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Provider: Schloss Dagstuhl - Leibniz Center for Informatics Database: dblp computer science bibliography Content:text/plain; charset="utf-8" TY - JOUR ID - DBLP:journals/jcisd/XiangTLR23 AU - Xiang, Yan AU - Tang, Yu-Hang AU - Lin, Guang AU - Reker, Daniel TI - Interpretable Molecular Property Predictions Using Marginalized Graph Kernels. JO - J. Chem. Inf. Model. VL - 63 IS - 15 SP - 4633 EP - 4640 PY - 2023/08/ DO - 10.1021/ACS.JCIM.3C00396 UR - https://doi.org/10.1021/acs.jcim.3c00396 ER - TY - JOUR ID - DBLP:journals/jcisd/XiangTGLWLS23 AU - Xiang, Yan AU - Tang, Yu-Hang AU - Gong, Zheng AU - Liu, Hongyi AU - Wu, Liang AU - Lin, Guang AU - Sun, Huai TI - Efficient Exploration of Chemical Compound Space Using Active Learning for Prediction of Thermodynamic Properties of Alkane Molecules. JO - J. Chem. Inf. Model. VL - 63 IS - 21 SP - 6515 EP - 6524 PY - 2023/11/ DO - 10.1021/ACS.JCIM.3C01430 UR - https://doi.org/10.1021/acs.jcim.3c01430 ER - TY - JOUR ID - DBLP:journals/jcphy/ZhuTK23 AU - Zhu, Yuanran AU - Tang, Yu-Hang AU - Kim, Changho TI - Learning stochastic dynamics with statistics-informed neural network. JO - J. Comput. Phys. VL - 474 SP - 111819 PY - 2023/02/ DO - 10.1016/J.JCP.2022.111819 UR - https://doi.org/10.1016/j.jcp.2022.111819 ER - TY - Informal or Other Publication ID - DBLP:journals/corr/abs-2202-12278 AU - Zhu, Yuanran AU - Tang, Yu-Hang AU - Kim, Changho TI - Learning Stochastic Dynamics with Statistics-Informed Neural Network. JO - CoRR VL - abs/2202.12278 PY - 2022// UR - https://arxiv.org/abs/2202.12278 ER - TY - Informal or Other Publication ID - DBLP:journals/corr/abs-2209-00514 AU - Xiang, Yan AU - Tang, Yu-Hang AU - Gong, Zheng AU - Liu, Hongyi AU - Wu, Liang AU - Lin, Guang AU - Sun, Huai TI - Efficient Chemical Space Exploration Using Active Learning Based on Marginalized Graph Kernel: an Application for Predicting the Thermodynamic Properties of Alkanes with Molecular Simulation. JO - CoRR VL - abs/2209.00514 PY - 2022// DO - 10.48550/ARXIV.2209.00514 UR - https://doi.org/10.48550/arXiv.2209.00514 ER - TY - JOUR ID - DBLP:journals/jcisd/XiangTLS21 AU - Xiang, Yan AU - Tang, Yu-Hang AU - Lin, Guang AU - Sun, Huai TI - A Comparative Study of Marginalized Graph Kernel and Message-Passing Neural Network. JO - J. Chem. Inf. Model. VL - 61 IS - 11 SP - 5414 EP - 5424 PY - 2021// DO - 10.1021/ACS.JCIM.1C01118 UR - https://doi.org/10.1021/acs.jcim.1c01118 ER - TY - Informal or Other Publication ID - DBLP:journals/corr/abs-2103-11352 AU - Tang, Yu-Hang AU - Zhu, Yuanran AU - Jong, Wibe A. de TI - Detecting Label Noise via Leave-One-Out Cross-Validation. JO - CoRR VL - abs/2103.11352 PY - 2021// UR - https://arxiv.org/abs/2103.11352 ER - TY - Informal or Other Publication ID - DBLP:journals/corr/abs-2106-02018 AU - Rebrova, Elizaveta AU - Tang, Yu-Hang TI - Nonlinear Matrix Approximation with Radial Basis Function Components. JO - CoRR VL - abs/2106.02018 PY - 2021// UR - https://arxiv.org/abs/2106.02018 ER - TY - Informal or Other Publication ID - DBLP:journals/corr/abs-2106-08146 AU - Gao, Peiyuan AU - Yang, Xiu AU - Tang, Yu-Hang AU - Zheng, Muqing AU - Anderson, Amity AU - Murugesan, Vijayakumar AU - Hollas, Aaron AU - Wang, Wei TI - Graphical Gaussian Process Regression Model for Aqueous Solvation Free Energy Prediction of Organic Molecules in Redox Flow Battery. JO - CoRR VL - abs/2106.08146 PY - 2021// UR - https://arxiv.org/abs/2106.08146 ER - TY - JOUR ID - DBLP:journals/cphysics/XiaBLLTKGHDA20 AU - Xia, Yidong AU - Blumers, Ansel L. AU - Li, Zhen AU - Luo, Lixiang AU - Tang, Yu-Hang AU - Kane, Joshua AU - Goral, Jan AU - Huang, Hai AU - Deo, Milind AU - Andrew, Matthew TI - A GPU-accelerated package for simulation of flow in nanoporous source rocks with many-body dissipative particle dynamics. JO - Comput. Phys. Commun. VL - 247 PY - 2020// DO - 10.1016/J.CPC.2019.106874 UR - https://doi.org/10.1016/j.cpc.2019.106874 ER - TY - CPAPER ID - DBLP:conf/ipps/TangSPB20 AU - Tang, Yu-Hang AU - Selvitopi, Oguz AU - Popovici, Doru-Thom AU - Buluç, Aydin TI - A High-Throughput Solver for Marginalized Graph Kernels on GPU. BT - 2020 IEEE International Parallel and Distributed Processing Symposium (IPDPS), New Orleans, LA, USA, May 18-22, 2020 SP - 728 EP - 738 PY - 2020// DO - 10.1109/IPDPS47924.2020.00080 UR - https://doi.org/10.1109/IPDPS47924.2020.00080 ER - TY - Informal or Other Publication ID - DBLP:journals/corr/abs-1910-06310 AU - Tang, Yu-Hang AU - Selvitopi, Oguz AU - Popovici, Doru AU - Buluç, Aydin TI - A High-Throughput Solver for Marginalized Graph Kernels on GPU. JO - CoRR VL - abs/1910.06310 PY - 2019// UR - http://arxiv.org/abs/1910.06310 ER - TY - JOUR ID - DBLP:journals/jcphy/LiBTK18 AU - Li, Zhen AU - Bian, Xin AU - Tang, Yu-Hang AU - Karniadakis, George E. TI - A dissipative particle dynamics method for arbitrarily complex geometries. JO - J. Comput. Phys. VL - 355 SP - 534 EP - 547 PY - 2018// DO - 10.1016/J.JCP.2017.11.014 UR - https://doi.org/10.1016/j.jcp.2017.11.014 UR - https://www.wikidata.org/entity/Q60142519 ER - TY - Informal or Other Publication ID - DBLP:journals/corr/abs-1810-07310 AU - Tang, Yu-Hang AU - Jong, Wibe A. de TI - Prediction of Atomization Energy Using Graph Kernel and Active Learning. JO - CoRR VL - abs/1810.07310 PY - 2018// UR - http://arxiv.org/abs/1810.07310 ER - TY - JOUR ID - DBLP:journals/cphysics/BlumersTLLK17 AU - Blumers, Ansel L. AU - Tang, Yu-Hang AU - Li, Zhen AU - Li, Xuejin AU - Karniadakis, George E. TI - GPU-accelerated red blood cells simulations with transport dissipative particle dynamics. JO - Comput. Phys. Commun. VL - 217 SP - 171 EP - 179 PY - 2017// DO - 10.1016/J.CPC.2017.03.016 UR - https://doi.org/10.1016/j.cpc.2017.03.016 UR - https://www.wikidata.org/entity/Q47619372 ER - TY - Informal or Other Publication ID - DBLP:journals/corr/TangLLEGSK17 AU - Tang, Yu-Hang AU - Lu, Lu AU - Li, He AU - Evangelinos, Constantinos AU - Grinberg, Leopold AU - Sachdeva, Vipin AU - Karniadakis, George E. TI - OpenRBC: A Fast Simulator of Red Blood Cells at Protein Resolution. JO - CoRR VL - abs/1701.02059 PY - 2017// UR - http://arxiv.org/abs/1701.02059 ER - TY - Informal or Other Publication ID - DBLP:journals/corr/abs-1709-09235 AU - Tang, Yu-Hang AU - Zhang, Dongkun AU - Karniadakis, George E. TI - An Atomistic Fingerprint Algorithm for Learning Ab Initio Molecular Force Fields. JO - CoRR VL - abs/1709.09235 PY - 2017// UR - http://arxiv.org/abs/1709.09235 ER - TY - JOUR ID - DBLP:journals/bmcgenomics/HeLTMZ16 AU - He, Feifei AU - Li, Yang AU - Tang, Yu-Hang AU - Ma, Jian AU - Zhu, Huaiqiu TI - Identifying micro-inversions using high-throughput sequencing reads. JO - BMC Genom. VL - 17 IS - S-1 SP - 4 PY - 2016// DO - 10.1186/S12864-015-2305-7 UR - https://doi.org/10.1186/s12864-015-2305-7 UR - https://www.wikidata.org/entity/Q35906182 ER - TY - JOUR ID - DBLP:journals/jcphy/TangKBLK15 AU - Tang, Yu-Hang AU - Kudo, Shuhei AU - Bian, Xin AU - Li, Zhen AU - Karniadakis, George E. TI - Multiscale Universal Interface: A concurrent framework for coupling heterogeneous solvers. JO - J. Comput. Phys. VL - 297 SP - 13 EP - 31 PY - 2015// DO - 10.1016/J.JCP.2015.05.004 UR - https://doi.org/10.1016/j.jcp.2015.05.004 UR - https://www.wikidata.org/entity/Q60107936 ER - TY - CPAPER ID - DBLP:conf/sc/RossinelliTLABH15 AU - Rossinelli, Diego AU - Tang, Yu-Hang AU - Lykov, Kirill AU - Alexeev, Dmitry AU - Bernaschi, Massimo AU - Hadjidoukas, Panagiotis E. AU - Bisson, Mauro AU - Joubert, Wayne AU - Conti, Christian AU - Karniadakis, George E. AU - Fatica, Massimiliano AU - Pivkin, Igor AU - Koumoutsakos, Petros TI - The in-silico lab-on-a-chip: petascale and high-throughput simulations of microfluidics at cell resolution. BT - Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis, SC 2015, Austin, TX, USA, November 15-20, 2015 SP - 2:1 EP - 2:12 PY - 2015// DO - 10.1145/2807591.2807677 UR - https://doi.org/10.1145/2807591.2807677 UR - https://www.wikidata.org/entity/Q60141970 ER - TY - Informal or Other Publication ID - DBLP:journals/corr/LiTLK15 AU - Li, Zhen AU - Tang, Yu-Hang AU - Li, Xuejin AU - Karniadakis, George E. TI - Mesoscale modeling of phase transition dynamics of thermoresponsive polymers. JO - CoRR VL - abs/1504.07094 PY - 2015// UR - http://arxiv.org/abs/1504.07094 ER - TY - JOUR ID - DBLP:journals/cphysics/TangK14 AU - Tang, Yu-Hang AU - Karniadakis, George E. TI - Accelerating dissipative particle dynamics simulations on GPUs: Algorithms, numerics and applications. JO - Comput. Phys. Commun. VL - 185 IS - 11 SP - 2809 EP - 2822 PY - 2014// DO - 10.1016/J.CPC.2014.06.015 UR - https://doi.org/10.1016/j.cpc.2014.06.015 UR - https://www.wikidata.org/entity/Q60107943 ER - TY - JOUR ID - DBLP:journals/jcphy/LiTLCK14 AU - Li, Zhen AU - Tang, Yu-Hang AU - Lei, Huan AU - Caswell, Bruce AU - Karniadakis, George E. TI - Energy-conserving dissipative particle dynamics with temperature-dependent properties. JO - J. Comput. Phys. VL - 265 SP - 113 EP - 127 PY - 2014// DO - 10.1016/J.JCP.2014.02.003 UR - https://doi.org/10.1016/j.jcp.2014.02.003 UR - https://www.wikidata.org/entity/Q60142529 ER - TY - Informal or Other Publication ID - DBLP:journals/corr/TangKBLK14 AU - Tang, Yu-Hang AU - Kudo, Shuhei AU - Bian, Xin AU - Li, Zhen AU - Karniadakis, George E. TI - Multiscale Universal Interface: A Concurrent Framework for Coupling Heterogeneous Solvers. JO - CoRR VL - abs/1411.1293 PY - 2014// UR - http://arxiv.org/abs/1411.1293 ER - TY - Informal or Other Publication ID - DBLP:journals/corr/TangK13 AU - Tang, Yu-Hang AU - Karniadakis, George E. TI - Accelerating Dissipative Particle Dynamics Simulations on GPUs: Algorithms, Numerics and Applications. JO - CoRR VL - abs/1311.0402 PY - 2013// UR - http://arxiv.org/abs/1311.0402 ER -