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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

The Finite element method (FEM) has long served as the computational backbone for topology optimization (TO). However, for designing structures undergoing large deformations, conventional FEM-based TO often exhibits numerical instabilities…

Computational Engineering, Finance, and Science · Computer Science 2026-03-17 Rahul Kumar Padhy , Aaditya Chandrasekhar , Krishnan Suresh

Computational exploration of the compositional spaces of materials can provide guidance for synthetic research and thus accelerate the discovery of novel materials. Most approaches employ high-throughput sampling and focus on reducing the…

Pin fins are imperative in the cooling of turbine blades. The designs of pin fins, therefore, have seen significant research in the past. With the developments in metal additive manufacturing, novel design approaches toward complex…

Fluid Dynamics · Physics 2023-01-31 Susheel Dharmadhikari , Reid A. Berdanier , Karen A. Thole , Amrita Basak

Entropy Search (ES) and Predictive Entropy Search (PES) are popular and empirically successful Bayesian Optimization techniques. Both rely on a compelling information-theoretic motivation, and maximize the information gained about the…

Machine Learning · Statistics 2018-08-06 Zi Wang , Stefanie Jegelka

The integration of machine learning with domain-specific physics is transforming the design, monitoring, and control of electricity systems, where data scarcity, limited interpretability, and the need to enforce physical laws constrain…

Systems and Control · Electrical Eng. & Systems 2026-05-22 Joseph Nyangon

Uncertainties such as manufacturing tolerances cause performance variations in complex engineering systems, making robust design optimization (RDO) essential. However, simulation-based RDO faces high computational cost for statistical…

Optimization and Control · Mathematics 2026-02-10 Hyunho Jang , Dongjin Lee

Electric machine design optimization is a computationally expensive multi-objective optimization problem. While the objectives require time-consuming finite element analysis, optimization constraints can often be based on mathematical…

Neural and Evolutionary Computing · Computer Science 2022-06-06 Bhuvan Khoshoo , Julian Blank , Thang Q. Pham , Kalyanmoy Deb , Shanelle N. Foster

Sequential Bayesian optimal experimental design (SBOED) for PDE-governed inverse problems is computationally challenging, especially for infinite-dimensional random field parameters. High-fidelity approaches require repeated forward and…

Optimization and Control · Mathematics 2026-01-12 Kaichen Shen , Peng Chen

Designing high-entropy alloys (HEAs) that are both mechanically hard and possess soft magnetic properties is inherently challenging, as a trade-off is needed for mechanical and magnetic properties. In this study, we optimize HEA…

Aircraft design optimization traditionally relies on computationally expensive simulation techniques such as Finite Element Method (FEM) and Finite Volume Method (FVM), which, while accurate, can significantly slow down the design iteration…

Machine Learning · Computer Science 2026-03-03 Apurba Sarker

Optimization of materials performance for specific applications often requires balancing multiple aspects of materials functionality. Even for the cases where generative physical model of material behavior is known and reliable, this often…

Materials Science · Physics 2021-12-15 Arpan Biswas , Anna N. Morozovska , Maxim Ziatdinov , Eugene A. Eliseev , Sergei V. Kalinin

In high-dimensional settings, Bayesian optimization (BO) can be expensive and infeasible. The random embedding Bayesian optimization algorithm is commonly used to address high-dimensional BO challenges. However, this method relies on the…

Machine Learning · Computer Science 2024-08-12 Jiaming Lu , Rong J. B. Zhu

The electromagnetic (EM) features of reconfigurable intelligent surfaces (RISs) fundamentally determine their operating principles and performance. Motivated by these considerations, we study a single-input single-output (SISO) system in…

Information Theory · Computer Science 2024-04-15 Nemanja Stefan Perović , Le-Nam Tran , Marco Di Renzo , Mark F. Flanagan

This study proposes a self-optimization physics-informed Fourier-features randomized neural network (SO-PIFRNN) framework, which significantly improves the numerical solving accuracy of PDEs through hyperparameter optimization mechanism.…

Neural and Evolutionary Computing · Computer Science 2025-08-18 Jiale Linghu , Weifeng Gao , Hao Dong , Yufeng Nie

Expectation maximization (EM) is a technique for estimating maximum-likelihood parameters of a latent variable model given observed data by alternating between taking expectations of sufficient statistics, and maximizing the expected log…

Methodology · Statistics 2018-07-10 Donna Henderson , Gerton Lunter

Understanding the dynamic properties of the uniform electron gas (UEG) is important for numerous applications ranging from semiconductor physics to exotic warm dense matter. In this work, we apply the maximum entropy method (MEM), as…

Strongly Correlated Electrons · Physics 2025-09-19 Thomas Chuna , Nicholas Barnfield , Jan Vorberger , Michael P. Friedlander , Tim Hoheisel , Tobias Dornheim

Multi-objective Bayesian optimization (MOBO) has shown promising performance on various expensive multi-objective optimization problems (EMOPs). However, effectively modeling complex distributions of the Pareto optimal solutions is…

Machine Learning · Computer Science 2024-05-15 Bingdong Li , Zixiang Di , Yongfan Lu , Hong Qian , Feng Wang , Peng Yang , Ke Tang , Aimin Zhou

Recently, multi-fidelity Bayesian optimization (MFBO) has been successfully applied to many engineering design optimization problems, where the cost of high-fidelity simulations and experiments can be prohibitive. However, challenges remain…

Numerical Analysis · Mathematics 2025-10-14 Jingyi Wang , Nai-Yuan Chiang , Tucker Hartland , J. Luc Peterson , Jerome Solberg , Cosmin G. Petra

This paper proposes the application of particle swarm optimization (PSO) to the problem of finite element model (FEM) selection. This problem arises when a choice of the best model for a system has to be made from set of competing models,…

Artificial Intelligence · Computer Science 2009-10-13 Linda Mthembu , Tshilidzi Marwala , Michael I. Friswell , Sondipon Adhikari