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2106.01309
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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
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Papers citing
"Benchmarking the Performance of Bayesian Optimization across Multiple Experimental Materials Science Domains"
23 / 23 papers shown
Title
Interpretable SHAP-bounded Bayesian Optimization for Underwater Acoustic Metamaterial Coating Design
Hansani Weeratunge
Dominic Robe
Elnaz Hajizadeh
23
0
0
10 May 2025
Confidence Adjusted Surprise Measure for Active Resourceful Trials (CA-SMART): A Data-driven Active Learning Framework for Accelerating Material Discovery under Resource Constraints
Ahmed Shoyeb Raihan
Zhichao Liu
T. Bhuiyan
I. Imtiaz Ahmed
41
0
0
27 Mar 2025
One Set to Rule Them All: How to Obtain General Chemical Conditions via Bayesian Optimization over Curried Functions
Stefan P. Schmid
Ella M. Rajaonson
C. Ser
Mohammad Haddadnia
Shi Xuan Leong
Alán Aspuru-Guzik
Agustinus Kristiadi
Kjell Jorner
Felix Strieth-Kalthoff
82
0
0
26 Feb 2025
Unexpected Improvements to Expected Improvement for Bayesian Optimization
Sebastian Ament
Sam Daulton
David Eriksson
Maximilian Balandat
E. Bakshy
49
69
0
08 Jan 2025
Regret Analysis for Randomized Gaussian Process Upper Confidence Bound
Shion Takeno
Yu Inatsu
Masayuki Karasuyama
35
0
0
02 Sep 2024
SCORE: A 1D Reparameterization Technique to Break Bayesian Optimization's Curse of Dimensionality
Joseph Chakar
32
0
0
18 Jun 2024
Bayesian optimization for stable properties amid processing fluctuations in sputter deposition
Ankit Shrivastava
M. Kalaswad
Joyce O. Custer
David P. Adams
H. Najm
19
3
0
06 May 2024
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
Ahmed Shoyeb Raihan
H. Khosravi
Srinjoy Das
Imtiaz Ahmed
31
3
0
16 Nov 2023
Bayesian Optimisation Against Climate Change: Applications and Benchmarks
Sigrid Passano Hellan
Christopher G. Lucas
Nigel H. Goddard
34
1
0
07 Jun 2023
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
Shion Takeno
Yu Inatsu
Masayuki Karasuyama
30
13
0
03 Feb 2023
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
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
Lingxiao Yuan
Harold S. Park
Emma Lejeune
OOD
AI4CE
33
17
0
29 Jun 2022
Benchmarking Active Learning Strategies for Materials Optimization and Discovery
Alex Wang
Haotong Liang
A. McDannald
Ichiro Takeuchi
A. Kusne
11
18
0
12 Apr 2022
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
Adarsh Dave
Jared M. Mitchell
S. Burke
Hongyi Lin
J. Whitacre
V. Viswanathan
10
70
0
23 Nov 2021
Opportunities for Machine Learning to Accelerate Halide Perovskite Commercialization and Scale-Up
Rishi E. Kumar
A. Tiihonen
Shijing Sun
D. Fenning
Zhe Liu
Tonio Buonassisi
17
10
0
08 Oct 2021
Machine Learning with Knowledge Constraints for Process Optimization of Open-Air Perovskite Solar Cell Manufacturing
Zhe Liu
Nicholas Rolston
Austin C. Flick
T. Colburn
Zekun Ren
R. Dauskardt
Tonio Buonassisi
27
116
0
01 Oct 2021
EXPObench: Benchmarking Surrogate-based Optimisation Algorithms on Expensive Black-box Functions
Laurens Bliek
Arthur Guijt
R. Karlsson
S. Verwer
Mathijs de Weerdt
12
13
0
08 Jun 2021
Accelerating high-throughput virtual screening through molecular pool-based active learning
David E. Graff
E. Shakhnovich
Connor W. Coley
87
142
0
13 Dec 2020
Variable selection for Gaussian processes via sensitivity analysis of the posterior predictive distribution
Topi Paananen
Juho Piironen
Michael Riis Andersen
Aki Vehtari
81
50
0
21 Dec 2017
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