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Robert Tracey

dblp:276/6318 · DBLP profile ↗
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1ranked-venue papers
0as first author
1since 2021 · last 2024
—ORCID · none

Domains — the database's venue-derived domains; a paper can count in several

Artificial intelligence and machine learning · 1 · 1 since 2021Graphics, computer vision, multimedia, augmented reality and games · 1 · 1 since 2021

Expertise — from the expertise taxonomy: the topics of the expert's papers under the CCF categories. A weight counts papers with recency: 1 for a paper about the topic, 0.3 when the topic is its context, halved every five years.

Interdisciplinary, comprehensive, and emerging computing
1 paper
Computational science and engineering · 50% Bioinformatics and computational biology · 50%
Artificial intelligence
1 paper
Reinforcement learning · 62% Generative modeling · 38%

Topics — the 5 heaviest of 6, each with the papers that count most for it

TopicWeightPapersLastEvidence papers
Machine learning › Reinforcement learning › hierarchical reinforcement learning
modular reinforcement learning
0.812024
MANDREL: Modular Reinforcement Learning Pipelines for Material Discovery · AAAI 2024
Computational science and engineering › materials science
materials discovery
0.812024
MANDREL: Modular Reinforcement Learning Pipelines for Material Discovery · AAAI 2024
Bioinformatics and computational biology › molecular informatics
molecular design
0.812024
MANDREL: Modular Reinforcement Learning Pipelines for Material Discovery · AAAI 2024
Machine learning › Generative modeling › molecular generation
molecular design
0.212024
MANDREL: Modular Reinforcement Learning Pipelines for Material Discovery · AAAI 2024
Machine learning › Generative modeling
molecular generation
0.212024
MANDREL: Modular Reinforcement Learning Pipelines for Material Discovery · AAAI 2024

Methods — techniques the papers use, named apart from their topics

reinforcement learning · 1.5
YearPublicationVenuePosition
2024 MANDREL: Modular Reinforcement Learning Pipelines for Material Discovery
abstract
AI-driven materials discovery is evolving rapidly with new approaches and pipelines for experimentation and design. However, the pipelines are often designed in isolation. We introduce a modular reinforcement learning framework for inter-operable experimentation and design of tailored, novel molecular species. The framework unifies reinforcement learning (RL) pipelines and allows the mixing and matching of choices for the underlying chemical action space, molecular representation, desired molecular properties, and RL algorithm. Our demo showcases the framework's capabilities applied to benchmark problems like quantitative estimate of drug-likeness and PLogP, as well as the design of novel small molecule solvents for carbon capture.
Clyde Fare, George K. Holt, Lamogha Chiazor, Michail Smyrnakis, Robert Tracey, Lan Hoang
AAAI5