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Bayesian optimization has become a successful tool for hyperparameter optimization of machine learning algorithms, such as support vector machines or deep neural networks. Despite its success, for large datasets, training and validating a…

Machine Learning · Computer Science 2017-03-08 Aaron Klein , Stefan Falkner , Simon Bartels , Philipp Hennig , Frank Hutter

Improving predictive understanding of Earth system variability and change requires data-model integration. Efficient data-model integration for complex models requires surrogate modeling to reduce model evaluation time. However, building a…

Machine Learning · Statistics 2019-01-17 Dan Lu , Daniel Ricciuto

This paper introduces a novel two-stage machine learning-based surrogate modeling framework to address inverse problems in scientific and engineering fields. In the first stage of the proposed framework, a machine learning model termed the…

Machine Learning · Computer Science 2024-01-05 Farhad Pourkamali-Anaraki , Jamal F. Husseini , Evan J. Pineda , Brett A. Bednarcyk , Scott E. Stapleton

Large-scale multi-objective optimization problems (LSMOPs) remain challenging due to the high-dimensional decision spaces, complex variable interactions, and limited function evaluation budgets, which make it difficult to balance the…

Optimization and Control · Mathematics 2026-05-27 Junyi Cui , Chao Min , Stanisław Migórski , Binrong Wang , Yonglan Xie

A data-free, predictive scientific AI model, Tensor-decomposition-based A Priori Surrogate (TAPS), is proposed for tackling ultra large-scale engineering simulations with significant speedup, memory savings, and storage gain. TAPS can…

Computational Engineering, Finance, and Science · Computer Science 2025-10-28 Jiachen Guo , Gino Domel , Chanwook Park , Hantao Zhang , Ozgur Can Gumus , Ye Lu , Gregory J. Wagner , Dong Qian , Jian Cao , Thomas J. R. Hughes , Wing Kam Liu

Evolutionary computation methods have been successfully applied to neural networks since two decades ago, while those methods cannot scale well to the modern deep neural networks due to the complicated architectures and large quantities of…

Neural and Evolutionary Computing · Computer Science 2019-03-12 Yanan Sun , Bing Xue , Mengjie Zhang , Gary G. Yen

Evolutionary algorithms (EAs) are population-based general-purpose optimization algorithms, and have been successfully applied in various real-world optimization tasks. However, previous theoretical studies often employ EAs with only a…

Neural and Evolutionary Computing · Computer Science 2016-06-13 Chao Qian , Yang Yu , Zhi-Hua Zhou

Many applications in machine learning require optimizing a function whose true gradient is unknown, but where surrogate gradient information (directions that may be correlated with, but not necessarily identical to, the true gradient) is…

Neural and Evolutionary Computing · Computer Science 2019-06-12 Niru Maheswaranathan , Luke Metz , George Tucker , Dami Choi , Jascha Sohl-Dickstein

The complex and computationally expensive nature of landscape evolution models pose significant challenges in the inference and optimisation of unknown parameters. Bayesian inference provides a methodology for estimation and uncertainty…

Machine Learning · Statistics 2020-06-30 Rohitash Chandra , Danial Azam , Arpit Kapoor , R. Dietmar Müller

Bayesian optimization has been shown to be a powerful tool for solving black box problems during online accelerator optimization. The major advantage of Bayesian based optimization techniques is the ability to include prior information…

Accelerator Physics · Physics 2022-11-17 Connie Xu , Ryan Roussel , Auralee Edelen

A Voronoi diagram is a basic geometric structure that partitions the space into regions associated with a given set of sites, such that all points in a region are closer to the corresponding site than to all other sites. While being…

Computational Geometry · Computer Science 2023-01-27 Tobias Friedrich , Maximilian Katzmann , Leon Schiller

We consider the problem of constructing surrogate operators for parameter-to-solution maps arising from parametric partial differential equations, where repeated forward model evaluations are computationally expensive. We present a…

Machine Learning · Computer Science 2026-04-02 Josephine Westermann , Benno Huber , Thomas O'Leary-Roseberry , Jakob Zech

Efficient data transmission and reasonable task allocation are important to improve multi-robot exploration efficiency. However, most communication data types typically contain redundant information and thus require massive communication…

Robotics · Computer Science 2025-12-16 Qianli Dong , Haobo Xi , Shiyong Zhang , Qingchen Bi , Tianyi Li , Ziyu Wang , Xuebo Zhang

This paper proposes a new method for hyperparameter optimization (HPO) that balances exploration and exploitation. While evolutionary algorithms (EAs) show promise in HPO, they often struggle with effective exploitation. To address this, we…

Neural and Evolutionary Computing · Computer Science 2025-04-11 Chul Kim , Inwhee Joe

It is not uncommon that meta-heuristic algorithms contain some intrinsic parameters, the optimal configuration of which is crucial for achieving their peak performance. However, evaluating the effectiveness of a configuration is expensive,…

Neural and Evolutionary Computing · Computer Science 2019-02-01 Ke Li , Zilin Xiang , Kay Chen Tan

Derivation of the probability density evolution provides invaluable insight into the behavior of many stochastic systems and their performance. However, for most real-time applica-tions, numerical determination of the probability density…

Machine Learning · Computer Science 2022-07-06 Seid H. Pourtakdoust , Amir H. Khodabakhsh

Reduced Order Models (ROMs) are of considerable importance in many areas of engineering in which computational time presents difficulties. Established approaches employ projection-based reduction such as Proper Orthogonal Decomposition,…

Numerical Analysis · Mathematics 2023-04-26 Thomas Simpson , Konstantinos Vlachas , Anthony Garland , Nikolaos Dervilis , Eleni Chatzi

Purpose: Current inverse planning methods for IMRT are limited because they are not designed to explore the trade-offs between the competing objectives between the tumor and normal tissues. Our goal was to develop an efficient…

Medical Physics · Physics 2015-06-04 Clay Holdsworth , Minsun Kim , Jay Liao , Mark H Phillips

Using Neuroevolution combined with Novelty Search to promote behavioural diversity is capable of constructing high-performing ensembles for classification. However, using gradient descent to train evolved architectures during the search can…

Machine Learning · Computer Science 2022-02-09 Rui P. Cardoso , Emma Hart , David Burth Kurka , Jeremy V. Pitt

The data-centric construction of inexpensive surrogates for fine-grained, physical models has been at the forefront of computational physics due to its significant utility in many-query tasks such as uncertainty quantification. Recent…

Machine Learning · Statistics 2021-03-17 Maximilian Rixner , Phaedon-Stelios Koutsourelakis