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Traditional Bayesian approaches for model uncertainty quantification rely on notoriously difficult processes of marginalization over each network parameter to estimate its probability density function (PDF). Our hypothesis is that internal…

Machine Learning · Computer Science 2021-03-03 Rishabh Singh , Jose C. Principe

Accurate uncertainty quantification of model predictions is a crucial problem in machine learning. Existing Bayesian methods, being highly iterative, are expensive to implement and often fail to accurately capture a model's true posterior…

Machine Learning · Computer Science 2022-05-31 Rishabh Singh , Jose C. Principe

Deep learning models for semantic segmentation are prone to poor performance in real-world applications due to the highly challenging nature of the task. Model uncertainty quantification (UQ) is one way to address this issue of lack of…

Computer Vision and Pattern Recognition · Computer Science 2022-11-04 Rishabh Singh , Jose C. Principe

The fields of signal processing and information theory have evolved with the goal of developing formulations to extract intrinsic information from limited amount of data. When one considers the modeling of unpredictably varying processes…

Signal Processing · Electrical Eng. & Systems 2019-05-07 Rishabh Singh , Jose C. Principe

Depth measures have gained popularity in the statistical literature for defining level sets in complex data structures like multivariate data, functional data, and graphs. Despite their versatility, integrating depth measures into…

Parton Distribution Functions (PDFs) play a central role in describing experimental data at colliders and provide insight into the structure of nucleons. As the LHC enters an era of high-precision measurements, a robust PDF determination…

High Energy Physics - Phenomenology · Physics 2026-01-21 Amedeo Chiefa , Luigi Del Debbio , Richard Kenway

Depth measures are powerful tools for defining level sets in emerging, non--standard, and complex random objects such as high-dimensional multivariate data, functional data, and random graphs. Despite their favorable theoretical properties,…

Machine learning models are increasingly used to predict material properties and accelerate atomistic simulations, but the reliability of their predictions depends on the representativeness of the training data. We present a scalable,…

Chemical Physics · Physics 2025-10-20 Daniel Willimetz , Lukáš Grajciar

Reliable measurement of dependence between variables is essential in many applications of statistics and machine learning. Current approaches for dependence estimation, especially density-based approaches, lack in precision, robustness…

Signal Processing · Electrical Eng. & Systems 2022-11-04 Rishabh Singh , Jose C. Principe

We review various methods used to estimate uncertainties in quantum correlation functions, such as parton distribution functions (PDFs). Using a toy model of a PDF, we compare the uncertainty estimates yielded by the traditional Hessian and…

High Energy Physics - Phenomenology · Physics 2022-08-17 N. T. Hunt-Smith , A. Accardi , W. Melnitchouk , N. Sato , A. W. Thomas , M. J. White

Wasserstein gradient and Hamiltonian flows have emerged as essential tools for modeling complex dynamics in the natural sciences, with applications ranging from partial differential equations (PDEs) and optimal transport to quantum…

Numerical Analysis · Mathematics 2025-11-11 Jianyu Hu , Juan-Pablo Ortega , Daiying Yin

A kernel method for estimating a probability density function (pdf) from an i.i.d. sample drawn from such density is presented. Our estimator is a linear combination of kernel functions, the coefficients of which are determined by a linear…

Statistics Theory · Mathematics 2023-04-20 Yoshihito Kazashi , Fabio Nobile

In this PhD thesis, we propose a novel framework for uncertainty quantification in machine learning, which is based on proper scores. Uncertainty quantification is an important cornerstone for trustworthy and reliable machine learning…

Machine Learning · Computer Science 2025-08-26 Sebastian G. Gruber

Uncertainty quantification is essential for scientific analysis, as it allows for the evaluation and interpretation of variability and reliability in complex systems and datasets. In their original form, multivariate statistical regression…

The problem of establishing out-of-sample bounds for the values of an unkonwn ground-truth function is considered. Kernels and their associated Hilbert spaces are the main formalism employed herein along with an observational model where…

Machine Learning · Computer Science 2022-09-13 Paul Scharnhorst , Emilio T. Maddalena , Yuning Jiang , Colin N. Jones

We develop a new computational framework to solve the partial differential equations (PDEs) governing the flow of the joint probability density functions (PDFs) in continuous-time stochastic nonlinear systems. The need for computing the…

Optimization and Control · Mathematics 2019-08-08 Kenneth F. Caluya , Abhishek Halder

This paper introduces a novel approach to probabilistic deep learning, kernel density matrices, which provide a simpler yet effective mechanism for representing joint probability distributions of both continuous and discrete random…

Machine Learning · Computer Science 2024-05-01 Fabio A. González , Raúl Ramos-Pollán , Joseph A. Gallego-Mejia

Generative models, like large language models, are becoming increasingly relevant in our daily lives, yet a theoretical framework to assess their generalization behavior and uncertainty does not exist. Particularly, the problem of…

Machine Learning · Computer Science 2024-07-11 Sebastian G. Gruber , Florian Buettner

This paper presents a unified framework for uncertainty propagation in dynamical systems involving hybrid aleatory and epistemic uncertainties. The framework accommodates precise probabilistic, imprecise probabilistic, and non-probabilistic…

Methodology · Statistics 2025-09-12 Yi Luo , Meng-Ze Lyu , Matteo Broggi , Marko Thiele , Vasileios C. Fragkoulis , Michael Beer

Probability theory has become the predominant framework for quantifying uncertainty across scientific and engineering disciplines, with a particular focus on measurement and control systems. However, the widespread reliance on simple…

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