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Safe Bayesian optimization (BO) with Gaussian processes is an effective tool for tuning control policies in safety-critical real-world systems, specifically due to its sample efficiency and safety guarantees. However, most safe BO…

Optimization and Control · Mathematics 2025-12-15 Abdullah Tokmak , Thomas B. Schön , Dominik Baumann

A key drawback of the current generation of artificial decision-makers is that they do not adapt well to changes in unexpected situations. This paper addresses the situation in which an AI for aerial dog fighting, with tunable parameters…

Machine Learning · Statistics 2016-12-14 Brett Israelsen , Nisar Ahmed

Plasma systems exhibit complex multiscale dynamics, resolving which poses significant challenges for conventional numerical simulations. Machine learning (ML) offers an alternative by learning data-driven representations of these dynamics.…

Plasma Physics · Physics 2025-03-04 Farbod Faraji , Maryam Reza

Bayesian optimization is a sample-efficient method for solving expensive, black-box optimization problems. Stochastic programming concerns optimization under uncertainty where, typically, average performance is the quantity of interest. In…

Machine Learning · Statistics 2025-02-19 Jack M. Buckingham , Ivo Couckuyt , Juergen Branke

Control auto-tuning for industrial and robotic systems, when framed as an optimization problem, provides an excellent means to tune these systems. However, most optimization methods are computationally costly, and this is problematic for…

Computational Engineering, Finance, and Science · Computer Science 2024-11-11 Marlon J. Ares-Milian , Gregory Provan , Marcos Quinones-Grueiro

We present a way to dramatically accelerate Gaussian process models for interatomic force fields based on many-body kernels by mapping both forces and uncertainties onto functions of low-dimensional features. This allows for automated…

Computational Physics · Physics 2021-03-23 Yu Xie , Jonathan Vandermause , Lixin Sun , Andrea Cepellotti , Boris Kozinsky

We propose practical extensions to Bayesian optimization for solving dynamic problems. We model dynamic objective functions using spatiotemporal Gaussian process priors which capture all the instances of the functions over time. Our…

Machine Learning · Statistics 2018-03-12 Favour M. Nyikosa , Michael A. Osborne , Stephen J. Roberts

In the machine learning domain, active learning is an iterative data selection algorithm for maximizing information acquisition and improving model performance with limited training samples. It is very useful, especially for the industrial…

Machine Learning · Statistics 2020-04-24 Xiaowei Yue , Yuchen Wen , Jeffrey H. Hunt , Jianjun Shi

Dynamic and evolving operational and economic environments present significant challenges for decision-making. We explore a simulation optimization problem characterized by non-stationary input distributions with regime-switching dynamics…

Optimization and Control · Mathematics 2025-08-19 Jianglin Xia , Haowei Wang , Songhao Wang , Szu Hui Ng

In this paper, a physics-oriented stochastic kinetic scheme will be developed that includes random inputs from both flow and electromagnetic fields via a hybridization of stochastic Galerkin and collocation methods. Based on the BGK-type…

Computational Physics · Physics 2021-03-17 Tianbai Xiao , Martin Frank

Recent advances in 3D Gaussian Splatting (3DGS) have focused on accelerating optimization while preserving reconstruction quality. However, many proposed methods entangle implementation-level improvements with fundamental algorithmic…

Computer Vision and Pattern Recognition · Computer Science 2026-02-11 Florian Hahlbohm , Linus Franke , Martin Eisemann , Marcus Magnor

The optimization of atomic structures plays a pivotal role in understanding and designing materials with desired properties. However, conventional computational methods often struggle with the formidable task of navigating the vast…

Materials Science · Physics 2024-11-19 Peder Lyngby , Casper Larsen , Karsten Wedel Jacobsen

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

We introduce Bayesian optimization, a technique developed for optimizing time-consuming engineering simulations and for fitting machine learning models on large datasets. Bayesian optimization guides the choice of experiments during…

Machine Learning · Statistics 2017-11-22 Peter I. Frazier , Jialei Wang

Many machine learning models require a training procedure based on running stochastic gradient descent. A key element for the efficiency of those algorithms is the choice of the learning rate schedule. While finding good learning rates…

Machine Learning · Statistics 2020-06-26 Victor Picheny , Vincent Dutordoir , Artem Artemev , Nicolas Durrande

Scenarios requiring humans to choose from multiple seemingly optimal actions are commonplace, however standard imitation learning often fails to capture this behavior. Instead, an over-reliance on replicating expert actions induces…

Robotics · Computer Science 2022-11-08 Hanbit Oh , Hikaru Sasaki , Brendan Michael , Takamitsu Matsubara

Accelerated discovery in materials science demands autonomous systems capable of dynamically formulating and solving design problems. In this work, we introduce a novel framework that leverages Bayesian optimization over a problem…

Systems and Control · Electrical Eng. & Systems 2025-02-11 Danial Khatamsaz , Joseph Wagner , Brent Vela , Raymundo Arroyave , Douglas L. Allaire

The design of inertial fusion experiments is a complex task as driver energy must be delivered in a precise manner to a structured target to achieve a fast, but hydrodynamically stable, implosion. Radiation-hydrodynamics simulation codes…

Plasma Physics · Physics 2025-08-29 A. J. Crilly , P. W. Moloney , D. Shi , E. A. Ferdinandi

In the context of modern environmental and societal concerns, there is an increasing demand for methods able to identify management strategies for civil engineering systems, minimizing structural failure risks while optimally planning…

Artificial Intelligence · Computer Science 2023-04-17 Pablo G. Morato , Charalampos P. Andriotis , Konstantinos G. Papakonstantinou , Philippe Rigo

Sequential fine-tuning of transformers is useful when new data arrive sequentially, especially with shifting distributions. Unlike batch learning, sequential learning demands that training be stabilized despite a small amount of data by…

Machine Learning · Computer Science 2025-09-16 Haoming Jing , Oren Wright , José M. F. Moura , Yorie Nakahira