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Translational diffusion coefficients are routinely estimated from molecular dynamics simulations. Linear fits to mean squared displacement (MSD) curves have become the de facto standard, from simple liquids to complex biomacromolecules.…

Computational Physics · Physics 2020-11-20 Jakob Tómas Bullerjahn , Sören von Bülow , Gerhard Hummer

In this paper, we address the problem of uncertainty propagation through nonlinear stochastic dynamical systems. More precisely, given a discrete-time continuous-state probabilistic nonlinear dynamical system, we aim at finding the sequence…

Systems and Control · Electrical Eng. & Systems 2021-02-01 Ashkan Jasour , Allen Wang , Brian C. Williams

When sample data are governed by an unknown sequence of independent but possibly non-identical distributions, the data-generating process (DGP) in general cannot be perfectly identified from the data. For making decisions facing such…

Theoretical Economics · Economics 2022-05-11 Xiaoyu Cheng

Deep Learning (DL) has made remarkable achievements in computer vision and adopted in safety critical domains such as medical imaging or autonomous drive. Thus, it is necessary to understand the uncertainty of the model to effectively…

Computer Vision and Pattern Recognition · Computer Science 2024-05-28 Hyekyoung Hwang , Jitae Shin

Using the intuition that out-of-distribution data have lower likelihoods, a common approach for out-of-distribution detection involves estimating the underlying data distribution. Normalizing flows are likelihood-based generative models…

Machine Learning · Computer Science 2025-01-30 Seyedeh Fatemeh Razavi , Mohammad Mahdi Mehmanchi , Reshad Hosseini , Mostafa Tavassolipour

Multiple equilibrium states arise in many physical systems, including various types of liquid crystal structures. Having the ability to reliably compute such states enables more accurate physical analysis and understanding of experimental…

Numerical Analysis · Mathematics 2016-01-28 J. H. Adler , D. B. Emerson , P. E. Farrell , S. P. MacLachlan

Neural Network (NN) models provide potential to speed up the drug discovery process and reduce its failure rates. The success of NN models require uncertainty quantification (UQ) as drug discovery explores chemical space beyond the training…

Machine Learning · Computer Science 2022-11-01 Ya Ju Fan , Jonathan E. Allen , Kevin S. McLoughlin , Da Shi , Brian J. Bennion , Xiaohua Zhang , Felice C. Lightstone

The predictive accuracy of the generalized liquid drop model (GLDM) formula for alpha decay half-lives has been investigated in a detailed manner and a variant of the formula with improved coefficients is proposed. The method employs the…

Nuclear Experiment · Physics 2014-11-18 Nabanita Dasgupta-Schubert , Michael A. Reyes

We present a computational framework to investigate steady state distributions and perform stability analysis for random ordinary differential equations driven by parameter uncertainty. Using the nonlinear Rosenzweig McArthur predator prey…

Dynamical Systems · Mathematics 2026-03-05 Wolfgang Hoegele

Robustness to out-of-distribution (OOD) data is an important goal in building reliable machine learning systems. Especially in autonomous systems, wrong predictions for OOD inputs can cause safety critical situations. As a first step…

Machine Learning · Computer Science 2020-04-17 Andreas Sedlmeier , Thomas Gabor , Thomy Phan , Lenz Belzner , Claudia Linnhoff-Popien

In this paper, we consider the problem of non-linear dimensionality reduction under uncertainty, both from a theoretical and algorithmic perspectives. Since real-world data usually contain measurements with uncertainties and artifacts, the…

Machine Learning · Computer Science 2022-02-11 Firas Laakom , Jenni Raitoharju , Nikolaos Passalis , Alexandros Iosifidis , Moncef Gabbouj

Surface normal estimation from a single image is an important task in 3D scene understanding. In this paper, we address two limitations shared by the existing methods: the inability to estimate the aleatoric uncertainty and lack of detail…

Computer Vision and Pattern Recognition · Computer Science 2021-09-22 Gwangbin Bae , Ignas Budvytis , Roberto Cipolla

We describe a statistical method to avoid biased estimation of the content of different particle species. We consider the case when the particle identification information strongly depends on some kinematical variables, whose distributions…

Data Analysis, Statistics and Probability · Physics 2011-06-16 Massimo Casarsa , Pierluigi Catastini , Giovanni Punzi , Luciano Ristori

Estimating how uncertain an AI system is in its predictions is important to improve the safety of such systems. Uncertainty in predictive can result from uncertainty in model parameters, irreducible data uncertainty and uncertainty due to…

Machine Learning · Statistics 2018-12-03 Andrey Malinin , Mark Gales

The problem of quickest detection of a change in the distribution of a sequence of independent observations is considered. It is assumed that the pre-change distribution is known (accurately estimated), while the only information about the…

Statistics Theory · Mathematics 2023-09-29 Liyan Xie , Yuchen Liang , Venugopal V. Veeravalli

In this paper, we present an analytical study of the relationship between the statistical distribution of a physical parameter and the uncertainties in the physical quantities used to determine it through indirect measurement. We…

Optics · Physics 2023-05-17 Esteban Marulanda , Edgar Rueda

Effective quantification of uncertainty is an essential and still missing step towards a greater adoption of deep-learning approaches in different applications, including mission-critical ones. In particular, investigations on the…

Machine Learning · Computer Science 2023-04-14 Marco Forgione , Dario Piga

Uncertainty quantification in a neural network is one of the most discussed topics for safety-critical applications. Though Neural Networks (NNs) have achieved state-of-the-art performance for many applications, they still provide…

Machine Learning · Computer Science 2022-05-09 Mehedi Hasan , Abbas Khosravi , Ibrahim Hossain , Ashikur Rahman , Saeid Nahavandi

Characterizing uncertainty is a common issue in nuclear measurement and has important implications for reliable physical discovery. Traditional methods are either insufficient to cope with the heterogeneous nature of uncertainty or…

Data Analysis, Statistics and Probability · Physics 2022-03-01 Pengcheng Ai , Zhi Deng , Yi Wang , Chendi Shen

We present a framework for learning of modeling uncertainties in Linear Time Invariant (LTI) systems. We propose a methodology to extend the dynamics of an LTI (without uncertainty) with an uncertainty model, based on measured data, to…

Systems and Control · Electrical Eng. & Systems 2023-11-01 Farhad Ghanipoor , Carlos Murguia , Peyman Mohajerin Esfahani , Nathan van de Wouw