activity
20172023
most citedLearning to Plan Chemical Syntheses

2k citations · 2.2k across the 27 of their papers we have counts for

collaborators

28 papers

cs.AI2023★ 33 cited

Models Matter: The Impact of Single-Step Retrosynthesis on Synthesis Planning

Paula Torren-Peraire, Alan Kai Hassen, Samuel Genheden +4

Retrosynthesis consists of breaking down a chemical compound recursively step-by-step into molecular precursors until a set of commercially available molecules is found with the go…

cs.LG2023

Two-Memory Reinforcement Learning

Zhao Yang, Thomas. M. Moerland, Mike Preuss +1

While deep reinforcement learning has shown important empirical success, it tends to learn relatively slow due to slow propagation of rewards information and slow update of paramet…

cs.LG2023

First Go, then Post-Explore: the Benefits of Post-Exploration in Intrinsic Motivation

Zhao Yang, Thomas M. Moerland, Mike Preuss +1

Go-Explore achieved breakthrough performance on challenging reinforcement learning (RL) tasks with sparse rewards. The key insight of Go-Explore was that successful exploration req…

physics.chem-ph2022★ 6 cited

Mind the Retrosynthesis Gap: Bridging the divide between Single-step and Multi-step Retrosynthesis Prediction

Alan Kai Hassen, Paula Torren-Peraire, Samuel Genheden +3

Retrosynthesis is the task of breaking down a chemical compound recursively step-by-step into molecular precursors until a set of commercially available molecules is found. Consequ…

cs.LG2022

On the Verge of Solving Rocket League using Deep Reinforcement Learning and Sim-to-sim Transfer

Marco Pleines, Konstantin Ramthun, Yannik Wegener +12

Autonomously trained agents that are supposed to play video games reasonably well rely either on fast simulation speeds or heavy parallelization across thousands of machines runnin…

cs.LG2022★ 10 cited

Generalization, Mayhems and Limits in Recurrent Proximal Policy Optimization

Marco Pleines, Matthias Pallasch, Frank Zimmer +1

At first sight it may seem straightforward to use recurrent layers in Deep Reinforcement Learning algorithms to enable agents to make use of memory in the setting of partially obse…