Reinforcement learning for generative ai: State of the art, opportunities and open research challenges

G Franceschelli, M Musolesi - Journal of Artificial Intelligence Research, 2024 - jair.org
Abstract Generative Artificial Intelligence (AI) is one of the most exciting developments in
Computer Science of the last decade. At the same time, Reinforcement Learning (RL) has …

Curiosity in exploring chemical spaces: intrinsic rewards for molecular reinforcement learning

LA Thiede, M Krenn, AK Nigam… - … Learning: Science and …, 2022 - iopscience.iop.org
Computer aided design of molecules has the potential to disrupt the field of drug and
material discovery. Machine learning and deep learning in particular, made big strides in …

Benchmarking study of deep generative models for inverse polymer design

T Yue, L Tao, V Varshney, Y Li - Digital Discovery, 2025 - pubs.rsc.org
Molecular generative models based on deep learning have increasingly gained attention for
their ability in de novo polymer design. However, there remains a knowledge gap in the …