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Benchmarking the Performance of Bayesian Optimization across Multiple
  Experimental Materials Science Domains

Benchmarking the Performance of Bayesian Optimization across Multiple Experimental Materials Science Domains

23 May 2021
Qiaohao Liang
Aldair E. Gongora
Zekun Ren
A. Tiihonen
Zhe Liu
Shijing Sun
J. R. Deneault
Daniil Bash
F. Mekki‐Berrada
Saif A. Khan
K. Hippalgaonkar
Benji Maruyama
Keith A. Brown
John W Fisher Iii
Tonio Buonassisi
ArXivPDFHTML

Papers citing "Benchmarking the Performance of Bayesian Optimization across Multiple Experimental Materials Science Domains"

13 / 13 papers shown
Title
Interpretable SHAP-bounded Bayesian Optimization for Underwater Acoustic Metamaterial Coating Design
Interpretable SHAP-bounded Bayesian Optimization for Underwater Acoustic Metamaterial Coating Design
Hansani Weeratunge
Dominic Robe
Elnaz Hajizadeh
16
0
0
10 May 2025
Long-run Behaviour of Multi-fidelity Bayesian Optimisation
Long-run Behaviour of Multi-fidelity Bayesian Optimisation
G. Dovonon
Jakob Zeitler
23
1
0
19 Dec 2023
Accelerating material discovery with a threshold-driven hybrid
  acquisition policy-based Bayesian optimization
Accelerating material discovery with a threshold-driven hybrid acquisition policy-based Bayesian optimization
Ahmed Shoyeb Raihan
H. Khosravi
Srinjoy Das
Imtiaz Ahmed
31
3
0
16 Nov 2023
Bayesian Optimisation Against Climate Change: Applications and
  Benchmarks
Bayesian Optimisation Against Climate Change: Applications and Benchmarks
Sigrid Passano Hellan
Christopher G. Lucas
Nigel H. Goddard
32
1
0
07 Jun 2023
Bayesian Optimization of Catalysis With In-Context Learning
Bayesian Optimization of Catalysis With In-Context Learning
M. C. Ramos
Shane S. Michtavy
Marc D. Porosoff
Andrew D. White
BDL
44
30
0
11 Apr 2023
Randomized Gaussian Process Upper Confidence Bound with Tighter Bayesian
  Regret Bounds
Randomized Gaussian Process Upper Confidence Bound with Tighter Bayesian Regret Bounds
Shion Takeno
Yu Inatsu
Masayuki Karasuyama
28
13
0
03 Feb 2023
Fast Bayesian Optimization of Needle-in-a-Haystack Problems using
  Zooming Memory-Based Initialization (ZoMBI)
Fast Bayesian Optimization of Needle-in-a-Haystack Problems using Zooming Memory-Based Initialization (ZoMBI)
Alexander E. Siemenn
Zekun Ren
Qianxiao Li
Tonio Buonassisi
36
23
0
26 Aug 2022
Uncertainty-Aware Mixed-Variable Machine Learning for Materials Design
Uncertainty-Aware Mixed-Variable Machine Learning for Materials Design
Hengrui Zhang
WeiWayneChen
Akshay Iyer
D. Apley
Wei-Neng Chen
AI4CE
31
11
0
11 Jul 2022
Towards out of distribution generalization for problems in mechanics
Towards out of distribution generalization for problems in mechanics
Lingxiao Yuan
Harold S. Park
Emma Lejeune
OOD
AI4CE
30
16
0
29 Jun 2022
Towards Futuristic Autonomous Experimentation--A Surprise-Reacting
  Sequential Experiment Policy
Towards Futuristic Autonomous Experimentation--A Surprise-Reacting Sequential Experiment Policy
Imtiaz Ahmed
Satish Bukkapatnam
Bhaskar Botcha
Yucheng Ding
30
5
0
01 Dec 2021
Autonomous optimization of nonaqueous battery electrolytes via robotic
  experimentation and machine learning
Autonomous optimization of nonaqueous battery electrolytes via robotic experimentation and machine learning
Adarsh Dave
Jared M. Mitchell
S. Burke
Hongyi Lin
J. Whitacre
V. Viswanathan
10
70
0
23 Nov 2021
Accelerating high-throughput virtual screening through molecular
  pool-based active learning
Accelerating high-throughput virtual screening through molecular pool-based active learning
David E. Graff
E. Shakhnovich
Connor W. Coley
76
142
0
13 Dec 2020
Variable selection for Gaussian processes via sensitivity analysis of
  the posterior predictive distribution
Variable selection for Gaussian processes via sensitivity analysis of the posterior predictive distribution
Topi Paananen
Juho Piironen
Michael Riis Andersen
Aki Vehtari
78
50
0
21 Dec 2017
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