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 Statistical Learning


Stochastic Optimization with Optimal Importance Sampling

arXiv.org Machine Learning

Importance Sampling (IS) is a widely used variance reduction technique for enhancing the efficiency of Monte Carlo methods, particularly in rare-event simulation and related applications. Despite its power, the performance of IS is often highly sensitive to the choice of the proposal distribution and frequently requires stochastic calibration techniques. While the design and analysis of IS have been extensively studied in estimation settings, applying IS within stochastic optimization introduces a unique challenge: the decision and the IS distribution are mutually dependent, creating a circular optimization structure. This interdependence complicates both the analysis of convergence for decision iterates and the efficiency of the IS scheme. In this paper, we propose an iterative gradient-based algorithm that jointly updates the decision variable and the IS distribution without requiring time-scale separation between the two. Our method achieves the lowest possible asymptotic variance and guarantees global convergence under convexity of the objective and mild assumptions on the IS distribution family. Furthermore, we show that these properties are preserved under linear constraints by incorporating a recent variant of Nesterov's dual averaging method.


Random Normed k-Means: A Paradigm-Shift in Clustering within Probabilistic Metric Spaces

arXiv.org Machine Learning

Existing approaches remain largely constrained by traditional distance metrics, limiting their effectiveness in handling random data. In this work, we introduce the first k-means variant in the literature that operates within a probabilistic metric space, replacing conventional distance measures with a well-defined distance distribution function. This pioneering approach enables more flexible and robust clustering in both deterministic and random datasets, establishing a new foundation for clustering in stochastic environments. By adopting a probabilistic perspective, our method not only introduces a fresh paradigm but also establishes a rigorous theoretical framework that is expected to serve as a key reference for future clustering research involving random data. Extensive experiments on diverse real and synthetic datasets assess our model's effectiveness using widely recognized evaluation metrics, including Silhouette, Davies-Bouldin, Calinski Harabasz, the adjusted Rand index, and distortion. Comparative analyses against established methods such as k-means++, fuzzy c-means, and kernel probabilistic k-means demonstrate the superior performance of our proposed random normed k-means (RNKM) algorithm. Notably, RNKM exhibits a remarkable ability to identify nonlinearly separable structures, making it highly effective in complex clustering scenarios. These findings position RNKM as a groundbreaking advancement in clustering research, offering a powerful alternative to traditional techniques while addressing a long-standing gap in the literature. By bridging probabilistic metrics with clustering, this study provides a foundational reference for future developments and opens new avenues for advanced data analysis in dynamic, data-driven applications.


Stochastic Variational Inference with Tuneable Stochastic Annealing

arXiv.org Machine Learning

In this paper, we exploit the observation that stochastic variational inference (SVI) is a form of annealing and present a modified SVI approach -- applicable to both large and small datasets -- that allows the amount of annealing done by SVI to be tuned. We are motivated by the fact that, in SVI, the larger the batch size the more approximately Gaussian is the intrinsic noise, but the smaller its variance. This low variance reduces the amount of annealing which is needed to escape bad local optimal solutions. We propose a simple method for achieving both goals of having larger variance noise to escape bad local optimal solutions and more data information to obtain more accurate gradient directions. The idea is to set an actual batch size, which may be the size of the data set, and a smaller effective batch size that matches the larger level of variance at this smaller batch size. The result is an approximation to the maximum entropy stochastic gradient at this variance level. We theoretically motivate our approach for the framework of conjugate exponential family models and illustrate the method empirically on the probabilistic matrix factorization collaborative filter, the Latent Dirichlet Allocation topic model, and the Gaussian mixture model.


Online Multivariate Regularized Distributional Regression for High-dimensional Probabilistic Electricity Price Forecasting

arXiv.org Machine Learning

Probabilistic electricity price forecasting (PEPF) is a key task for market participants in short-term electricity markets. The increasing availability of high-frequency data and the need for real-time decision-making in energy markets require online estimation methods for efficient model updating. We present an online, multivariate, regularized distributional regression model, allowing for the modeling of all distribution parameters conditional on explanatory variables. Our approach is based on the combination of the multivariate distributional regression and an efficient online learning algorithm based on online coordinate descent for LASSO-type regularization. Additionally, we propose to regularize the estimation along a path of increasingly complex dependence structures of the multivariate distribution, allowing for parsimonious estimation and early stopping. We validate our approach through one of the first forecasting studies focusing on multivariate probabilistic forecasting in the German day-ahead electricity market while using only online estimation methods. We compare our approach to online LASSO-ARX-models with adaptive marginal distribution and to online univariate distributional models combined with an adaptive Copula. We show that the multivariate distributional regression, which allows modeling all distribution parameters - including the mean and the dependence structure - conditional on explanatory variables such as renewable in-feed or past prices provide superior forecasting performance compared to modeling of the marginals only and keeping a static/unconditional dependence structure. Additionally, online estimation yields a speed-up by a factor of 80 to over 400 times compared to batch fitting.


IMPACT: A Generic Semantic Loss for Multimodal Medical Image Registration

arXiv.org Artificial Intelligence

Image registration is fundamental in medical imaging, enabling precise alignment of anatomical structures for diagnosis, treatment planning, image-guided interventions, and longitudinal monitoring. This work introduces IMPACT (Image Metric with Pretrained model-Agnostic Comparison for Transmodality registration), a novel similarity metric designed for robust multimodal image registration. Rather than relying on raw intensities, handcrafted descriptors, or task-specific training, IMPACT defines a semantic similarity measure based on the comparison of deep features extracted from large-scale pretrained segmentation models. By leveraging representations from models such as TotalSegmentator, Segment Anything (SAM), and other foundation networks, IMPACT provides a task-agnostic, training-free solution that generalizes across imaging modalities. These features, originally trained for segmentation, offer strong spatial correspondence and semantic alignment capabilities, making them naturally suited for registration. The method integrates seamlessly into both algorithmic (Elastix) and learning-based (VoxelMorph) frameworks, leveraging the strengths of each. IMPACT was evaluated on five challenging 3D registration tasks involving thoracic CT/CBCT and pelvic MR/CT datasets. Quantitative metrics, including Target Registration Error and Dice Similarity Coefficient, demonstrated consistent improvements in anatomical alignment over baseline methods. Qualitative analyses further highlighted the robustness of the proposed metric in the presence of noise, artifacts, and modality variations. With its versatility, efficiency, and strong performance across diverse tasks, IMPACT offers a powerful solution for advancing multimodal image registration in both clinical and research settings.


Prompt Optimization with Logged Bandit Data

arXiv.org Machine Learning

We study how to use naturally available user feedback, such as clicks, to optimize large language model (LLM) pipelines for generating personalized sentences using prompts. Naive approaches, which estimate the policy gradient in the prompt space, suffer either from variance caused by the large action space of prompts or bias caused by inaccurate reward predictions. To circumvent these challenges, we propose a novel kernel-based off-policy gradient method, which estimates the policy gradient by leveraging similarity among generated sentences, substantially reducing variance while suppressing the bias. Empirical results on our newly established suite of benchmarks demonstrate the effectiveness of the proposed approach in generating personalized descriptions for movie recommendations, particularly when the number of candidate prompts is large.


A computational transition for detecting multivariate shuffled linear regression by low-degree polynomials

arXiv.org Machine Learning

In this paper, we study the problem of multivariate shuffled linear regression, where the correspondence between predictors and responses in a linear model is obfuscated by a latent permutation. Specifically, we investigate the model $Y=\tfrac{1}{\sqrt{1+\sigma^2}}(\Pi_* X Q_* + \sigma Z)$, where $X$ is an $n*d$ standard Gaussian design matrix, $Z$ is an $n*m$ Gaussian noise matrix, $\Pi_*$ is an unknown $n*n$ permutation matrix, and $Q_*$ is an unknown $d*m$ on the Grassmanian manifold satisfying $Q_*^{\top} Q_* = \mathbb I_m$. Consider the hypothesis testing problem of distinguishing this model from the case where $X$ and $Y$ are independent Gaussian random matrices of sizes $n*d$ and $n*m$, respectively. Our results reveal a phase transition phenomenon in the performance of low-degree polynomial algorithms for this task. (1) When $m=o(d)$, we show that all degree-$D$ polynomials fail to distinguish these two models even when $\sigma=0$, provided with $D^4=o\big( \tfrac{d}{m} \big)$. (2) When $m=d$ and $\sigma=\omega(1)$, we show that all degree-$D$ polynomials fail to distinguish these two models provided with $D=o(\sigma)$. (3) When $m=d$ and $\sigma=o(1)$, we show that there exists a constant-degree polynomial that strongly distinguish these two models. These results establish a smooth transition in the effectiveness of low-degree polynomial algorithms for this problem, highlighting the interplay between the dimensions $m$ and $d$, the noise level $\sigma$, and the computational complexity of the testing task.


STOOD-X methodology: using statistical nonparametric test for OOD Detection Large-Scale datasets enhanced with explainability

arXiv.org Machine Learning

Out-of-Distribution (OOD) detection is a critical task in machine learning, particularly in safety-sensitive applications where model failures can have serious consequences. However, current OOD detection methods often suffer from restrictive distributional assumptions, limited scalability, and a lack of interpretability. To address these challenges, we propose STOOD-X, a two-stage methodology that combines a Statistical nonparametric Test for OOD Detection with eXplainability enhancements. In the first stage, STOOD-X uses feature-space distances and a Wilcoxon-Mann-Whitney test to identify OOD samples without assuming a specific feature distribution. In the second stage, it generates user-friendly, concept-based visual explanations that reveal the features driving each decision, aligning with the BLUE XAI paradigm. Through extensive experiments on benchmark datasets and multiple architectures, STOOD-X achieves competitive performance against state-of-the-art post hoc OOD detectors, particularly in high-dimensional and complex settings. In addition, its explainability framework enables human oversight, bias detection, and model debugging, fostering trust and collaboration between humans and AI systems. The STOOD-X methodology therefore offers a robust, explainable, and scalable solution for real-world OOD detection tasks.


Computing High-dimensional Confidence Sets for Arbitrary Distributions

arXiv.org Machine Learning

We study the problem of learning a high-density region of an arbitrary distribution over $\mathbb{R}^d$. Given a target coverage parameter $\delta$, and sample access to an arbitrary distribution $D$, we want to output a confidence set $S \subset \mathbb{R}^d$ such that $S$ achieves $\delta$ coverage of $D$, i.e., $\mathbb{P}_{y \sim D} \left[ y \in S \right] \ge \delta$, and the volume of $S$ is as small as possible. This is a central problem in high-dimensional statistics with applications in finding confidence sets, uncertainty quantification, and support estimation. In the most general setting, this problem is statistically intractable, so we restrict our attention to competing with sets from a concept class $C$ with bounded VC-dimension. An algorithm is competitive with class $C$ if, given samples from an arbitrary distribution $D$, it outputs in polynomial time a set that achieves $\delta$ coverage of $D$, and whose volume is competitive with the smallest set in $C$ with the required coverage $\delta$. This problem is computationally challenging even in the basic setting when $C$ is the set of all Euclidean balls. Existing algorithms based on coresets find in polynomial time a ball whose volume is $\exp(\tilde{O}( d/ \log d))$-factor competitive with the volume of the best ball. Our main result is an algorithm that finds a confidence set whose volume is $\exp(\tilde{O}(d^{2/3}))$ factor competitive with the optimal ball having the desired coverage. The algorithm is improper (it outputs an ellipsoid). Combined with our computational intractability result for proper learning balls within an $\exp(\tilde{O}(d^{1-o(1)}))$ approximation factor in volume, our results provide an interesting separation between proper and (improper) learning of confidence sets.


High-dimensional ridge regression with random features for non-identically distributed data with a variance profile

arXiv.org Machine Learning

The behavior of the random feature model in the high-dimensional regression framework has become a popular issue of interest in the machine learning literature}. This model is generally considered for feature vectors $x_i = \Sigma^{1/2} x_i'$, where $x_i'$ is a random vector made of independent and identically distributed (iid) entries, and $\Sigma$ is a positive definite matrix representing the covariance of the features. In this paper, we move beyond {\CB this standard assumption by studying the performances of the random features model in the setting of non-iid feature vectors}. Our approach is related to the analysis of the spectrum of large random matrices through random matrix theory (RMT) {\CB and free probability} results. We turn to the analysis of non-iid data by using the notion of variance profile {\CB which} is {\CB well studied in RMT.} Our main contribution is then the study of the limits of the training and {\CB prediction} risks associated to the ridge estimator in the random features model when its dimensions grow. We provide asymptotic equivalents of these risks that capture the behavior of ridge regression with random features in a {\CB high-dimensional} framework. These asymptotic equivalents, {\CB which prove to be sharp in numerical experiments}, are retrieved by adapting, to our setting, established results from operator-valued free probability theory. Moreover, {\CB for various classes of random feature vectors that have not been considered so far in the literature}, our approach allows to show the appearance of the double descent phenomenon when the ridge regularization parameter is small enough.