中国科学院计算技术研究所机构知识库

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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
	Searching to extrapolate embedding for out-of-graph node representation learning 期刊论文 NEURAL NETWORKS, 2025, 卷号: 184, 页码: 15 作者:  Shen, Zhenqian;  Guo, Shuhan;  Wen, Yan;  Wei, Lanning;  Zhang, Wengang;  Luo, Yuanhai;  Wu, Chongwu;  Yao, Quanming 收藏  |  浏览/下载：3/0  |  提交时间：2025/06/25 Graph neural network  Neural architecture search  Graph embedding  Out-of-sample learning
	Gradient-aware domain-invariant learning for domain generalization 期刊论文 MULTIMEDIA SYSTEMS, 2025, 卷号: 31, 期号: 1, 页码: 15 作者:  Hou, Feng;  Zhang, Yao;  Liu, Yang;  Yuan, Jin;  Zhong, Cheng;  Zhang, Yang;  Shi, Zhongchao;  Fan, Jianping;  He, Zhiqiang 收藏  |  浏览/下载：2/0  |  提交时间：2025/06/25 Domain shift  Domain generalization  Domain-invariant parameters  Sparse
	Exploring Progress in Multivariate Time Series Forecasting: Comprehensive Benchmarking and Heterogeneity Analysis 期刊论文 IEEE TRANSACTIONS ON KNOWLEDGE AND DATA ENGINEERING, 2025, 卷号: 37, 期号: 1, 页码: 291-305 作者:  Shao, Zezhi;  Wang, Fei;  Xu, Yongjun;  Wei, Wei;  Yu, Chengqing;  Zhang, Zhao;  Yao, Di;  Sun, Tao;  Jin, Guangyin;  Cao, Xin;  Cong, Gao;  Jensen, Christian S.;  Cheng, Xueqi 收藏  |  浏览/下载：4/0  |  提交时间：2025/06/25 Forecasting  Time series analysis  Benchmark testing  Transformers  Predictive models  Data models  Computer science  Reliability  Proposals  Electricity  Benchmarking  multivariate time series  spatial-temporal forecasting  long-term time series forecasting
	A multimodal dental dataset facilitating machine learning research and clinic services 期刊论文 SCIENTIFIC DATA, 2024, 卷号: 11, 期号: 1, 页码: 11 作者:  Huang, Yunyou;  Liu, Wenjing;  Yao, Caiqin;  Miao, Xiuxia;  Guan, Xianglong;  Lu, Xiangjiang;  Liang, Xiaoshuang;  Ma, Li;  Tang, Suqin;  Zhang, Zhifei;  Zhan, Jianfeng 收藏  |  浏览/下载：4/0  |  提交时间：2025/06/25
	Deep learning model for the automated detection and classification of central canal and neural foraminal stenosis upon cervical spine magnetic resonance imaging 期刊论文 BMC MEDICAL IMAGING, 2024, 卷号: 24, 期号: 1, 页码: 9 作者:  Zhang, Enlong;  Yao, Meiyi;  Li, Yuan;  Wang, Qizheng;  Song, Xinhang;  Chen, Yongye;  Liu, Ke;  Zhao, Weili;  Xing, Xiaoying;  Zhou, Yan;  Meng, Fanyu;  Ouyang, Hanqiang;  Chen, Gongwei;  Jiang, Liang;  Lang, Ning;  Jiang, Shuqiang;  Yuan, Huishu 收藏  |  浏览/下载：7/0  |  提交时间：2025/06/25 Deep learning  MRI  Cervical spinal stenosis  Convolutional neural network
	GeneCompass: deciphering universal gene regulatory mechanisms with a knowledge-informed cross-species foundation model 期刊论文 CELL RESEARCH, 2024, 页码: 16 作者:  Yang, Xiaodong;  Liu, Guole;  Feng, Guihai;  Bu, Dechao;  Wang, Pengfei;  Jiang, Jie;  Chen, Shubai;  Yang, Qinmeng;  Miao, Hefan;  Zhang, Yiyang;  Man, Zhenpeng;  Liang, Zhongming;  Wang, Zichen;  Li, Yaning;  Li, Zheng;  Liu, Yana;  Tian, Yao;  Liu, Wenhao;  Li, Cong;  Li, Ao;  Dong, Jingxi;  Hu, Zhilong;  Fang, Chen;  Cui, Lina;  Deng, Zixu;  Jiang, Haiping;  Cui, Wentao;  Zhang, Jiahao;  Yang, Zhaohui;  Li, Handong;  He, Xingjian;  Zhong, Liqun;  Zhou, Jiaheng;  Wang, Zijian;  Long, Qingqing;  Xu, Ping;  Wang, Hongmei;  Meng, Zhen;  Wang, Xuezhi;  Wang, Yangang;  Wang, Yong;  Zhang, Shihua;  Guo, Jingtao;  Zhao, Yi;  Zhou, Yuanchun;  Li, Fei;  Liu, Jing;  Chen, Yiqiang;  Yang, Ge;  Li, Xin 收藏  |  浏览/下载：19/0  |  提交时间：2024/12/06
	IrGEMM: An Input-Aware Tuning Framework for Irregular GEMM on ARM and X86 CPUs 期刊论文 IEEE TRANSACTIONS ON PARALLEL AND DISTRIBUTED SYSTEMS, 2024, 卷号: 35, 期号: 9, 页码: 1672-1689 作者:  Wei, Cunyang;  Jia, Haipeng;  Zhang, Yunquan;  Yao, Jianyu;  Li, Chendi;  Cao, Wenxuan 收藏  |  浏览/下载：16/0  |  提交时间：2024/12/06 Kernel  Libraries  Computer architecture  Tuning  Layout  Optimization  Codes  Batch GEMM  code generation  compact GEMM  dynamic programming  TSMM
	FastTuning: Enabling Fast and Efficient Hyper-Parameter Tuning With Partitioning and Parallelism of Search Space 期刊论文 IEEE TRANSACTIONS ON PARALLEL AND DISTRIBUTED SYSTEMS, 2024, 卷号: 35, 期号: 7, 页码: 1174-1188 作者:  Li, Xiaqing;  Guo, Qi;  Zhang, Guangyan;  Ye, Siwei;  He, Guanhua;  Yao, Yiheng;  Zhang, Rui;  Hao, Yifan;  Du, Zidong;  Zheng, Weimin 收藏  |  浏览/下载：50/0  |  提交时间：2024/12/06 Deep learning  distributed hyper-parameter tuning (HPT) system  parallel computing
	Benchmarking spatial clustering methods with spatially resolved transcriptomics data 期刊论文 NATURE METHODS, 2024, 页码: 25 作者:  Yuan, Zhiyuan;  Zhao, Fangyuan;  Lin, Senlin;  Zhao, Yu;  Yao, Jianhua;  Cui, Yan;  Zhang, Xiao-Yong;  Zhao, Yi 收藏  |  浏览/下载：34/0  |  提交时间：2024/05/20