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This paper presents the findings of the synthesis of multicomponent (Al, W, Ni, Ti, Nb) alloy coatings from mosaic targets. For the study, a pulsed magnetron sputtering method was employed under different plasma generation conditions:…

We propose to use Bayesian optimization (BO) to improve the efficiency of the design selection process in clinical trials. BO is a method to optimize expensive black-box functions, by using a regression as a surrogate to guide the search.…

统计方法学 · 统计学 2021-05-20 Jakob Richter , Tim Friede , Jörg Rahnenführer

Machine learning has achieved remarkable success over the past couple of decades, often attributed to a combination of algorithmic innovations and the availability of high-quality data available at scale. However, a third critical component…

This paper presents a new type of hybrid model for Bayesian optimization (BO) adept at managing mixed variables, encompassing both quantitative (continuous and integer) and qualitative (categorical) types. Our proposed new hybrid models…

机器学习 · 计算机科学 2024-01-22 Hengrui Luo , Younghyun Cho , James W. Demmel , Xiaoye S. Li , Yang Liu

Bayesian optimization (BO) is a typical approach to solve expensive optimization problems. In each iteration of BO, a Gaussian process(GP) model is trained using the previously evaluated solutions; then next candidate solutions for…

神经与进化计算 · 计算机科学 2022-06-23 Jixiang Chen , Fu Luo , Zhenkun Wang

This study presents a computationally efficient framework for accelerated alloy discovery that uses the non-interacting electron density to capture intrinsic structure-property relationships in refractory high-entropy alloys (HEAs). Unlike…

Bayesian optimization (BO) is one of the most powerful strategies to solve computationally expensive-to-evaluate blackbox optimization problems. However, BO methods are conventionally used for optimization problems of small dimension…

最优化与控制 · 数学 2025-02-10 Rémy Priem , Youssef Diouane , Nathalie Bartoli , Sylvain Dubreuil , Paul Saves

High entropy alloys (HEAs) are a series of novel materials that demonstrate many exceptional mechanical properties. To understand the origin of these attractive properties, it is important to investigate the thermodynamics and elucidate the…

材料科学 · 物理学 2020-11-03 Xianglin Liu , Jiaxin Zhang , Junqi Yin , Sirui Bi , Markus Eisenbach , Yang Wang

The inherent compositional heterogeneity of multi-principal element alloys (MPEAs) gives rise to complex, spatially varying mechanical fields that cannot be uniquely determined from coarse-grained composition descriptors. This…

材料科学 · 物理学 2026-04-03 Ningyu Yan , Zhuocheng Xie , Kai Guo , Yejun Gu , Huajian Gao , Yang Xiang

Understanding atomic hydrogen (H) diffusion in multi-principal element alloys (MPEAs) is essential for advancing clean energy technologies such as H transport, storage, and nuclear fusion applications. However, the vast compositional space…

材料科学 · 物理学 2025-05-14 Fei Shuang , Yucheng Ji , Zixiong Wei , Chaofang Dong , Wei Gao , Luca Laurenti , Poulumi Dey

Inertial Confinement Fusion (ICF) holds transformative promise for sustainable, near-limitless clean energy, yet remains constrained by prohibitively high costs and limited experimental opportunities. This paper presents Human-in-the-Loop…

An emerging optimisation problem from the real-world applications, named the multi-point dynamic aggregation (MPDA) problem, has become one of the active research topics of the multi-robot system. This paper focuses on a multi-objective…

神经与进化计算 · 计算机科学 2021-05-12 Guanqiang Gao , Bin Xin , Yi Mei , Shuxin Ding , Juan Li

Finding Minimum Energy Configurations (MECs) is essential in fields such as physics, chemistry, and materials science, as they represent the most stable states of the systems. In particular, identifying such MECs in multi-component alloys…

材料科学 · 物理学 2025-01-27 Md Rajib Khan Musa , Yichen Qian , Jie Peng , David Cereceda

Bayesian Optimization (BO) is a powerful tool for optimizing expensive black-box objective functions. While extensive research has been conducted on the single-objective optimization problem, the multi-objective optimization problem remains…

机器学习 · 计算机科学 2025-10-27 Lam Ngo , Huong Ha , Jeffrey Chan , Hongyu Zhang

Given a Hyperparameter Optimization(HPO) problem, how to design an algorithm to find optimal configurations efficiently? Bayesian Optimization(BO) and the multi-fidelity BO methods employ surrogate models to sample configurations based on…

机器学习 · 计算机科学 2024-02-22 Yang Zhang , Haiyang Wu , Yuekui Yang

Machine learning was utilized to efficiently boost the development of soft magnetic materials. The design process includes building a database composed of published experimental results, applying machine learning methods on the database,…

Multi-cellular robot design aims to create robots comprised of numerous cells that can be efficiently controlled to perform diverse tasks. Previous research has demonstrated the ability to generate robots for various tasks, but these…

人工智能 · 计算机科学 2023-12-04 Heng Dong , Junyu Zhang , Chongjie Zhang

Not all generate-and-test search algorithms are created equal. Bayesian Optimization (BO) invests a lot of computation time to generate the candidate solution that best balances the predicted value and the uncertainty given all previous…

神经与进化计算 · 计算机科学 2020-05-11 Gongjin Lan , Jakub M. Tomczak , Diederik M. Roijers , A. E. Eiben

Robotics and automation offer massive accelerations for solving intractable, multivariate scientific problems such as materials discovery, but the available search spaces can be dauntingly large. Bayesian optimization (BO) has emerged as a…

This study addresses the challenge of fleet design optimization in the context of heterogeneous multi-robot fleets, aiming to obtain feasible designs that balance performance and costs. In the domain of autonomous multi-robot exploration,…