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Our understanding of the physics of biological molecules, such as proteins and DNA, is limited because the approximations we usually apply to model inert materials are not in general applicable to soft, chemically inhomogeneous systems. The…

Quantum Physics · Physics 2010-07-13 Sarah Harris , Vivien M. Kendon

Business process simulation (BPS) is a versatile technique for estimating process performance across various scenarios. Traditionally, BPS approaches employ a control-flow-first perspective by enriching a process model with simulation…

Multiagent Systems · Computer Science 2024-08-19 Lukas Kirchdorfer , Robert Blümel , Timotheus Kampik , Han van der Aa , Heiner Stuckenschmidt

In this article, we present a novel data assimilation strategy in pore-scale imaging and demonstrate that this makes it possible to robustly address reactive inverse problems incorporating Uncertainty Quantification (UQ). Pore-scale…

Machine Learning · Computer Science 2025-01-20 Sarah Perez , Philippe Poncet

Agent-based models (ABMs) offer a powerful framework for understanding complex systems. However, their computational demands often become a significant barrier as the number of agents and complexity of the simulation increase. Traditional…

Multiagent Systems · Computer Science 2025-10-23 Steffen Fürst , Tim Conrad , Carlo Jaeger , Sarah Wolf

Effective intervention strategies for epidemics rely on the identification of their origin and on the robustness of the predictions made by network disease models. We introduce a Bayesian uncertainty quantification framework to infer model…

Populations and Evolution · Quantitative Biology 2020-04-02 Karen Larson , Clark Bowman , Zhizhong Chen , Panagiotis Hadjidoukas , Costas Papadimitriou , Petros Koumoutsakos , Anastasios Matzavinos

Neural networks (NNs) often assign high confidence to their predictions, even for points far out-of-distribution, making uncertainty quantification (UQ) a challenge. When they are employed to model interatomic potentials in materials…

Machine Learning · Computer Science 2023-12-27 Aik Rui Tan , Shingo Urata , Samuel Goldman , Johannes C. B. Dietschreit , Rafael Gómez-Bombarelli

Numerical models of complex real-world phenomena often necessitate High Performance Computing (HPC). Uncertainties increase problem dimensionality further and pose even greater challenges. We present a parallelization strategy for…

Mathematical Software · Computer Science 2021-08-02 Linus Seelinger , Anne Reinarz , Leonhard Rannabauer , Michael Bader , Peter Bastian , Robert Scheichl

In social sciences, researchers often face challenges when conducting large-scale experiments, particularly due to the simulations' complexity and the lack of technical expertise required to develop such frameworks. Agent-Based Modeling…

Agent-based simulation is crucial for modeling complex human behavior, yet traditional approaches require extensive domain knowledge and large datasets. In data-scarce healthcare settings where historic and counterfactual data are limited,…

Artificial Intelligence · Computer Science 2025-04-01 Sarah Martinson , Lingkai Kong , Cheol Woo Kim , Aparna Taneja , Milind Tambe

Uncertainty quantification (UQ) techniques are frequently used to ascertain output variability in systems with parametric uncertainty. Traditional algorithms for UQ are either system-agnostic and slow (such as Monte Carlo) or fast with…

Computation · Statistics 2015-03-19 Tuhin Sahai , Jose Miguel Pasini

The visual analytics community has long aimed to understand users better and assist them in their analytic endeavors. As a result, numerous conceptual models of visual analytics aim to formalize common workflows, techniques, and goals…

Human-Computer Interaction · Computer Science 2023-04-20 Shayan Monadjemi , Mengtian Guo , David Gotz , Roman Garnett , Alvitta Ottley

Deep learning has been shown to be highly effective for automatic modulation classification (AMC), which is a pivotal technology for next-generation cognitive communications. Yet, existing deep learning methods for AMC often lack robust…

Signal Processing · Electrical Eng. & Systems 2025-12-03 Huian Yang , Rajeev Sahay

Agent-Based Models are very useful for simulation of physical or social processes, such as the spreading of a pandemic in a city. Such models proceed by specifying the behavior of individuals (agents) and their interactions, and…

Multiagent Systems · Computer Science 2023-01-31 Varun Madhavan , Adway Mitra , Partha Pratim Chakrabarti

Inverse Uncertainty Quantification (IUQ) method has been widely used to quantify the uncertainty of Physical Model Parameters (PMPs) in nuclear Thermal Hydraulics (TH) systems. This paper introduces a novel hierarchical Bayesian model which…

Computation · Statistics 2024-03-27 Chen Wang , Xu Wu , Tomasz Kozlowski

While Agent-Based Models can create detailed artificial societies based on individual differences and local context, they can be computationally intensive. Modelers may offset these costs through a parsimonious use of the model, for example…

Artificial Intelligence · Computer Science 2024-09-04 Philippe J. Giabbanelli , Jack T. Beerman

The advent of fabrication techniques such as additive manufacturing has focused attention on the considerable variability of material response due to defects and other microstructural aspects. This variability motivates the development of…

Data Analysis, Statistics and Probability · Physics 2019-06-26 Francesco Rizzi , Mohammad Khalil , Reese E. Jones , Jeremy A. Templeton , Jakob T. Ostien , Brad L. Boyce

Quantifying uncertainty and updating reliability are essential for ensuring the safety and performance of engineering systems. This study develops a hierarchical Bayesian modeling (HBM) framework to quantify uncertainty and update…

Methodology · Statistics 2024-12-31 Xinyu Jia , Weinan Hou , Costas Papadimitriou

Today's research in recommender systems is largely based on experimental designs that are static in a sense that they do not consider potential longitudinal effects of providing recommendations to users. In reality, however, various…

Information Retrieval · Computer Science 2021-08-26 Gediminas Adomavicius , Dietmar Jannach , Stephan Leitner , Jingjing Zhang

Accurate uncertainty quantification (UQ) in Large Language Models (LLMs) is critical for trustworthy deployment. While real-world language is inherently ambiguous, reflecting aleatoric uncertainty, existing UQ methods are typically…

Machine Learning · Computer Science 2026-01-30 Tim Tomov , Dominik Fuchsgruber , Tom Wollschläger , Stephan Günnemann

An agent-based model (ABM) is a computational model in which the local interactions of autonomous agents with each other and with their environment give rise to global properties within a given domain. As the detail and complexity of these…

Dynamical Systems · Mathematics 2022-12-01 Daniel A. Cruz , Jack Toppen , Eunbi Park , Melissa L. Kemp , Elena S. Dimitrova