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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…

计算物理 · 物理学 2021-04-28 Shunzhou Wan , Robert C. Sinclair , Peter V. Coveney

Data-driven models (DDM) based on machine learning and other AI techniques play an important role in the perception of increasingly autonomous systems. Due to the merely implicit definition of their behavior mainly based on the data used…

软件工程 · 计算机科学 2022-06-15 Janek Groß , Rasmus Adler , Michael Kläs , Jan Reich , Lisa Jöckel , Roman Gansch

Dynamical systems modeling, particularly via systems of ordinary differential equations, has been used to effectively capture the temporal behavior of different biochemical components in signal transduction networks. Despite the recent…

定量方法 · 定量生物学 2023-01-06 Nathaniel J. Linden , Boris Kramer , Padmini Rangamani

I discuss an issue arising in analyzing data from astronomical surveys: accounting for measurement uncertainties in the properties of individual sources detected in a survey when making inferences about the entire population of sources.…

天体物理学 · 物理学 2009-11-10 Thomas J. Loredo

Posterior distributions on parameters computed from experimental data using Bayesian techniques are only as accurate as the models used to construct them. In many applications these models are incomplete, which both reduces the prospects of…

广义相对论与量子宇宙学 · 物理学 2015-06-23 Christopher J. Moore , Jonathan R. Gair

PARMESAN (the Python Atmospheric Research Package for MEteorological TimeSeries and Turbulence ANalysis) is a Python package providing common functionality for atmospheric scientists doing time series or turbulence analysis. Several…

Global climate models (GCMs) are the main tools for understanding and predicting climate change. However, due to limited numerical resolutions, these models suffer from major structural uncertainties; e.g., they cannot resolve critical…

机器学习 · 计算机科学 2023-12-05 Rambod Mojgani , Daniel Waelchli , Yifei Guan , Petros Koumoutsakos , Pedram Hassanzadeh

Complex systems' modeling and simulation are powerful ways to investigate a multitude of natural phenomena providing extended knowledge on their structure and behavior. However, enhanced modeling and simulation require integration of…

Researchers in explainable artificial intelligence have developed numerous methods for helping users understand the predictions of complex supervised learning models. By contrast, explaining the $\textit{uncertainty}$ of model outputs has…

机器学习 · 统计学 2023-11-01 David S. Watson , Joshua O'Hara , Niek Tax , Richard Mudd , Ido Guy

Atmospheric retrievals (AR) of exoplanets typically rely on a combination of a Bayesian inference technique and a forward simulator to estimate atmospheric properties from an observed spectrum. A key component in simulating spectra is the…

天体物理仪器与方法 · 物理学 2023-12-20 Timothy D. Gebhard , Daniel Angerhausen , Björn S. Konrad , Eleonora Alei , Sascha P. Quanz , Bernhard Schölkopf

We explore a stochastic model that enables capturing external influences in two specific ways. The model allows for the expression of uncertainty in the parametrisation of the stochastic dynamics and incorporates patterns to account for…

证券定价 · 定量金融 2024-04-11 Felix L. Wolf , Griselda Deelstra , Lech A. Grzelak

Weather extremes are a major societal and economic hazard, claiming thousands of lives and causing billions of dollars in damage every year. Under climate change, their impact and intensity are expected to worsen significantly.…

机器学习 · 计算机科学 2022-10-24 Antoine Blanchard , Nishant Parashar , Boyko Dodov , Christian Lessig , Themistoklis Sapsis

Contemporary tasks of complex system simulation are often related to the issue of uncertainty management. It comes from the lack of information or knowledge about the simulated system as well as from restrictions of the model set being…

Suppose data are fitted to some parametric model but that the true model happens to be one with an additional parameter. When a parameter is to be estimated one can use likelihood estimation in the wider model or in the narrow model.…

统计方法学 · 统计学 2026-03-27 Nils Lid Hjort

Significant progress has been made on the model development for simulating turbulent reacting flows. As a consequence, we are currently in a position where key-physical aspects of fairly complex combustion processes are well understood at a…

流体动力学 · 物理学 2020-12-17 Matthias Ihme

Uncertainty quantification is vital for decision-making and risk assessment in machine learning. Mean-variance regression models, which predict both a mean and residual noise for each data point, provide a simple approach to uncertainty…

机器学习 · 统计学 2025-12-01 Eliot Wong-Toi , Alex Boyd , Vincent Fortuin , Stephan Mandt

We develop a novel application of hybrid information divergences to analyze uncertainty in steady-state subsurface flow problems. These hybrid information divergences are non-intrusive, goal-oriented uncertainty quantification tools that…

概率论 · 数学 2019-07-05 Eric Joseph Hall , Markos A. Katsoulakis

The objective is to provide clear and well-motivated guidance to Machine Learning (ML) teams, founded on our experience in empirical turbulence modeling. Guidance is also needed for modeling outside ML. ML is not yet successful in…

流体动力学 · 物理学 2023-08-03 Philippe Spalart

We propose a novel iterative algorithm for estimating a deterministic but unknown parameter vector in the presence of model uncertainties. This iterative algorithm is based on a system model where an overall noise term describes both, the…

统计理论 · 数学 2017-11-27 Oliver Lang , Michael Lunglmayr , Mario Huemer

This study aims to improve the spatial representation of uncertainties when regressing surface wind speeds from large-scale atmospheric predictors for sub-seasonal forecasting. Sub-seasonal forecasting often relies on large-scale…

机器学习 · 计算机科学 2025-10-21 Ganglin Tian , Anastase Alexandre Charantonis , Camille Le Coz , Alexis Tantet , Riwal Plougonven
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