Knowledge-integrated machine learning for materials: lessons from gameplaying and robotics

K Hippalgaonkar, Q Li, X Wang, JW Fisher III… - Nature Reviews …, 2023 - nature.com
As materials researchers increasingly embrace machine-learning (ML) methods, it is natural
to wonder what lessons can be learned from other fields undergoing similar developments …

Recent advances in Bayesian optimization

X Wang, Y **, S Schmitt, M Olhofer - ACM Computing Surveys, 2023 - dl.acm.org
Bayesian optimization has emerged at the forefront of expensive black-box optimization due
to its data efficiency. Recent years have witnessed a proliferation of studies on the …

Bayesian optimization for adaptive experimental design: A review

S Greenhill, S Rana, S Gupta, P Vellanki… - IEEE …, 2020 - ieeexplore.ieee.org
Bayesian optimisation is a statistical method that efficiently models and optimises expensive
“black-box” functions. This review considers the application of Bayesian optimisation to …

Parallelised Bayesian optimisation via Thompson sampling

K Kandasamy, A Krishnamurthy… - International …, 2018 - proceedings.mlr.press
We design and analyse variations of the classical Thompson sampling (TS) procedure for
Bayesian optimisation (BO) in settings where function evaluations are expensive but can be …

Tuning hyperparameters without grad students: Scalable and robust bayesian optimisation with dragonfly

K Kandasamy, KR Vysyaraju, W Neiswanger… - Journal of Machine …, 2020 - jmlr.org
Bayesian Optimisation (BO) refers to a suite of techniques for global optimisation of
expensive black box functions, which use introspective Bayesian models of the function to …