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Multi-agent simulations enables the modeling and analyses of the dynamic behaviors and interactions of autonomous entities evolving in complex environments. Agent-based models (ABM) are widely used to study emergent phenomena arising from…

Machine Learning · Computer Science 2025-05-20 Paul Saves , Nicolas Verstaevel , Benoît Gaudou

Modelling rock-fluid interaction requires solving a set of partial differential equations (PDEs) to predict the flow behaviour and the reactions of the fluid with the rock on the interfaces. Conventional high-fidelity numerical models…

Global optimization of expensive functions has important applications in physical and computer experiments. It is a challenging problem to develop efficient optimization scheme, because each function evaluation can be costly and the…

Machine Learning · Statistics 2020-01-22 Ray-Bing Chen , Yuan Wang , C. F. Jeff Wu

Multi-fidelity methods combine inexpensive low-fidelity simulations with costly but high-fidelity simulations to produce an accurate model of a system of interest at minimal cost. They have proven useful in modeling physical systems and…

Artificial Intelligence · Computer Science 2012-06-27 Erik J. Schlicht , Ritchie Lee , David H. Wolpert , Mykel J. Kochenderfer , Brendan Tracey

Data generation remains a bottleneck in training surrogate models to predict molecular properties. We demonstrate that multitask Gaussian process regression overcomes this limitation by leveraging both expensive and cheap data sources. In…

Chemical Physics · Physics 2024-07-11 Katharine Fisher , Michael Herbst , Youssef Marzouk

The term `surrogate modeling' in computational science and engineering refers to the development of computationally efficient approximations for expensive simulations, such as those arising from numerical solution of partial differential…

Numerical Analysis · Mathematics 2022-08-12 Maarten V. de Hoop , Daniel Zhengyu Huang , Elizabeth Qian , Andrew M. Stuart

Fast machine learning-based surrogate models are trained to emulate slow, high-fidelity engineering simulation models to accelerate engineering design tasks. This introduces uncertainty as the surrogate is only an approximation of the…

Machine Learning · Statistics 2020-10-08 Paul Westermann , Ralph Evins

Developing effective multimodal data fusion strategies has become increasingly essential for improving the predictive power of statistical machine learning methods across a wide range of applications, from autonomous driving to medical…

Machine Learning · Computer Science 2025-07-29 Ziyi Liang , Annie Qu , Babak Shahbaba

Model fusion seeks to combine independently trained neural networks into a single model without retraining, but is complicated by representational divergence arising from permutation invariance, random initialization, and heterogeneous…

Machine Learning · Computer Science 2026-05-29 Phoomraphee Luenam , Andreas Spanopoulos , Amit Sant , Thomas Hofmann , Sotiris Anagnostidis , Sidak Pal Singh

High-fidelity simulation models are widely used to analyze complex stochastic systems, but their high computational cost motivates the development of cheaper surrogate models that approximate the simulation model's input-output…

Machine Learning · Statistics 2026-05-28 Mohammadmahdi Ghasemloo , David J. Eckman , Yaxian Li

Deep model fusion/merging is an emerging technique that merges the parameters or predictions of multiple deep learning models into a single one. It combines the abilities of different models to make up for the biases and errors of a single…

Machine Learning · Computer Science 2023-09-28 Weishi Li , Yong Peng , Miao Zhang , Liang Ding , Han Hu , Li Shen

Predictive estimation, which comprises model calibration, model prediction, and validation, is a common objective when performing inverse uncertainty quantification (UQ) in diverse scientific applications. These techniques typically require…

Numerical Analysis · Mathematics 2024-07-17 Ningxin Yang , Truong Le , Lidija Zdravković , David M. Potts

Modern container ships face higher wind loads due to increased windage areas, making accurate predictions of wind loads essential for mooring design. Existing empirical models, largely developed for container ships with smaller windage…

Machine Learning · Computer Science 2026-04-28 Matilde Fiore , Andrea Bresciani , Miguel Alfonso Mendez , Jeroen van Beeck

The development of a reliable and robust surrogate model is often constrained by the dimensionality of the problem. For a system with high-dimensional inputs/outputs (I/O), conventional approaches usually use a low-dimensional manifold to…

Image and Video Processing · Electrical Eng. & Systems 2020-10-01 Xihaier Luo , Ahsan Kareem

Data-driven evolutionary optimization has witnessed great success in solving complex real-world optimization problems. However, existing data-driven optimization algorithms require that all data are centrally stored, which is not always…

Neural and Evolutionary Computing · Computer Science 2021-02-17 Jinjin Xu , Yaochu Jin , Wenli Du , Sai Gu

Accurately modelling the Earth's climate has widespread applications ranging from forecasting local weather to understanding global climate change. Low-fidelity simulations of climate phenomena are readily available, but high-fidelity…

Atmospheric and Oceanic Physics · Physics 2021-09-17 Ben Hudson , Frederik Nijweide , Isaac Sebenius

The present paper proposes a Bayesian framework for inverse problems that seamlessly integrates optimization and inversion to enable rapid surrogate modeling, accurate parameter inference, and rigorous uncertainty quantification. Bayesian…

Computational Engineering, Finance, and Science · Computer Science 2026-02-05 Mihaela Chiappetta , Massimo Carraturo , Alexander Raßloff , Markus Kästner , Ferdinando Auricchio

The aim of the present paper is to develop a strategy for solving reliability-based design optimization (RBDO) problems that remains applicable when the performance models are expensive to evaluate. Starting with the premise that…

Methodology · Statistics 2011-04-20 V. Dubourg , B. Sudret , J. -M. Bourinet

Federated Learning remains highly susceptible to backdoor attacks--malicious clients inject targeted behaviours into the global model. Existing defenses suffer from substantial false-positive rates under realistic non-independent and…

Cryptography and Security · Computer Science 2026-05-13 Fatima Z. Abacha , Sin G. Teo , Yuanxiang Wu , Lucas C. Cordeiro , Mustafa A. Mustafa

Building an accurate surrogate model for the spatio-temporal outputs of a computer simulation is a challenging task. A simple approach to improve the accuracy of the surrogate is to cluster the outputs based on similarity and build a…

Machine Learning · Computer Science 2023-07-06 Chandrika Kamath , Juliette S. Franzman