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Real-world applications of computational fluid dynamics often involve the evaluation of quantities of interest for several distinct geometries that define the computational domain or are embedded inside it. For example, design optimization…

Numerical Analysis · Mathematics 2023-08-08 Guglielmo Padula , Francesco Romor , Giovanni Stabile , Gianluigi Rozza

Bayesian Optimization (BO) is a powerful method for optimizing black-box functions by combining prior knowledge with ongoing function evaluations. BO constructs a probabilistic surrogate model of the objective function given the covariates,…

Machine Learning · Statistics 2025-08-26 Roi Naveiro , Becky Tang

Multi-Objective Bi-Level Optimization (MOBLO) addresses nested multi-objective optimization problems common in a range of applications. However, its multi-objective and hierarchical bilevel nature makes it notably complex. Gradient-based…

Optimization and Control · Mathematics 2024-06-11 Xinmin Yang , Wei Yao , Haian Yin , Shangzhi Zeng , Jin Zhang

Generative models, particularly diffusion models, have achieved remarkable success in density estimation for multimodal data, drawing significant interest from the reinforcement learning (RL) community, especially in policy modeling in…

Machine Learning · Computer Science 2024-12-03 Jinouwen Zhang , Rongkun Xue , Yazhe Niu , Yun Chen , Jing Yang , Hongsheng Li , Yu Liu

Molecular property optimization (MPO) problems are inherently challenging since they are formulated over discrete, unstructured spaces and the labeling process involves expensive simulations or experiments, which fundamentally limits the…

Biomolecules · Quantitative Biology 2024-01-04 Farshud Sorourifar , Thomas Banker , Joel A. Paulson

Model selection is an integral problem of model based optimization techniques such as Bayesian optimization (BO). Current approaches often treat model selection as an estimation problem, to be periodically updated with observations coming…

Machine Learning · Computer Science 2023-08-02 Manisha Senadeera , Santu Rana , Sunil Gupta , Svetha Venkatesh

Many complex systems obey to optimality conditions that are usually not simple. Conflicting traits often interact making a Multi Objective Optimization (MOO) approach necessary. Recent MOO research on complex systems report about the Pareto…

Physics and Society · Physics 2015-09-16 Luís F. Seoane , Ricard Solé

Existing Bayesian Optimization (BO) methods typically balance exploration and exploitation to optimize costly objective functions. However, these methods often suffer from a significant one-step bias, which may lead to convergence towards…

Machine Learning · Computer Science 2025-10-23 Ruiyao Miao , Junren Xiao , Shiya Tsang , Hui Xiong , Yingnian Wu

In this paper we study energy efficient joint power allocation and beamforming for coordinated multicell multiuser downlink systems. The considered optimization problem is in a non-convex fractional form and hard to tackle. We propose to…

Information Theory · Computer Science 2013-10-09 He Shiwen , Huang Yongming , Jin Shi , Yang Luxi

Bayesian Optimization (BO) has shown significant success in tackling expensive low-dimensional black-box optimization problems. Many optimization problems of interest are high-dimensional, and scaling BO to such settings remains an…

Machine Learning · Statistics 2022-06-02 Eric Han , Ishank Arora , Jonathan Scarlett

Many crucial scientific problems involve designing novel molecules with desired properties, which can be formulated as a black-box optimization problem over the discrete chemical space. In practice, multiple conflicting objectives and…

Machine Learning · Computer Science 2023-11-03 Yiheng Zhu , Jialu Wu , Chaowen Hu , Jiahuan Yan , Chang-Yu Hsieh , Tingjun Hou , Jian Wu

Optimization of very expensive black-box functions requires utilization of maximum information gathered by the process of optimization. Model Guided Sampling Optimization (MGSO) forms a more robust alternative to Jones'…

Neural and Evolutionary Computing · Computer Science 2015-09-01 Lukas Bajer , Martin Holena

Most research in Bayesian optimization (BO) has focused on \emph{direct feedback} scenarios, where one has access to exact values of some expensive-to-evaluate objective. This direction has been mainly driven by the use of BO in machine…

Machine Learning · Computer Science 2021-09-02 Eero Siivola , Akash Kumar Dhaka , Michael Riis Andersen , Javier Gonzalez , Pablo Garcia Moreno , Aki Vehtari

Bayesian optimization is a broadly applied methodology to optimize the expensive black-box function. Despite its success, it still faces the challenge from the high-dimensional search space. To alleviate this problem, we propose a novel…

Machine Learning · Computer Science 2020-10-20 Jingfan Chen , Guanghui Zhu , Chunfeng Yuan , Yihua Huang

Modern scientific and engineering design increasingly involves distributed optimization, where agents such as laboratories, simulations, or industrial partners pursue related goals under differing conditions. These agents often face…

Machine Learning · Statistics 2025-10-21 Zihan Wang , Yi-Ping Chen , Tuba Dolar , Wei Chen

Airfoil shape optimization plays a critical role in the design of high-performance aircraft. However, the high-dimensional nature of airfoil representation causes the challenging problem known as the "curse of dimensionality". To overcome…

Machine Learning · Computer Science 2023-11-21 Yu-Eop Kang , Dawoon Lee , Kwanjung Yee

Discovering optimal designs through sequential data collection is essential in many real-world applications. While Bayesian Optimization (BO) has achieved remarkable success in this setting, growing attention has recently turned to…

Machine Learning · Computer Science 2026-04-22 Chih-Yu Chang , Qiyuan Chen , Tianhan Gao , David Fenning , Chinedum Okwudire , Neil Dasgupta , Wei Lu , Raed Al Kontar

In response to the needs of 6G global communications, satellite communication networks have emerged as a key solution. However, the large-scale development of satellite communication networks is constrained by the complex system models,…

Networking and Internet Architecture · Computer Science 2024-12-11 Ruichen Zhang , Hongyang Du , Yinqiu Liu , Dusit Niyato , Jiawen Kang , Zehui Xiong , Abbas Jamalipour , Dong In Kim

This paper introduces an innovative quantum-inspired method for beamforming (BF) optimization in multiple-input multiple-output (MIMO) arrays. The method leverages the simulated bifurcation (SB) algorithm to address the complex…

Bayesian optimization is a class of data efficient model based algorithms typically focused on global optimization. We consider the more general case where a user is faced with multiple problems that each need to be optimized conditional on…

Machine Learning · Statistics 2020-11-04 Michael Pearce , Janis Klaise , Matthew Groves