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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…
Adaptive Warm-Start MCTS in AlphaZero-like Deep Reinforcement Learning
Hui Wang, Mike Preuss, Aske Plaat
AlphaZero has achieved impressive performance in deep reinforcement learning by utilizing an architecture that combines search and training of a neural network in self-play. Many r…
Transfer Learning and Curriculum Learning in Sokoban
Zhao Yang, Mike Preuss, Aske Plaat
Transfer learning can speed up training in machine learning and is regularly used in classification tasks. It reuses prior knowledge from other tasks to pre-train networks for new…
Tackling Morpion Solitaire with AlphaZero-likeRanked Reward Reinforcement Learning
Hui Wang, Mike Preuss, Michael Emmerich +1
Morpion Solitaire is a popular single player game, performed with paper and pencil. Due to its large state space (on the order of the game of Go) traditional search algorithms, suc…
Versatile Black-Box Optimization
Jialin Liu, Antoine Moreau, Mike Preuss +4
Choosing automatically the right algorithm using problem descriptors is a classical component of combinatorial optimization. It is also a good tool for making evolutionary algorith…
Warm-Start AlphaZero Self-Play Search Enhancements
Hui Wang, Mike Preuss, Aske Plaat
Recently, AlphaZero has achieved landmark results in deep reinforcement learning, by providing a single self-play architecture that learned three different games at super human lev…
A New Challenge: Approaching Tetris Link with AI
Matthias Muller-Brockhausen, Mike Preuss, Aske Plaat
Decades of research have been invested in making computer programs for playing games such as Chess and Go. This paper focuses on a new game, Tetris Link, a board game that is still…
From Chess and Atari to StarCraft and Beyond: How Game AI is Driving the World of AI
Sebastian Risi, Mike Preuss
This paper reviews the field of Game AI, which not only deals with creating agents that can play a certain game, but also with areas as diverse as creating game content automatical…
Learning to Plan Chemical Syntheses
Marwin H. S. Segler, Mike Preuss, Mark P. Waller
From medicines to materials, small organic molecules are indispensable for human well-being. To plan their syntheses, chemists employ a problem solving technique called retrosynthe…
Towards "AlphaChem": Chemical Synthesis Planning with Tree Search and Deep Neural Network Policies
Marwin Segler, Mike Preuß, Mark P. Waller
Retrosynthesis is a technique to plan the chemical synthesis of organic molecules, for example drugs, agro- and fine chemicals. In retrosynthesis, a search tree is built by analysi…