Published in Materials Horizons, 2024
Recommended citation: Andrew Novick, Diana Cai, Quan Nguyen, Roman Garnett, Ryan P Adams, Eric Toberer. Probabilistic Prediction of Material Stability: Integrating Convex Hulls into Active Learning. Materials Horizons, 2024.
Published in Physical Review Materials, 2023
We apply sampling techniques from classical statistics to model the mixing thermodynamics and local structure of high-entropy alloys.
Recommended citation: Andrew Novick, Quan Nguyen, Roman Garnett, Eric Toberer, and Vladan Stevanović. Simulating high-entropy alloys at finite temperatures: An uncertainty-based approach. Phys. Rev. Materials 7, 063801, 2023.
Published in Advances in Neural Information Processing Systems (NeurIPS), 2022
We tackle local Bayesian optimization for high-dimensional problems and propose a novel and principled method maximizing the probability that we will make progres.
Recommended citation: Quan Nguyen, Kaiwen Wu, Jacob R. Gardner, and Roman Garnett. Local Bayesian optimization via maximizing probability of descent. Advances in Neural Information Processing Systems (NeurIPS), 2022.
Published in International Conference on Artificial Intelligence and Statistics, 2022
We extend the active search problem to the multiclass setting in which we aim to discover a diverse set of targets.
Recommended citation: Quan Nguyen and Roman Garnett. Nonmyopic Multiclass Active Search with Diminishing Returns for Diverse Discovery. International Conference on Artificial Intelligence and Statistics (AISTATS), 2023.
Published in IEEE Visualization Conference (VIS), 2022
We propose the Active Visual Analytics technique (ActiveVA), an augmentation of interactive visualizations with active search to aid data foraging and information extraction.
Recommended citation: Shayan Monadjemi, Sunwoo Ha, Quan Nguyen, Henry Chai, Roman Garnett, and Alvitta Ottley. Active Visual Analytics: Assisted Data Discovery in Interactive Visualizations via Active Search. IEEE Visualization Conference (VIS), 2020.
Published in Journal of Chemical Information and Modeling, 2021
We apply active search to identify azoarene photoswitches with many chemical desiderata such as high light absorbance and long half-lives.
Recommended citation: Fatemah Mukadum, Quan Nguyen, Daniel Adrion, Gabriel Appleby, Rui Chen, Haley Dang, Remco Chang, Roman Garnett, Steven Lopez. Efficient Discovery of Visible Light-Activated Azoarene Photoswitches With Long Half-Lives Using Active Search. Journal of Chemical Information and Modeling, 2021.
Published in International Conference on Machine Learning, 2021
We extend the active search problem to the multifidelity setting in which multiple oracles may be queried simultaneously at different costs and accuracies.
Recommended citation: Quan Nguyen, Arghavan Modiri, and Roman Garnett. Nonmyopic Multifidelity Active Search. International Conference on Machine Learning (ICML), 2021.
Published in AAAI Conference on Artificial Intelligence, 2021
We study the so-called Price of Fairness quantity of various fair assignment objective and characterize cost distributions for which this quantity is high.
Recommended citation: Quan Nguyen, Sanmay Das, and Roman Garnett. Scarce Societal Resource Allocation and the Price of (Local) Fairness. AAAI Conference on Artificial Intelligence, 2021.