Finetuning-Free Diffusion Model with Adaptive Constraint Guidance for Inorganic Crystal Structure Generation
无需微调的扩散模型结合自适应约束引导用于无机晶体结构生成
Auguste de Lambilly, Vladimir Baturin, David Portehault, Guillaume Lambard, Nataliya Sokolovska, Florence d'Alché-Buc, Jean-Claude Crivello
机构
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CNRS-Saint-Gobain-NIMS(法国国家科学研究中心-圣戈班-日本纳米科学研究所)
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Laboratory for Innovative Key Materials and Structures (LINK)(创新关键材料与结构实验室)
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Laboratory of Computational, Quantitative, and Synthetic Biology (CQSB)(计算、定量与合成生物学实验室)
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Data-driven Materials Design Group(数据驱动材料设计组)
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Center for Basic Research on Materials(材料基础研究中心)
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LTCI, Télécom Paris, Institut Polytechnique de Paris(LTCI,巴黎电信,巴黎理工学院)
机构
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Shandong Key Laboratory of Ubiquitous Intelligent Computing, School of Information Science and Engineering, University of Jinan(山东省 Ubiquitous Intelligent Computing 重点实验室,济南大学信息科学与工程学院)
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College of Information Science and Technology & Artificial Intelligence, Nanjing Forestry University(信息科学与技术及人工智能学院,南京林业大学)
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Department of Informatics, Modeling, Electronics, and Systems, University of Calabria(信息学、建模、电子与系统系,卡利博大学)
机构
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Brain-inspired Cognitive AI Lab, Institute of Automation, Chinese Academy of Sciences, Beijing, China(脑启发认知人工智能实验室,自动化研究所,中国科学院,北京,中国)
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Beijing Institute of AI Safety and Governance, China(北京人工智能安全与治理研究院,中国)
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State Key Laboratory of Brain Cognition and Brain-inspired Intelligence Technology(脑认知与脑启发智能技术国家重点实验室)
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Beijing Key Laboratory of Safe AI and Superalignment, China(北京安全人工智能与超对齐重点实验室,中国)
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University of Chinese Academy of Sciences (UCAS), Beijing, China(中国科学院大学(UCAS),北京,中国)
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Long-term AI,Beijing,China(长期人工智能,北京,中国)