Zobrazeno 1 - 10
of 378
pro vyhledávání: '"Li, Ziyao"'
Autor:
Li, Ziyao
This short paper is a fast proof-of-concept that the 3-order B-splines used in Kolmogorov-Arnold Networks (KANs) can be well approximated by Gaussian radial basis functions. Doing so leads to FastKAN, a much faster implementation of KAN which is also
Externí odkaz:
http://arxiv.org/abs/2405.06721
Autor:
Zeng, Jinzhe, Zhang, Duo, Lu, Denghui, Mo, Pinghui, Li, Zeyu, Chen, Yixiao, Rynik, Marián, Huang, Li'ang, Li, Ziyao, Shi, Shaochen, Wang, Yingze, Ye, Haotian, Tuo, Ping, Yang, Jiabin, Ding, Ye, Li, Yifan, Tisi, Davide, Zeng, Qiyu, Bao, Han, Xia, Yu, Huang, Jiameng, Muraoka, Koki, Wang, Yibo, Chang, Junhan, Yuan, Fengbo, Bore, Sigbjørn Løland, Cai, Chun, Lin, Yinnian, Wang, Bo, Xu, Jiayan, Zhu, Jia-Xin, Luo, Chenxing, Zhang, Yuzhi, Goodall, Rhys E. A., Liang, Wenshuo, Singh, Anurag Kumar, Yao, Sikai, Zhang, Jingchao, Wentzcovitch, Renata, Han, Jiequn, Liu, Jie, Jia, Weile, York, Darrin M., E, Weinan, Car, Roberto, Zhang, Linfeng, Wang, Han
Publikováno v:
J. Chem. Phys. 159, 054801 (2023)
DeePMD-kit is a powerful open-source software package that facilitates molecular dynamics simulations using machine learning potentials (MLP) known as Deep Potential (DP) models. This package, which was released in 2017, has been widely used in the f
Externí odkaz:
http://arxiv.org/abs/2304.09409
Autor:
Li, Deyun, Li, Ziyao, Wei, Xiujiao, Hu, Tian, Deng, Jianbin, Zhang, Mingkai, Xu, Hui-juan, Li, Wenyan, Wang, Jinjin, Li, Yongtao, Zhang, Yulong
Publikováno v:
In Chemical Engineering Journal 15 September 2024 496
Autor:
Peng, Bowen, Yang, Dongmei, Li, Ziyao, Yuan, Haoyu, Wu, Pengcheng, Huang, Kexin, Sun, Kenan, Zhu, Junfang, Wu, Keliang, Liu, Zhiyong
Publikováno v:
In Journal of Industrial and Engineering Chemistry 25 August 2024 136:341-348
Autor:
He, Liqin, Wang, Yurong, Ding, Changfeng, Huang, Gaoxiang, Tu, Xiangming, Zhou, Zhigao, Yin, Yuepeng, Tang, Xin, Guo, Zhihong, Li, Ziyao, Zhang, Taolin, Wang, Xingxiang, Zheng, Shun'an
Publikováno v:
In Science of the Total Environment 10 August 2024 937
In the intersection of molecular science and deep learning, tasks like virtual screening have driven the need for a high-throughput molecular representation generator on large chemical databases. However, as SMILES strings are the most common storage
Externí odkaz:
http://arxiv.org/abs/2112.13305
Molecular representation learning is the first yet vital step in combining deep learning and molecular science. To push the boundaries of molecular representation learning, we present PhysChem, a novel neural architecture that learns molecular repres
Externí odkaz:
http://arxiv.org/abs/2112.04624
Straight-forward conformation generation models, which generate 3-D structures directly from input molecular graphs, play an important role in various molecular tasks with machine learning, such as 3D-QSAR and virtual screening in drug design. Howeve
Externí odkaz:
http://arxiv.org/abs/2201.08714
Autor:
Li, Ziyao, Kang, Sangmok
Publikováno v:
In Environmental Research 15 November 2024 261
Autor:
Zhang, Feilong, Li, Zhihua, Liu, Xinmeng, Li, Ziyao, Lei, Zichen, Zhao, Jiankang, Zhang, Yulin, Wu, Yongli, Yang, Xinrui, Lu, Binghuai
Publikováno v:
In International Journal of Antimicrobial Agents November 2024 64(5)