Reading the Cell, Designing the Cure: Perturbation-Conditioned Molecular Diffusion for Function-Oriented Drug Design
解读细胞,设计治愈:基于扰动条件的分子扩散用于功能导向的药物设计
Ziyu Xu, Zijian Zhang, Liang Wang, Zhiyuan Liu, Qiang Liu, Shu Wu, Liang Wang
机构
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School of Advanced Interdisciplinary Sciences, University of Chinese Academy of Sciences, Beijing, China(中国科学院大学先进交叉学科学院)
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NLPR, MAIS, Institute of Automation, Chinese Academy of Sciences, Beijing, China(中国科学院自动化研究所)
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School of Artificial Intelligence, University of Chinese Academy of Sciences, Beijing, China(中国科学院大学人工智能学院)
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National University of Singapore, Singapore(新加坡国立大学)
机构
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Hefei University of Technology(合肥工业大学)
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Key Laboratory of Knowledge Engineering with Big Data (Hefei University of Technology), Ministry of Education(知识工程与大数据重点实验室(合肥工业大学))
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School of Computer Science and Information Engineering, Hefei University of Technology(计算机科学与信息工程学院)
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Intelligent Interconnected Systems Laboratory of Anhui Province (Hefei University of Technology)(安徽省智能互联系统实验室(合肥工业大学))
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School of Computer Science, Nanjing Audit University(南京审计大学计算机学院)
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College of Cyber Science and Technology, Hunan University(湖南大学计算机科学与技术学院)
机构
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State Key Laboratory of AI Safety, Institute of Computing Technology, Chinese Academy of Sciences, Beijing, China(中国科学院人工智能安全国家重点实验室,计算技术研究所,北京,中国)
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University of Chinese Academy of Sciences, Beijing, China(中国科学院大学,北京,中国)
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China University of Mining & Technology, Beijing(中国矿业大学(北京))
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ETH Zürich(苏黎世联邦理工学院)
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City College of New York, City University of New York(纽约城市学院,纽约城市大学)
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Xiamen Institute of Data Intelligence, Xiamen, China(厦门数据智能研究院,厦门,中国)
Tinghui Zhu, Sheng Zhang, James Y. Huang, Selena Song, Xiaofei Wen, Yuankai Li, Hoifung Poon, Muhao Chen
机构
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University of California, Davis(加州大学戴维斯分校)
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Microsoft Research(微软研究院)
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University of Southern California(南加州大学)
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University of California, Santa Cruz(加州大学圣克鲁兹分校)
机构
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Tencent(腾讯)
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National University of Singapore(新加坡国立大学)
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The Hong Kong Polytechnic University(香港理工大学)
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The Hong Kong University of Science and Technology (Guangzhou)(香港科学与技术大学(广州))
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University of Chinese Academy of Sciences(中国科学院大学)
Entropy Across the Bridge: Conditional-Marginal Discretization for Flow and Schrödinger Samplers
熵跨桥梁:用于流和薛定谔采样的条件-边缘离散化
Bruno Trentini, Dejan Stancevic, Michael M. Bronstein, Alexander Tong, Luca Ambrogioni
机构
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NVIDIA Corporation(NVIDIA公司)
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University of Oxford(牛津大学)
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Donders Institute for Brain, Cognition, and Behaviour(大脑与行为研究所)
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AITHYRA, Research Institute for Biomedical AI(生物医学人工智能研究所)
CommentsThis paper was originally published in Sparago, P. "A Counterexample to Small-Time Limit Theorems for Stochastic Processes", Theory of Probability & Its Applications, Vol. 71, Iss. 1 (2026) https://doi.org/10.1137/S0040585X97T992847. This version contains minor corrections to: (i) premise to Lemma 2 at the beginning of Section 2.2; (ii) second part of the proof of Lemma 14