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Data-driven methods based on machine learning have the potential to accelerate computational analysis of atomic structures. In this context, reliable uncertainty estimates are important for assessing confidence in predictions and enabling…

Machine Learning · Computer Science 2021-11-04 Jonas Busk , Peter Bjørn Jørgensen , Arghya Bhowmik , Mikkel N. Schmidt , Ole Winther , Tejs Vegge

This letter introduces a formalism for modeling time-variant channels for diffusive molecular communication systems. In particular, we consider a fluid environment where one transmitter nano-machine and one receiver nano-machine are…

Information Theory · Computer Science 2017-03-08 Arman Ahmadzadeh , Vahid Jamali , Adam Noel , Robert Schober

Quantum theory allows the traversing of multiple channels in a superposition of different orders. When the order in which the channels are traversed is controlled by an auxiliary quantum system, various unknown parameters of the channels…

Quantum Physics · Physics 2023-09-27 A. Z. Goldberg , L. L. Sanchez-Soto , K. Heshami

Molecular dynamics simulation is now a widespread approach for understanding complex systems on the atomistic scale. It finds applications from physics and chemistry to engineering, life and medical science. In the last decade, the approach…

Computational Physics · Physics 2021-04-28 Shunzhou Wan , Robert C. Sinclair , Peter V. Coveney

We consider the effect of multiple stochastic parameters on the time-average quantities of chaotic systems. We employ the recently proposed \cite{Kantarakias_Papadakis_2023} sensitivity-enhanced generalized polynomial chaos expansion,…

Chaotic Dynamics · Physics 2023-11-02 George Papadakis , Kyriakos D. Kantarakias

A surrogate model approximates a computationally expensive solver. Polynomial Chaos is a method to construct surrogate models by summing combinations of carefully chosen polynomials. The polynomials are chosen to respect the probability…

Numerical Analysis · Mathematics 2017-06-29 Thomas A. McCourt , Brodie Lawson , Fengde Zhou , Bevan Thompson , Stephen Tyson , Diane Donovan

We present a Parametrization of the Physics Informed Neural Network (P-PINN) approach to tackle the problem of uncertainty quantification in reservoir engineering problems. We demonstrate the approach with the immiscible two phase flow…

Computational Engineering, Finance, and Science · Computer Science 2022-05-26 Cedric Fraces Gasmi , Hamdi Tchelepi

We consider anomalous diffusion for molecular communication with a passive receiver. We first consider the probability density function of molecules' location at a given time in a space of arbitrary dimension. The expected number of…

Information Theory · Computer Science 2021-07-09 Dung Phuong Trinh , Youngmin Jeong , Sang-Hyo Kim

We analyze mechanisms and regimes of wave packet spreading in nonlinear disordered media. We predict that wave packets can spread in two regimes of strong and weak chaos. We discuss resonance probabilities, nonlinear diffusion equations,…

Disordered Systems and Neural Networks · Physics 2015-05-18 S. Flach

The increasing uncertainty level caused by growing renewable energy sources (RES) and aging transmission networks poses a great challenge in the assessment of total transfer capability (TTC) and available transfer capability (ATC). In this…

Signal Processing · Electrical Eng. & Systems 2020-10-29 Xiaoting Wang , Xiaozhe Wang , Hao Sheng , Xi Lin

Computational hemodynamics models are becoming increasingly useful in the management and prognosis of complex, multiscale pathologies, including those attributed to the development of pulmonary vascular disease. However, diseases like…

Tissues and Organs · Quantitative Biology 2025-06-06 Mitchel J. Colebank , Naomi C. Chesler

In many areas of engineering and sciences, decision rules and control strategies are usually designed based on nominal values of relevant system parameters. To ensure that a control strategy or decision rule will work properly when the…

Probability · Mathematics 2020-06-16 Xinjia Chen

Statistical learning algorithms provide a generally-applicable framework to sidestep time-consuming experiments, or accurate physics-based modeling, but they introduce a further source of error on top of the intrinsic limitations of the…

Chemical Physics · Physics 2024-05-17 Matthias Kellner , Michele Ceriotti

Many real-world systems modeled using partial differential equations (PDEs) involve unknown parameters that must be estimated from limited, noisy system observations. While typically assumed to be constants, some of these unobserved…

Methodology · Statistics 2025-08-19 Andrea Arnold

In synaptic molecular communication, the activation of postsynaptic receptors by neurotransmitters (NTs) is governed by a stochastic reaction-diffusion process and, hence, inherently random. It is currently not fully understood how this…

Emerging Technologies · Computer Science 2023-01-18 Sebastian Lotter , Maximilian Schäfer , Robert Schober

Propagating uncertainties introduced by chemical reaction rate parameters to high-fidelity numerical simulations of complex combustion devices is necessary to ascertain impact on computational predictions. However, the high cost of detailed…

Computational Physics · Physics 2026-03-12 Vansh Sharma , Shuzhi Zhang , Rahul Jain , Venkat Raman

Climate models project an uncertainty range of possible warming scenarios from 1.5 to 5 degree Celsius global temperature increase until 2100, according to the CMIP6 model ensemble. Climate risk management and infrastructure adaptation…

Machine Learning · Computer Science 2021-05-10 Björn Lütjens , Catherine H. Crawford , Mark Veillette , Dava Newman

Macroscopically heterogeneous materials, characterised mostly by comparable heterogeneity lengthscale and structural sizes, can no longer be modelled by deterministic approach instead. It is convenient to introduce stochastic approach with…

Computational Engineering, Finance, and Science · Computer Science 2014-02-07 Jan Sýkora , Anna Kučerová

This paper studies the utility of techniques within uncertainty quantification, namely spectral projection and polynomial chaos expansion, in reducing sampling needs for characterizing acoustic metamaterial dispersion band responses given…

Cardiovascular simulations are increasingly used for non-invasive diagnosis of cardiovascular disease, to guide treatment decisions, and in the design of medical devices. Quantitative assessment of the variability of simulation outputs due…

Medical Physics · Physics 2020-02-24 Jongmin Seo , Daniele E. Schiavazzi , Andrew M. Kahn , Alison L. Marsden