NEAT: Neighborhood-Guided, Efficient, Autoregressive Set Transformer for 3D Molecular Generation
NEAT:基于邻域指导、高效、自回归的集合变换器用于3D分子生成
Daniel Rose, Roxane Axel Jacob, Johannes Kirchmair, Thierry Langer
机构
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Department of Pharmaceutical Sciences, University of Vienna(维也纳大学药学系)
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Christian Doppler Laboratory for Molecular Informatics in the Biosciences(生物医学分子信息学克里斯蒂安·多普勒实验室)
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Vienna Doctoral School of Pharmaceutical, Nutritional and Sport Sciences(维也纳药学、营养学和运动科学博士学院)
机构
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School of Computer Science and Engineering, Sun Yat-sen University, Guangzhou, China(中山大学计算机科学与工程学院)
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Guangdong Key Laboratory of Big Data Analysis and Processing(大数据分析与处理广东省重点实验室)
ProFlow: Zero-Shot Physics-Consistent Sampling via Proximal Flow Guidance
ProFlow:通过近端流引导实现零样本物理一致采样
Zichao Yu, Ming Li, Wenyi Zhang, Difan Zou, Weiguo Gao
机构
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University of Science
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School of Mathematical Sciences, Fudan University, Shanghai 200433, China
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Department of Electronic Engineering
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Information Science, University of Science
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School of Computing
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Data Science, The University of Hong Kong
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School of Mathematical Sciences, Fudan University, Shanghai 200433, China \& Shanghai Key Laboratory of Contemporary Applied Mathematics, Shanghai 200433, China
Transport-Coupled Bayesian Flows for Molecular Graph Generation
耦合贝叶斯流的分子图生成
Yida Xiong, Jiameng Chen, Kun Li, Hongzhi Zhang, Xiantao Cai, Jia Wu, Wenbin Hu
机构
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School of Computer Science, Wuhan University(武汉大学计算机学院)
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Department of Computing, Macquarie University(麦考瑞大学计算系)
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Wuhan University Shenzhen Research Institute(武汉大学深圳研究院)
Non-thermal particle acceleration in multi-species kinetic plasmas: universal power-law distribution functions and temperature inversion in the solar corona
CommentsSubmitted to Physics of Plasmas (invited paper for the 67th Annual Meeting of the APS Division of Plasma Physics); 20 pages, 7 figures, 1 table; comments welcome
机构
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Department of Computer Science, Rice University(计算机科学系,里士大学)
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Department of Computer and Data Sciences, Case Western Reserve University(计算机与数据科学系,凯斯西储大学)
Variationally correct operator learning: Reduced basis neural operator with a posteriori error estimation
变分正确的算子学习:带有后验误差估计的降阶神经算子
Yuan Qiu, Wolfgang Dahmen, Peng Chen
机构
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School of Computational Science and Engineering(计算科学与工程学院)
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Georgia Institute of Technology(佐治亚理工学院)
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Department of Mathematics(数学系)
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University of South Carolina(南卡罗来纳大学)