Domain Knowledge Injection in Bayesian Search for New Materials

Domain Knowledge Injection in Bayesian Search for New Materials

26 November 2023

Xenophon Evangelopoulos

Joseph C. R. Thacker

Andrew I. Cooper

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Papers citing "Domain Knowledge Injection in Bayesian Search for New Materials"

10 / 10 papers shown

Title
Language-Based Bayesian Optimization Research Assistant (BORA) A. Cissé Xenophon Evangelopoulos V. Gusev Andrew I. Cooper 107 1 0 28 Jan 2025
Fast Bayesian Optimization of Needle-in-a-Haystack Problems using Zooming Memory-Based Initialization (ZoMBI) Alexander E. Siemenn Zekun Ren Qianxiao Li Tonio Buonassisi 79 27 0 26 Aug 2022
AutoGluon-Tabular: Robust and Accurate AutoML for Structured Data Nick Erickson Jonas W. Mueller Alexander Shirkov Hang Zhang Pedro Larroy Mu Li Alex Smola LMTD 218 628 0 13 Mar 2020
Provably Efficient Online Hyperparameter Optimization with Population-Based Bandits Jack Parker-Holder Vu Nguyen Stephen J. Roberts OffRL 134 86 0 06 Feb 2020
Bayesian Optimization for Iterative Learning Vu-Linh Nguyen Sebastian Schulze Michael A. Osborne BDL 83 33 0 20 Sep 2019
Accelerating Experimental Design by Incorporating Experimenter Hunches Cheng Li Santu Rana Sunil R. Gupta Vu Nguyen Svetha Venkatesh ... David Rubín de Celis Leal Teo Slezak Murray Height M. Mohammed I. Gibson 71 33 0 22 Jul 2019
BOCK : Bayesian Optimization with Cylindrical Kernels Changyong Oh E. Gavves Max Welling 59 136 0 05 Jun 2018
Parallel and Distributed Thompson Sampling for Large-scale Accelerated Exploration of Chemical Space José Miguel Hernández-Lobato James Requeima Edward O. Pyzer-Knapp Alán Aspuru-Guzik 76 185 0 06 Jun 2017
Predictive Entropy Search for Bayesian Optimization with Unknown Constraints José Miguel Hernández-Lobato M. Gelbart Matthew W. Hoffman Ryan P. Adams Zoubin Ghahramani 66 153 0 18 Feb 2015
Practical Bayesian Optimization of Machine Learning Algorithms Jasper Snoek Hugo Larochelle Ryan P. Adams 373 7,957 0 13 Jun 2012

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