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A deep learning model for structure-based bioactivity optimization and its application in the bioactivity optimization of a SARS-CoV-2 main protease inhibitor 期刊论文
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2025, 卷号: 291, 页码: 16
作者:  Yang, Zhenyu;  Wang, Kai;  Zhang, Guo;  Jiang, Yuanyuan;  Zeng, Rui;  Qiao, Jingxin;  Li, Yueyue;  Deng, Xinyue;  Xia, Ziyi;  Yao, Rui;  Zeng, Xiaoxi;  Zhang, Liyun;  Zhao, Yi;  Lei, Jian;  Chen, Runsheng
收藏  |  浏览/下载：7/0  |  提交时间：2025/06/25
Structure-based bioactivity optimization  Deep-learning model  SARS-CoV-2 main protease  Molecular scaffold  Pocket-StrMod  
Enhancing spatiotemporal prediction through the integration of Mamba state space models and Diffusion Transformers 期刊论文
KNOWLEDGE-BASED SYSTEMS, 2025, 卷号: 316, 页码: 11
作者:  Zeng, Hansheng;  Li, Yuqi;  Niu, Ruize;  Yang, Chuanguang;  Wen, Shiping
收藏  |  浏览/下载：1/0  |  提交时间：2025/06/25
Deep learning  Spatio-temporal prediction  Mamba  Diffusion  
DeePMD-kit v3: A Multiple-Backend Framework for Machine Learning Potentials 期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2025, 卷号: 21, 期号: 9, 页码: 4375-4385
作者:  Zeng, Jinzhe;  Zhang, Duo;  Peng, Anyang;  Zhang, Xiangyu;  He, Sensen;  Wang, Yan;  Liu, Xinzijian;  Bi, Hangrui;  Li, Yifan;  Cai, Chun;  Zhang, Chengqian;  Du, Yiming;  Zhu, Jia-Xin;  Mo, Pinghui;  Huang, Zhengtao;  Zeng, Qiyu;  Shi, Shaochen;  Qin, Xuejian;  Yu, Zhaoxi;  Luo, Chenxing;  Ding, Ye;  Liu, Yun-Pei;  Shi, Ruosong;  Wang, Zhenyu;  Bore, Sigbjorn Loland;  Chang, Junhan;  Deng, Zhe;  Ding, Zhaohan;  Han, Siyuan;  Jiang, Wanrun;  Ke, Guolin;  Liu, Zhaoqing;  Lu, Denghui;  Muraoka, Koki;  Oliaei, Hananeh;  Singh, Anurag Kumar;  Que, Haohui;  Xu, Weihong;  Xu, Zhangmancang;  Zhuang, Yong-Bin;  Dai, Jiayu;  Giese, Timothy J.;  Jia, Weile;  Xu, Ben;  York, Darrin M.;  Zhang, Linfeng;  Wang, Han
收藏  |  浏览/下载：5/0  |  提交时间：2025/06/25
Multitask-Based Self-Supervised Learning for Recommendation in Social Systems 期刊论文
IEEE TRANSACTIONS ON COMPUTATIONAL SOCIAL SYSTEMS, 2024, 页码: 12
作者:  Xu, Wenjian;  Zeng, Fanxiang;  Zhang, Nan;  Gao, Honghao;  Yin, Yuyu;  Chen, Zulong;  Huang, Maolei;  Wan, Jian
收藏  |  浏览/下载：6/0  |  提交时间：2025/06/25
Data models  Predictive models  Heavily-tailed distribution  Feature extraction  Representation learning  Recommender systems  Electronic mail  Computational modeling  Poles and towers  Data mining  Click-through rate (CTR) prediction  large-scale knowledge discovery  multitask learning  representation learning  user behavior modeling  
DPA-2: a large atomic model as a multi-task learner 期刊论文
NPJ COMPUTATIONAL MATERIALS, 2024, 卷号: 10, 期号: 1, 页码: 15
作者:  Zhang, Duo;  Liu, Xinzijian;  Zhang, Xiangyu;  Zhang, Chengqian;  Cai, Chun;  Bi, Hangrui;  Du, Yiming;  Qin, Xuejian;  Peng, Anyang;  Huang, Jiameng;  Li, Bowen;  Shan, Yifan;  Zeng, Jinzhe;  Zhang, Yuzhi;  Liu, Siyuan;  Li, Yifan;  Chang, Junhan;  Wang, Xinyan;  Zhou, Shuo;  Liu, Jianchuan;  Luo, Xiaoshan;  Wang, Zhenyu;  Jiang, Wanrun;  Wu, Jing;  Yang, Yudi;  Yang, Jiyuan;  Yang, Manyi;  Gong, Fu-Qiang;  Zhang, Linshuang;  Shi, Mengchao;  Dai, Fu-Zhi;  York, Darrin M.;  Liu, Shi;  Zhu, Tong;  Zhong, Zhicheng;  Lv, Jian;  Cheng, Jun;  Jia, Weile;  Chen, Mohan;  Ke, Guolin;  Weinan, E.;  Zhang, Linfeng;  Wang, Han
收藏  |  浏览/下载：6/0  |  提交时间：2025/06/25
RIVL: A Low-Cost SoC Agile Development Platform for Multiple RISC-V Processors Design and Verification 期刊论文
IEEE TRANSACTIONS ON CIRCUITS AND SYSTEMS I-REGULAR PAPERS, 2024, 页码: 11
作者:  Xu, Lida;  Cao, Zewen;  Zhao, Hualong;  Peng, Zhuo;  Miao, Yuchi;  Zhuang, Chunan;  Ruan, Hongrui;  Dong, Yuying;  Zeng, Chuanbin;  Li, Bo;  Luo, Jiajun
收藏  |  浏览/下载：5/0  |  提交时间：2025/06/25
Program processors  Hardware  Chip scale packaging  Design methodology  Costs  Object oriented modeling  Complexity theory  Testing  Registers  Prototypes  Agile methodology  object-oriented hardware  RISC-V  low-cost  integration  verification  open source  
Sequential Manipulation Against Rank Aggregation: Theory and Algorithm 期刊论文
IEEE TRANSACTIONS ON PATTERN ANALYSIS AND MACHINE INTELLIGENCE, 2024, 卷号: 46, 期号: 12, 页码: 9353-9370
作者:  Ma, Ke;  Xu, Qianqian;  Zeng, Jinshan;  Liu, Wei;  Cao, Xiaochun;  Sun, Yingfei;  Huang, Qingming
收藏  |  浏览/下载：3/0  |  提交时间：2025/06/25
Online manipulation  adversarial learning  pairwise comparison  ranking aggregation  
A Survey on Causal Reinforcement Learning 期刊论文
IEEE TRANSACTIONS ON NEURAL NETWORKS AND LEARNING SYSTEMS, 2024, 页码: 21
作者:  Zeng, Yan;  Cai, Ruichu;  Sun, Fuchun;  Huang, Libo;  Hao, Zhifeng
收藏  |  浏览/下载：2/0  |  提交时间：2025/06/25
Cause effect analysis  Surveys  Mathematical models  Drugs  Sun  Reviews  Reinforcement learning  Decision making  Data models  Computer science  Causal discovery  causal inference  causal reinforcement learning (CRL)  Markov decision process (MDP)  sequential decision-making  
HERB 2.0: an updated database integrating clinical and experimental evidence for traditional Chinese medicine 期刊论文
NUCLEIC ACIDS RESEARCH, 2024, 页码: 11
作者:  Gao, Kai;  Liu, Liu;  Lei, Shuangshuang;  Li, Zhinong;  Huo, Peipei;  Wang, Zhihao;  Dong, Lei;  Deng, Wenxin;  Bu, Dechao;  Zeng, Xiaoxi;  Li, Chun;  Zhao, Yi;  Zhang, Wei;  Wang, Wei;  Wu, Yang
收藏  |  浏览/下载：5/0  |  提交时间：2025/06/25
Medical image reconstruction with multi-level deep learning denoiser and tight frame regularization 期刊论文
APPLIED MATHEMATICS AND COMPUTATION, 2024, 卷号: 477, 页码: 19
作者:  Wu, Tingting;  Huang, Chaoyan;  Jia, Shilong;  Li, Wei;  Chan, Raymond;  Zeng, Tieyong;  Zhou, S. Kevin
收藏  |  浏览/下载：21/0  |  提交时间：2024/12/06
Medical image reconstruction  Multi-level wavelet convolutional neural  network  Tight frame  Proximal alternating minimization  Magnetic resonance imaging  Positron emission tomography