Olympus: a benchmarking framework for noisy optimization and experiment
planning

Olympus: a benchmarking framework for noisy optimization and experiment planning

8 October 2020

Riley J. Hickman

Alán Aspuru-Guzik

Papers citing "Olympus: a benchmarking framework for noisy optimization and experiment planning"

16 / 16 papers shown

Title
GOLLuM: Gaussian Process Optimized LLMs -- Reframing LLM Finetuning through Bayesian Optimization Bojana Ranković P. Schwaller BDL 172 0 0 08 Apr 2025
Posterior Sampling-Based Bayesian Optimization with Tighter Bayesian Regret Bounds Shion Takeno Yu Inatsu Masayuki Karasuyama Ichiro Takeuchi 34 6 0 07 Nov 2023
MetaBox: A Benchmark Platform for Meta-Black-Box Optimization with Reinforcement Learning Zeyuan Ma Hongshu Guo Jiacheng Chen Zhenrui Li Guojun Peng Yue-jiao Gong Yining Ma Zhiguang Cao OffRL 32 25 0 12 Oct 2023
PyPop7: A Pure-Python Library for Population-Based Black-Box Optimization Qiqi Duan Guochen Zhou Chang Shao Zhuowei Wang Mingyang Feng Yuwei Huang Yajing Tan Yijun Yang Qi Zhao Yuhui Shi 31 5 0 12 Dec 2022
GAUCHE: A Library for Gaussian Processes in Chemistry Ryan-Rhys Griffiths Leo Klarner Henry B. Moss Aditya Ravuri Sang T. Truong ... A. Lee Bingqing Cheng Alán Aspuru-Guzik P. Schwaller Jian Tang GP 30 40 0 06 Dec 2022
Graph Machine Learning for Design of High-Octane Fuels Jan G. Rittig Martin Ritzert Artur M. Schweidtmann Stefanie Winkler Jana M. Weber P. Morsch K. Heufer Martin Grohe Alexander Mitsos Manuel Dahmen 20 23 0 01 Jun 2022
Bayesian optimization with known experimental and design constraints for chemistry applications Riley J. Hickman Matteo Aldeghi Florian Hase A. Aspuru‐Guzik 13 21 0 29 Mar 2022
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 25 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 29 116 0 01 Oct 2021
HPOBench: A Collection of Reproducible Multi-Fidelity Benchmark Problems for HPO Katharina Eggensperger Philip Muller Neeratyoy Mallik Matthias Feurer René Sass Aaron Klein Noor H. Awad Marius Lindauer Frank Hutter 46 100 0 14 Sep 2021
Benchmarking the Performance of Bayesian Optimization across Multiple Experimental Materials Science Domains Qiaohao Liang Aldair E. Gongora Zekun Ren A. Tiihonen Zhe Liu ... K. Hippalgaonkar Benji Maruyama Keith A. Brown John W Fisher Iii Tonio Buonassisi 35 118 0 23 May 2021
Golem: An algorithm for robust experiment and process optimization Matteo Aldeghi Florian Hase Riley J. Hickman Isaac Tamblyn Alán Aspuru-Guzik 27 22 0 05 Mar 2021
Gemini: Dynamic Bias Correction for Autonomous Experimentation and Molecular Simulation Riley J. Hickman Florian Hase L. Roch Alán Aspuru-Guzik 12 4 0 05 Mar 2021
Gryffin: An algorithm for Bayesian optimization of categorical variables informed by expert knowledge Florian Hase Matteo Aldeghi Riley J. Hickman L. Roch Alán Aspuru-Guzik 47 104 0 26 Mar 2020
Achieving Robustness to Aleatoric Uncertainty with Heteroscedastic Bayesian Optimisation Ryan-Rhys Griffiths Alexander A. Aldrick Miguel García-Ortegón Vidhi R. Lalchand A. Lee 31 35 0 17 Oct 2019
MoleculeNet: A Benchmark for Molecular Machine Learning Zhenqin Wu Bharath Ramsundar Evan N. Feinberg Joseph Gomes C. Geniesse Aneesh S. Pappu K. Leswing Vijay S. Pande OOD 199 1,778 0 02 Mar 2017