$, achieving better denoising quality measured by the Wasserstein metric $W(T_K \sharp Q, P)$. The limiting denoiser $T_\infty$ identifies the optimal transport map with $T_\infty \sharp Q = P$. We provide a complete characterization of the combinatorial structure underlying this hierarchy through Bell polynomial recursions, revealing how higher-order score functions encode the optimal transport map for signal denoising. We study two estimation strategies with convergence rates for higher-order scores from i.i.d. samples drawn from $Q$: (i) plug-in estimation via Gaussian kernel smoothing, and (ii) direct estimation via higher-order score matching. This hierarchy of agnostic denoisers opens new perspectives in signal denoising and empirical Bayes.


Impact of Positional Encoding: Clean and Adversarial Rademacher Complexity for Transformers under In-Context Regression

arXiv.org Machine Learning

Positional encoding (PE) is a core architectural component of Transformers, yet its impact on the Transformer's generalization and robustness remains unclear. In this work, we provide the first generalization analysis for a single-layer Transformer under in-context regression that explicitly accounts for a completely trainable PE module. Our result shows that PE systematically enlarges the generalization gap. Extending to the adversarial setting, we derive the adversarial Rademacher generalization bound. We find that the gap between models with and without PE is magnified under attack, demonstrating that PE amplifies the vulnerability of models. Our bounds are empirically validated by a simulation study. Together, this work establishes a new framework for understanding the clean and adversarial generalization in ICL with PE.


Robust and Sparse Estimation of Unbounded Density Ratio under Heavy Contamination

arXiv.org Machine Learning

We examine the non-asymptotic properties of robust density ratio estimation (DRE) in contaminated settings. Weighted DRE is the most promising among existing methods, exhibiting doubly strong robustness from an asymptotic perspective. This study demonstrates that Weighted DRE achieves sparse consistency even under heavy contamination within a non-asymptotic framework. This method addresses two significant challenges in density ratio estimation and robust estimation. For density ratio estimation, we provide the non-asymptotic properties of estimating unbounded density ratios under the assumption that the weighted density ratio function is bounded. For robust estimation, we introduce a non-asymptotic framework for doubly strong robustness under heavy contamination, assuming that at least one of the following conditions holds: (i) contamination ratios are small, and (ii) outliers have small weighted values. This work provides the first non-asymptotic analysis of strong robustness under heavy contamination.


Debiased Bayesian Inference for High-dimensional Regression Models

arXiv.org Machine Learning

Applied researchers now routinely work with regression models that feature a large number of covariates. A primary inferential goal in econometrics is to estimate the ceteris paribus effect of a specific variable while controlling for other variables (Belloni et al., 2013a, 2018). The prevailing practice interprets the coefficient on a regressor as a causal effect, conditional on the included controls. As the plausibility of conditional unconfoundedness is often argued using a large set of covariates, practitioners have increasingly embraced high-dimensional regression models. This setting has been extensively studied, predominantly using frequentist methods. Bayesian inference, on the other hand, has long been valued for its coherent framework for handling uncertainty in statistical analysis. As highlighted by Rubin (1984), Bayesian methods provide direct answers to many empirical questions by quantifying uncertainty about unknown parameters conditional on the observed data.


WTNN: Weibull-Tailored Neural Networks for survival analysis

arXiv.org Machine Learning

The Weibull distribution is a commonly adopted choice for modeling the survival of systems subject to maintenance over time. When only proxy indicators and censored observations are available, it becomes necessary to express the distribution's parameters as functions of time-dependent covariates. Deep neural networks provide the flexibility needed to learn complex relationships between these covariates and operational lifetime, thereby extending the capabilities of traditional regression-based models. Motivated by the analysis of a fleet of military vehicles operating in highly variable and demanding environments, as well as by the limitations observed in existing methodologies, this paper introduces WTNN, a new neural network-based modeling framework specifically designed for Weibull survival studies. The proposed architecture is specifically designed to incorporate qualitative prior knowledge regarding the most influential covariates, in a manner consistent with the shape and structure of the Weibull distribution. Through numerical experiments, we show that this approach can be reliably trained on proxy and right-censored data, and is capable of producing robust and interpretable survival predictions that can improve existing approaches.


Beyond the Hype: Comparing Lightweight and Deep Learning Models for Air Quality Forecasting

arXiv.org Machine Learning

Accurate forecasting of urban air pollution is essential for protecting public health and guiding mitigation policies. While Deep Learning (DL) and hybrid pipelines dominate recent research, their complexity and limited interpretability hinder operational use. This study investigates whether lightweight additive models -- Facebook Prophet (FBP) and NeuralProphet (NP) -- can deliver competitive forecasts for particulate matter (PM$_{2.5}$, PM$_{10}$) in Beijing, China. Using multi-year pollutant and meteorological data, we applied systematic feature selection (correlation, mutual information, mRMR), leakage-safe scaling, and chronological data splits. Both models were trained with pollutant and precursor regressors, with NP additionally leveraging lagged dependencies. For context, two machine learning baselines (LSTM, LightGBM) and one traditional statistical model (SARIMAX) were also implemented. Performance was evaluated on a 7-day holdout using MAE, RMSE, and $R^2$. Results show that FBP consistently outperformed NP, SARIMAX, and the learning-based baselines, achieving test $R^2$ above 0.94 for both pollutants. These findings demonstrate that interpretable additive models remain competitive with both traditional and complex approaches, offering a practical balance of accuracy, transparency, and ease of deployment.


All Emulators are Wrong, Many are Useful, and Some are More Useful Than Others: A Reproducible Comparison of Computer Model Surrogates

arXiv.org Machine Learning

Accurate and efficient surrogate modeling is essential for modern computational science, and there are a staggering number of emulation methods to choose from. With new methods being developed all the time, comparing the relative strengths and weaknesses of different methods remains a challenge due to inconsistent benchmarking practices and (sometimes) limited reproducibility and transparency. In this work, we present a large-scale, fully reproducible comparison of $29$ distinct emulators across $60$ canonical test functions and $40$ real emulation datasets. To facilitate rigorous, apples-to-apples comparisons, we introduce the R package \texttt{duqling}, which streamlines reproducible simulation studies using a consistent, simple syntax, and automatic internal scaling of inputs. This framework allows researchers to compare emulators in a unified environment and makes it possible to replicate or extend previous studies with minimal effort, even across different publications. Our results provide detailed empirical insight into the strengths and weaknesses of state-of-the-art emulators and offer guidance for both method developers and practitioners selecting a surrogate for new data. We discuss best practices for emulator comparison and highlight how \texttt{duqling} can accelerate research in emulator design and application.


Optimizing Algorithms for Mobile Health Interventions with Active Querying Optimization

arXiv.org Machine Learning

Reinforcement learning in mobile health (mHealth) interventions requires balancing intervention efficacy with user burden, particularly when state measurements (for example, user surveys or feedback) are costly yet essential. The Act-Then-Measure (ATM) heuristic addresses this challenge by decoupling control and measurement actions within the Action-Contingent Noiselessly Observable Markov Decision Process (ACNO-MDP) framework. However, the standard ATM algorithm relies on a temporal-difference-inspired Q-learning method, which is prone to instability in sparse and noisy environments. In this work, we propose a Bayesian extension to ATM that replaces standard Q-learning with a Kalman filter-style Bayesian update, maintaining uncertainty-aware estimates of Q-values and enabling more stable and sample-efficient learning. We evaluate our method in both toy environments and clinically motivated testbeds. In small, tabular environments, Bayesian ATM achieves comparable or improved scalarized returns with substantially lower variance and more stable policy behavior. In contrast, in larger and more complex mHealth settings, both the standard and Bayesian ATM variants perform poorly, suggesting a mismatch between ATM's modeling assumptions and the structural challenges of real-world mHealth domains. These findings highlight the value of uncertainty-aware methods in low-data settings while underscoring the need for new RL algorithms that explicitly model causal structure, continuous states, and delayed feedback under observation cost constraints.