SEISMO: Increasing Sample Efficiency in Molecular Optimization with a Trajectory-Aware LLM Agent
SEISMO:通过轨迹感知的LLM代理提高分子优化的样本效率
Fabian P. Krüger, Andrea Hunklinger, Adrian Wolny, Tim J. Adler, Igor Tetko, Santiago David Villalba
机构
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Technical University of Munich, Germany(慕尼黑技术大学,德国)
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TUM School of Computation, Information(TUM计算、信息学院)
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Technology, Department of Mathematics(技术学院,数学系)
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Helmholtz Munich – German Research Center for Environmental Health (GmbH), Institute of Structural Biology, Molecular Targets(海德堡慕尼黑德国环境健康研究所以及结构生物学研究所,分子靶点)
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Therapeutics Center, 85764 Neuherberg, Germany(治疗中心,德国新赫尔伯格85764)
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Machine Learning Research(机器学习研究)
Learning to Drive in New Cities Without Human Demonstrations
在没有人类示范的情况下学习新城市的驾驶
Zilin Wang, Saeed Rahmani, Daphne Cornelisse, Bidipta Sarkar, Alexander David Goldie, Jakob Nicolaus Foerster, Shimon Whiteson
机构
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WhiRL, University of Oxford(WhiRL,牛津大学)
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FLAIR, University of Oxford(FLAIR,牛津大学)
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Delft University of Technology(代尔夫特理工大学)
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NYU Tandon School of Engineering(纽约大学工程学院)
CommentsVIRENA is under active development and currently in use at the University of Zurich. This preprint will be updated as new features are released. For the latest version and to inquire about demos or pilot collaborations, contact the authors