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Journal Articles
- 2021
[j2]Florian Häse
, Matteo Aldeghi, Riley J. Hickman, Loïc M. Roch, Melodie Christensen, Elena Liles, Jason E. Hein, Alán Aspuru-Guzik:
Olympus: a benchmarking framework for noisy optimization and experiment planning. Mach. Learn. Sci. Technol. 2(3): 35021 (2021)- 2020
- [j1]Robert A. Lang, Riley J. Hickman, Tao Zeng:
VHEGEN: A vibronic Hamiltonian expansion generator for trigonal and tetragonal polyatomic systems. Comput. Phys. Commun. 247 (2020)
Informal and Other Publications
- 2022
- [i6]Riley J. Hickman, Matteo Aldeghi, Florian Häse, Alán Aspuru-Guzik:
Bayesian optimization with known experimental and design constraints for chemistry applications. CoRR abs/2203.17241 (2022) - [i5]Gary Tom, Riley J. Hickman, Aniket Zinzuwadia, Afshan Mohajeri, Benjamín Sánchez-Lengeling, Alán Aspuru-Guzik:
Calibration and generalizability of probabilistic models on low-data chemical datasets with DIONYSUS. CoRR abs/2212.01574 (2022) - 2021
- [i4]AkshatKumar Nigam, Robert Pollice, Matthew F. D. Hurley, Riley J. Hickman, Matteo Aldeghi, Naruki Yoshikawa, Seyone Chithrananda, Vincent A. Voelz, Alán Aspuru-Guzik:
Assigning Confidence to Molecular Property Prediction. CoRR abs/2102.11439 (2021) - [i3]Riley J. Hickman, Florian Häse, Loïc M. Roch, Alán Aspuru-Guzik:
Gemini: Dynamic Bias Correction for Autonomous Experimentation and Molecular Simulation. CoRR abs/2103.03391 (2021) - [i2]Matteo Aldeghi, Florian Häse, Riley J. Hickman, Isaac Tamblyn, Alán Aspuru-Guzik:
Golem: An algorithm for robust experiment and process optimization. CoRR abs/2103.03716 (2021) - 2020
- [i1]Florian Häse, Matteo Aldeghi, Riley J. Hickman, Loïc M. Roch, Melodie Christensen, Elena Liles, Jason E. Hein, Alán Aspuru-Guzik:
Olympus: a benchmarking framework for noisy optimization and experiment planning. CoRR abs/2010.04153 (2020)
Coauthor Index
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