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A common challenge in computer experiments and related fields is to efficiently explore the input space using a small number of samples, i.e., the experimental design problem. Much of the recent focus in the computer experiment literature,…

Methodology · Statistics 2019-07-01 Boya Zhang , D. Austin Cole , Robert B. Gramacy

The treatment of Hall-effect thrusters as nonlinear, dynamical systems has emerged as a new perspective to understand and analyze data acquired from the thrusters. The acquisition of high-speed data that can resolve the characteristic…

Chaotic Dynamics · Physics 2024-08-14 Adrian S Wong , Christine M Greve , Daniel Q Eckhardt

Evolutionary algorithms provide gradient-free optimisation which is beneficial for models that have difficulty in obtaining gradients; for instance, geoscientific landscape evolution models. However, such models are at times computationally…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-06-28 Rohitash Chandra , Yash Vardhan Sharma

Surrogates have been proposed as classical simulations of the pretrained quantum learning models, which are capable of mimicking the input-output relation inherent in the quantum model. Quantum hardware within this framework is used for…

Quantum Physics · Physics 2025-06-12 Sreeraj Rajindran Nair , Christopher Ferrie

In recent years, surrogate models have been successfully used in likelihood-free inference to decrease the number of simulator evaluations. The current state-of-the-art performance for this task has been achieved by Bayesian Optimization…

Machine Learning · Computer Science 2021-10-06 Alexander Aushev , Henri Pesonen , Markus Heinonen , Jukka Corander , Samuel Kaski

Learning precise surrogate models of complex computer simulations and physical machines often require long-lasting or expensive experiments. Furthermore, the modeled physical dependencies exhibit nonlinear and nonstationary behavior.…

Machine Learning · Computer Science 2023-03-20 Matthias Bitzer , Mona Meister , Christoph Zimmer

The analysis of computer models can be aided by the construction of surrogate models, or emulators, that statistically model the numerical computer model. Increasingly, computer models are becoming stochastic, yielding different outputs…

Methodology · Statistics 2020-04-10 Evan Baker , Peter Challenor , Matt Eames

LHC physics crucially relies on our ability to simulate events efficiently from first principles. Modern machine learning, specifically generative networks, will help us tackle simulation challenges for the coming LHC runs. Such networks…

High Energy Physics - Phenomenology · Physics 2020-08-20 Anja Butter , Tilman Plehn

Numerical solutions of partial differential equations (PDEs) require expensive simulations, limiting their application in design optimization, model-based control, and large-scale inverse problems. Surrogate modeling techniques seek to…

Computational Physics · Physics 2022-05-18 James Duvall , Karthik Duraisamy , Shaowu Pan

Graph representation learning is a fundamental problem for modeling relational data and benefits a number of downstream applications. Traditional Bayesian-based graph models and recent deep learning based GNN either suffer from…

Machine Learning · Computer Science 2024-03-27 Hanxuan Yang , Qingchao Kong , Wenji Mao

Despite the recent success of Graph Neural Networks (GNNs), training GNNs on large graphs remains challenging. The limited resource capacities of the existing servers, the dependency between nodes in a graph, and the privacy concern due to…

Machine Learning · Computer Science 2022-03-15 Morteza Ramezani , Weilin Cong , Mehrdad Mahdavi , Mahmut T. Kandemir , Anand Sivasubramaniam

Multi-robot systems require scalable and federated methods to model complex environments under computational and communication constraints. Gaussian Processes (GPs) offer robust probabilistic modeling, but suffer from cubic computational…

Multiagent Systems · Computer Science 2026-02-13 Sanket A. Salunkhe , George P. Kontoudis

Transmission expansion planning (TEP) plays a critical role in ensuring power system reliability and facilitating the integration of renewable energy resources. However, this process requires planners to constantly deal with significant…

Systems and Control · Electrical Eng. & Systems 2026-04-21 Victor Schmitt , Farzaneh Pourahmadi , Angela Flores-Quiroz , Pablo Apablaza , Pierluigi Mancarella

Designing scalable estimation algorithms is a core challenge in modern statistics. Here we introduce a framework to address this challenge based on parallel approximants, which yields estimators with provable properties that operate on the…

Methodology · Statistics 2023-08-04 Aritra Chakravorty , William S. Cleveland , Patrick J. Wolfe

Predicting the performance of large-scale distributed machine learning (ML) workloads across multiple accelerator architectures remains a central challenge in ML system design. Existing GPU and TPU focused simulators are typically…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-04-15 Jonas Svedas , Nathan Laubeuf , Ryan Harvey , Arjun Singh , Changhai Man , Abubakr Nada , Tushar Krishna , James Myers , Debjyoti Bhattacharjee

Surrogate models are used for global approximation of responses generated by expensive computer experiments like CFD applications. In this paper, we make use of structural similarities which are shared by a class of related problems. We…

Numerical Analysis · Mathematics 2012-06-20 Benjamin Rosenbaum , Volker Schulz

High-fidelity numerical simulations of chaotic, high dimensional nonlinear dynamical systems are computationally expensive, necessitating the development of efficient surrogate models. Most surrogate models for such systems are…

Machine Learning · Computer Science 2026-03-16 Dibyajyoti Chakraborty , Hojin Kim , Romit Maulik

This paper proposes a machine-learning-based solution approach for solving multi-horizon stochastic programs. The approach embeds a deep learning neural network into a multi-horizon stochastic program to approximate the recourse operational…

Optimization and Control · Mathematics 2025-12-03 Hongyu Zhang , Gabriele Sormani , Enza Messina , Alan King , Francesca Maggioni

While complex simulations of physical systems have been widely used in engineering and scientific computing, lowering their often prohibitive computational requirements has only recently been tackled by deep learning approaches. In this…

Numerical Analysis · Mathematics 2023-10-26 Chuanbo Hua , Federico Berto , Michael Poli , Stefano Massaroli , Jinkyoo Park

Recent years have seen a surge in deep learning approaches to accelerate numerical solvers, which provide faithful but computationally intensive simulations of the physical world. These deep surrogates are generally trained in a supervised…

Machine Learning · Computer Science 2023-10-02 Lucas Meyer , Marc Schouler , Robert Alexander Caulk , Alejandro Ribés , Bruno Raffin