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The purpose of this paper is twofold. On one side, we present a general framework for Bayesian optimization and we compare it with some related fields in active learning and Bayesian numerical analysis. On the other hand, Bayesian…

机器人学 · 计算机科学 2018-02-13 Ruben Martinez-Cantin

We introduce and study various algorithms for solving nonconvex minimization with inequality constraints, based on the construction of convex surrogate envelopes that majorize the objective and the constraints. In the case where the…

最优化与控制 · 数学 2025-06-11 Nuozhou Wang , Junyu Zhang , Shuzhong Zhang

The aim of black-box optimization is to optimize an objective function within the constraints of a given evaluation budget. In this problem, it is generally assumed that the computational cost for evaluating a point is large; thus, it is…

机器学习 · 统计学 2019-12-03 Masahiro Nomura , Kenshi Abe

Bayesian Optimization (BO) links Gaussian Process (GP) surrogates with sequential design toward optimizing expensive-to-evaluate black-box functions. Example design heuristics, or so-called acquisition functions, like expected improvement…

机器学习 · 计算机科学 2023-08-16 Ryan B. Christianson , Robert B. Gramacy

In this paper we analyze a zeroth-order proximal stochastic gradient method suitable for the minimization of weakly convex stochastic optimization problems. We consider nonsmooth and nonlinear stochastic composite problems, for which…

最优化与控制 · 数学 2025-04-21 Spyridon Pougkakiotis , Dionysios S. Kalogerias

Evolutionary algorithms often struggle to find well converged (e.g small inverted generational distance on test problems) solutions to multi-objective optimization problems on a limited budget of function evaluations (here, a few hundred).…

神经与进化计算 · 计算机科学 2025-04-30 Christopher M. Pierce , Young-Kee Kim , Ivan Bazarov

Fast machine learning-based surrogate models are trained to emulate slow, high-fidelity engineering simulation models to accelerate engineering design tasks. This introduces uncertainty as the surrogate is only an approximation of the…

机器学习 · 统计学 2020-10-08 Paul Westermann , Ralph Evins

We present an adaptive approach to the construction of Gaussian process surrogates for Bayesian inference with expensive-to-evaluate forward models. Our method relies on the fully Bayesian approach to training Gaussian process models and…

机器学习 · 统计学 2018-10-01 Timur Takhtaganov , Juliane Müller

There are a large number of optimization problems in physical models where the relationships between model parameters and outputs are unknown or hard to track. These models are named as black-box models in general because they can only be…

机器学习 · 计算机科学 2021-04-07 Zhongkai Shangguan , Lei Lin , Wencheng Wu , Beilei Xu

The interest in accelerating black-box optimizers has resulted in several surrogate model-assisted version of the Covariance Matrix Adaptation Evolution Strategy, a state-of-the-art continuous black-box optimizer. The version called…

神经与进化计算 · 计算机科学 2017-10-02 Jakub Repicky , Lukas Bajer , Zbynek Pitra , Martin Holena

Optimization algorithms are very different from human optimizers. A human being would gain more experiences through problem-solving, which helps her/him in solving a new unseen problem. Yet an optimization algorithm never gains any…

神经与进化计算 · 计算机科学 2024-10-28 Xunzhao Yu , Yan Wang , Ling Zhu , Dimitar Filev , Xin Yao

Decision-making in manufacturing often involves optimizing key process parameters using data collected from simulation experiments. Gaussian processes are widely used to surrogate the underlying system and guide optimization. Uncertainty…

应用统计 · 统计学 2025-07-30 Yezhuo Li , Qiong Zhang , Madhura Limaye , Gang Li

Many real-world systems are modelled using complex ordinary differential equations (ODEs). However, the dimensionality of these systems can make them challenging to analyze. Dimensionality reduction techniques like Proper Orthogonal…

计算工程、金融与科学 · 计算机科学 2025-02-26 Abhishek Ajayakumar , Soumyendu Raha

Gradient-based optimization is now ubiquitous across graphics, but unfortunately can not be applied to problems with undefined or zero gradients. To circumvent this issue, the loss function can be manually replaced by a ``surrogate'' that…

计算机视觉与模式识别 · 计算机科学 2024-05-08 Michael Fischer , Tobias Ritschel

We introduce BayeSQP, a novel algorithm for general black-box optimization that merges the structure of sequential quadratic programming with concepts from Bayesian optimization. BayeSQP employs second-order Gaussian process surrogates for…

机器学习 · 计算机科学 2026-02-04 Paul Brunzema , Sebastian Trimpe

Predictive estimation, which comprises model calibration, model prediction, and validation, is a common objective when performing inverse uncertainty quantification (UQ) in diverse scientific applications. These techniques typically require…

数值分析 · 数学 2024-07-17 Ningxin Yang , Truong Le , Lidija Zdravković , David M. Potts

Surrogate models are often used as computationally efficient approximations to complex simulation models, enabling tasks such as solving inverse problems, sensitivity analysis, and probabilistic forward predictions, which would otherwise be…

机器学习 · 统计学 2026-05-13 Philipp Reiser , Paul-Christian Bürkner , Anneli Guthke

Many engineering problems involve the optimization of computationally expensive models for which derivative information is not readily available. The Bayesian optimization (BO) framework is a particularly promising approach for solving…

最优化与控制 · 数学 2022-02-10 Joel A. Paulson , Congwen Lu

The computational burden of running a complex computer model can make optimization impractical. Gaussian Processes (GPs) are statistical surrogates (also known as emulators) that alleviate this issue since they cheaply replace the computer…

统计计算 · 统计学 2019-09-11 Theodoros Mathikolonis , Serge Guillas

Solving inverse problems using Bayesian methods can become prohibitively expensive when likelihood evaluations involve complex and large scale numerical models. A common approach to circumvent this issue is to approximate the forward model…

计算工程、金融与科学 · 计算机科学 2023-12-14 Maximilian Dinkel , Carolin M. Geitner , Gil Robalo Rei , Jonas Nitzler , Wolfgang A. Wall