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We study the efficiency of algorithms simulating a system evolving with Hamiltonian $H=\sum_{j=1}^m H_j$. We consider high order splitting methods that play a key role in quantum Hamiltonian simulation. We obtain upper bounds on the number…

Quantum Physics · Physics 2010-10-12 Anargyros Papageorgiou , Chi Zhang

We developed a parallel Bayesian optimization algorithm for large eddy simulations. These simulations challenge optimization methods because they take hours or days to compute, and their objective function contains noise as turbulent…

Fluid Dynamics · Physics 2014-11-04 Chaitanya Talnikar , Patrick Blonigan , Julien Bodart , Qiqi Wang

Aircraft design relies heavily on solving challenging and computationally expensive Multidisciplinary Design Optimization problems. In this context, there has been growing interest in multi-fidelity models for Bayesian optimization to…

Optimization and Control · Mathematics 2026-04-01 Oihan Cordelier , Youssef Diouane , Nathalie Bartoli , Eric Laurendeau

Reduced-order simulation is an emerging method for accelerating physical simulations with high DOFs, and recently developed neural-network-based methods with nonlinear subspaces have been proven effective in diverse applications as more…

Machine Learning · Computer Science 2024-09-09 Aoran Lyu , Shixian Zhao , Chuhua Xian , Zhihao Cen , Hongmin Cai , Guoxin Fang

Bayesian optimization has become widely popular across various experimental sciences due to its favorable attributes: it can handle noisy data, perform well with relatively small datasets, and provide adaptive suggestions for sequential…

Other Quantitative Biology · Quantitative Biology 2025-08-15 Maximilian Siska , Emma Pajak , Katrin Rosenthal , Antonio del Rio Chanona , Eric von Lieres , Laura Marie Helleckes

Data-efficiency is crucial for autonomous robots to adapt to new tasks and environments. In this work we focus on robotics problems with a budget of only 10-20 trials. This is a very challenging setting even for data-efficient approaches…

Robotics · Computer Science 2019-07-11 Rika Antonova , Akshara Rai , Tianyu Li , Danica Kragic

Machine Learning algorithms, such as Boosted Decisions Trees and Deep Neural Network, are widely used in High-Energy-Physics. The aim of this study is to apply Bayesian Optimization to tune the hyperparameters used in a machine learning…

Data Analysis, Statistics and Probability · Physics 2019-11-12 Oriel Kiss

Optimizing accelerator control is a critical challenge in experimental particle physics, requiring significant manual effort and resource expenditure. Traditional tuning methods are often time-consuming and reliant on expert input,…

Accelerator Physics · Physics 2026-01-27 Anwar Ibrahim , Denis Derkach , Alexey Petrenko , Fedor Ratnikov , Maxim Kaledin

We present the first general purpose framework for marginal maximum a posteriori estimation of probabilistic program variables. By using a series of code transformations, the evidence of any probabilistic program, and therefore of any…

Machine Learning · Statistics 2017-07-17 Tom Rainforth , Tuan Anh Le , Jan-Willem van de Meent , Michael A. Osborne , Frank Wood

In multi-task Bayesian optimization, the goal is to leverage experience from optimizing existing tasks to improve the efficiency of optimizing new ones. While approaches using multi-task Gaussian processes or deep kernel transfer exist, the…

Bayesian optimisation is an adaptive sampling strategy for constructing a Gaussian process surrogate to efficiently search for the global minimum of a black-box computational model. Gaussian processes have limited applicability in…

Applications · Statistics 2025-12-04 Thomas A. Archbold , Ieva Kazlauskaite , Fehmi Cirak

Recent advances in both theoretical and computational methods have enabled large-scale, precision calculations of the properties of atomic nuclei. With the growing complexity of modern nuclear theory, however, also comes the need for novel…

Nuclear Theory · Physics 2024-11-26 R. Y. Cheng , K. Godbey , Y. B. Niu , Y. G. Ma , W. B. He , S. M. Wang

Cyber-physical systems (CPSs) are often complex and safety-critical, making it both challenging and crucial to ensure that the system's specifications are met. Simulation-based falsification is a practical testing technique for increasing…

Systems and Control · Electrical Eng. & Systems 2025-02-13 Zahra Ramezani , Kenan Šehić , Luigi Nardi , Knut Åkesson

Bayesian optimization is a popular formalism for global optimization, but its computational costs limit it to expensive-to-evaluate functions. A competing, computationally more efficient, global optimization framework is optimistic…

Machine Learning · Computer Science 2022-09-05 Julia Grosse , Cheng Zhang , Philipp Hennig

The optimal selection of experimental conditions is essential to maximizing the value of data for inference and prediction, particularly in situations where experiments are time-consuming and expensive to conduct. We propose a general…

Machine Learning · Statistics 2012-12-04 Xun Huan , Youssef M. Marzouk

Many contemporary machine learning models require extensive tuning of hyperparameters to perform well. A variety of methods, such as Bayesian optimization, have been developed to automate and expedite this process. However, tuning remains…

Machine Learning · Computer Science 2020-02-25 Setareh Ariafar , Zelda Mariet , Ehsan Elhamifar , Dana Brooks , Jennifer Dy , Jasper Snoek

Superconducting photoelectron injectors are a promising technique for generating high brilliant pulsed electron beams with high repetition rates and low emittances. Experiments such as ultra-fast electron diffraction, experiments at the…

Accelerator Physics · Physics 2025-03-19 David Meier , Luis Vera Ramirez , Jens Völker , Bernhard Sick , Jens Viefhaus , Gregor Hartmann

This work presents a comprehensive performance analysis and optimization of a multiscale agent-based cellular simulation. The optimizations applied are guided by detailed performance analysis and include memory management, load balance, and…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-06-28 Marc Clascà , Marta Garcia-Gasulla , Arnau Montagud , Jose Carbonell Caballero , Alfonso Valencia

Laser-plasma accelerators represent a promising technology for future compact accelerating systems, enabling the acceleration of tens of pC to above $1\,$GeV over just a few centimeters. Nonetheless, these devices currently lack the…

A modular, maintainable and extensible particle beam simulation architecture is presented. Design considerations for single particle, multi particle, and rms envelope simulations (in two and three dimensions) are outlined. Envelope…

Computational Physics · Physics 2007-05-23 Nicholas D. Pattengale , Christopher K. Allen