Gustavo Malkomes

Principal Researcher, Lila Sciences

Joined

July 2019

Names

Gustavo Malkomes

Emails

****@gmail.com (Confirmed)

****@sigopt.com (Confirmed)

****@wustl.edu (Confirmed)

****@intel.com (Confirmed)

****@lila.ai (Confirmed)

Personal Links

Career & Education History

Principal Researcher

Lila Sciences (lila.ai)

2025 – Present

Researcher

Intel (intel.com)

2020 – 2025

Researcher

SigOpt (sigopt.com)

2019 – 2020

PhD student

Washington University, St. Louis (wustl.edu)

2014 – 2019

Advisors, Relations & Conflicts

PhD Advisor

Roman Garnett

2014 – 2019

Expertise

Bayesian optimization

2015 – Present

Automated machine learning

2014 – Present

Gaussian process

2014 – Present

Publications

On Multi-information source Constraint Active Search
Gustavo Malkomes, Santiago Miret, Bolong Cheng
- Published: 22 Nov 2022, Last Modified: 05 May 2023
- AI4Mat 2022 Poster
- Readers: Everyone
Group SELFIES: A Robust Fragment-Based Molecular String Representation
Austin Henry Cheng, Andy Cai, Santiago Miret, Gustavo Malkomes, Mariano Phielipp, Alan Aspuru-Guzik
- Published: 22 Nov 2022, Last Modified: 08 Feb 2026
- AI4Mat 2022 Poster
- Readers: Everyone
Bridging Offline and Online Experimentation: Constraint Active Search for Deployed Performance Optimization
Junpei Komiyama, Gustavo Malkomes, Bolong Cheng, Michael McCourt
- Accepted by TMLR
- Readers: Everyone
Group SELFIES: A Robust Fragment-Based Molecular String Representation
Austin Cheng, Andy Cai, Santiago Miret, Gustavo Malkomes, Mariano Phielipp, Alán Aspuru-Guzik
- 2022 (modified: 16 Apr 2023)
- CoRR 2022
- Readers: Everyone
Bridging Offline and Online Experimentation: Constraint Active Search for Deployed Performance Optimization
Junpei Komiyama, Gustavo Malkomes, Bolong Cheng, Michael McCourt
- Published: 01 Jan 2022, Last Modified: 29 Sept 2023
- Trans. Mach. Learn. Res. 2022
- Readers: Everyone
Beyond the Pareto Efficient Frontier: Constraint Active Search for Multiobjective Experimental Design
Gustavo Malkomes, Bolong Cheng, Eric Hans Lee, Mike Mccourt
- 2021 (modified: 03 Apr 2022)
- ICML 2021
- Readers: Everyone
Accelerating Psychometric Screening Tests With Bayesian Active Differential Selection
Trevor J. Larsen, Gustavo Malkomes, Dennis L. Barbour
- 2020 (modified: 05 Nov 2022)
- CoRR 2020
- Readers: Everyone
Automated cognitive modeling with Bayesian active model selection
Vishal Lall, Jordan W. Suchow, Gustavo Malkomes, Tom Griffiths
- 2019 (modified: 05 Nov 2022)
- CogSci 2019
- Readers: Everyone
Efficient nonmyopic batch active search
Shali Jiang, Gustavo Malkomes, Matthew Abbott, Benjamin Moseley, Roman Garnett
- 2018 (modified: 11 Nov 2022)
- NeurIPS 2018
- Readers: Everyone
Automating Bayesian optimization with Bayesian optimization
Gustavo Malkomes, Roman Garnett
- 2018 (modified: 11 Nov 2022)
- NeurIPS 2018
- Readers: Everyone

View all 21 publications

Co-Authors

View all 35 co-authors