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Real-world optimisation problems typically have objective functions which cannot be expressed analytically. These optimisation problems are evaluated through expensive physical experiments or simulations. Cheap approximations of the…

神经与进化计算 · 计算机科学 2022-11-01 Mohamed Z. Variawa , Terence L. Van Zyl , Matthew Woolway

Hyperparameter optimization in machine learning is often achieved using naive techniques that only lead to an approximate set of hyperparameters. Although techniques such as Bayesian optimization perform an intelligent search on a given…

机器学习 · 计算机科学 2023-06-21 Ankur Sinha , Satender Gunwal , Shivam Kumar

A surrogate model based hyperparameter tuning approach for deep learning is presented. This article demonstrates how the architecture-level parameters (hyperparameters) of deep learning models that were implemented in Keras/tensorflow can…

机器学习 · 计算机科学 2021-07-07 Thomas Bartz-Beielstein , Frederik Rehbach , Amrita Sen , Martin Zaefferer

Bayesian Optimization is a widely used method for optimizing expensive black-box functions, relying on probabilistic surrogate models such as Gaussian Processes. The quality of the surrogate model is crucial for good optimization…

机器学习 · 计算机科学 2025-12-16 Carl Hvarfner , David Eriksson , Eytan Bakshy , Max Balandat

In the field of machine learning (ML) for materials optimization, active learning algorithms, such as Bayesian Optimization (BO), have been leveraged for guiding autonomous and high-throughput experimentation systems. However, very few…

Optimizing the hyperparameters and architecture of a neural network is a long yet necessary phase in the development of any new application. This consuming process can benefit from the elaboration of strategies designed to quickly discard…

最优化与控制 · 数学 2021-03-16 Dounia Lakhmiri , Sébastien Le Digabel

We introduce a surrogate-based black-box optimization method, termed Polynomial-model-based optimization (PMBO). The algorithm alternates polynomial approximation with Bayesian optimization steps, using Gaussian processes to model the error…

最优化与控制 · 数学 2024-03-13 Janina Schreiber , Pau Batlle , Damar Wicaksono , Michael Hecht

Multidisciplinary design optimization methods aim at adapting numerical optimization techniques to the design of engineering systems involving multiple disciplines. In this context, a large number of mixed continuous, integer and…

Approximate Bayesian inference based on Laplace approximation and quadrature methods have become increasingly popular for their efficiency at fitting latent Gaussian models (LGM), which encompass popular models such as Bayesian generalized…

统计方法学 · 统计学 2024-03-20 Dayi Li , Ziang Zhang

In many mechanistic medical, biological, physical and engineered spatiotemporal dynamic models the numerical solution of partial differential equations (PDEs) can make simulations impractically slow. Biological models require the…

软凝聚态物质 · 物理学 2021-02-11 J. Quetzalcóatl Toledo-Marín , Geoffrey Fox , James P. Sluka , James A. Glazier

Identifying optimal values for a high-dimensional set of hyperparameters is a problem that has received growing attention given its importance to large-scale machine learning applications such as neural architecture search. Recently…

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,…

神经与进化计算 · 计算机科学 2019-02-01 Ke Li , Zilin Xiang , Kay Chen Tan

The probabilistic surrogates used by Bayesian optimizers make them popular methods when function evaluations are noisy or expensive to evaluate. While Bayesian optimizers are traditionally used for global optimization, their benefits are…

最优化与控制 · 数学 2026-05-14 André L. Marchildon , David W. Zingg

Despite the recent progress in hyperparameter optimization (HPO), available benchmarks that resemble real-world scenarios consist of a few and very large problem instances that are expensive to solve. This blocks researchers and…

机器学习 · 计算机科学 2019-11-26 Aaron Klein , Zhenwen Dai , Frank Hutter , Neil Lawrence , Javier Gonzalez

Solving complex real problems often demands advanced algorithms, and then continuous improvements in the internal operations of a search technique are needed. Hybrid algorithms, parallel techniques, theoretical advances, and much more are…

神经与进化计算 · 计算机科学 2025-08-12 Tomohiro Harada , Enrique Alba , Gabriel Luque

We give a simple, fast algorithm for hyperparameter optimization inspired by techniques from the analysis of Boolean functions. We focus on the high-dimensional regime where the canonical example is training a neural network with a large…

机器学习 · 计算机科学 2018-01-23 Elad Hazan , Adam Klivans , Yang Yuan

Bayesian Optimization (BO), guided by Gaussian process (GP) surrogates, has proven to be an invaluable technique for efficient, high-dimensional, black-box optimization, a critical problem inherent to many applications such as industrial…

High-Performance Computing (HPC) schedulers must balance user performance with facility-wide resource constraints. The task boils down to selecting the optimal number of nodes for a given job. We present a surrogate-assisted multi-objective…

机器学习 · 计算机科学 2026-01-23 Ashna Nawar Ahmed , Banooqa Banday , Terry Jones , Tanzima Z. Islam

Randomize-then-optimize (RTO) is widely used for sampling from posterior distributions in Bayesian inverse problems. However, RTO may be computationally intensive for complexity problems due to repetitive evaluations of the expensive…

数值分析 · 数学 2021-04-14 Liang Yan , Tao Zhou

When training deep learning models, the performance depends largely on the selected hyperparameters. However, hyperparameter optimization (HPO) is often one of the most expensive parts of model design. Classical HPO methods treat this as a…