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Conservative Discontinuous Galerkin/Hermite Spectral Method for the Vlasov-Poisson System

Communications on Applied Mathematics and Computation 2022年第1期4卷 34-59页

作者： Francis Filbet Tao Xiong Institut de Mathématiques de Toulouse UniversitéPaul SabatierToulouse 31062France School of Mathematical Sciences and Fujian Provincial Key Laboratory of Mathematical Modeling and High-Performance Scientific Computing Xiamen UniversityXiamen 361005Fujian ProvinceChina

We propose a class of conservative discontinuous Galerkin methods for the Vlasov-Pois-son system written as a hyperbolic system using Hermite polynomials in the velocity *** schemes are designed to be systematically as accurate as one wants with prov-able conservation of mass and possibly total *** properties in general are hard to achieve within other numerical method frameworks for simulating the Vlasov-Poisson *** proposed scheme employs the discontinuous Galerkin discretization for both the Vlasov and the Poisson equations,resulting in a consistent description of the distribu-tion function and the electric *** simulations are performed to verify the order of the accuracy and conservation properties.

关键词： Energy conserving Discontinuous Galerkin method Hermite spectral method Vlasov-Poisson

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BioNet+: A Comprehensive Interaction Model of Finding Therapeutics for Diseases with Graph Deep Learning 25

BioNet+: A Comprehensive Interaction Model of Finding Therap...

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25th IEEE International Conferences on high performance computing and Communications, 9th International Conference on Data Science and Systems, 21st IEEE International Conference on Smart City and 9th IEEE International Conference on Dependability in Sensor, Cloud and Big Data Systems and Applications, HPCC/DSS/SmartCity/DependSys 2023

作者： Ma, Jinglun Qiu, Yanlong Yang, Canqun Wu, Chengkun Institute for Quantum Information State Key Laboratory of High Performance Computing National University of Defense Technology Changsha410073 China College of Computer Science and Techology National University of Defense Technology Changsha410073 China

ISBN: (纸本)9798350330014

The prediction of interactions between biomedical entities is crucial for the discovery of therapeutics for diseases. The fundamental step is to build an interaction model with a comprehensive coverage on literature and curated databases. The massive amount of heterogeneous data in interaction networks of biomedical entities poses significant challenges to relevant prediction tasks. Previous research has mainly focused on constructing networks with limited types of entity relations. In this paper, we construct a large-scale heterogeneous graph model, BioNet+, using a data-driven approach to extract latent information and predict various relations among biomedical entities. BioNet+ provides a crucial update to our previous BioNet model, with the addition of disease entities. The model employs a graph convolution encoder to learn embedding information from the intricate interactions among chemicals (C), genes (G), diseases (D), and biological pathways (P). Furthermore, a decoder that applies two tensor decomposition methods is deployed to predict multiple types of relations, including CG, CD, and GD interactions. The model constructs a graph network consisting of 81,987 entity nodes and 206,195,703 interaction edges. To handle this massive model, BioNet+ reduces the computational complexity via data categorization and proposes a parallel model training algorithm for cross-node GPUs. Evaluation experiments demonstrate that BioNet+ achieves superior predictive performance, as demonstrated by its highest area under the receiver operating characteristic curve (AUROC) of 0.964. © 2023 IEEE.

关键词： Forecasting

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A review on electrocatalytic CO_(2) conversion via C-C and C-N coupling

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Carbon Energy 2024年第2期6卷 167-194页

作者： Zhuangzhi Zhang Sijun Li Zheng Zhang Zhou Chen Hua Wang Xianguang Meng Wenquan Cui Xiwei Qi Jiacheng Wang Hebei Provincial Laboratory of Inorganic Nonmetallic Materials College of Materials Science and EngineeringNorth China University of Science and TechnologyTangshanChina Key Laboratory of Luminescence Analysis and Molecular Sensing Ministry of EducationCollege of Chemistry and Chemical EngineeringSouthwest UniversityChongqingChina State Key Laboratory of New Textile Materials and Advanced Processing Technologies Hubei Key Laboratory of Biomass Fibers and Eco-Dyeing and FinishingCollege of Chemistry and Chemical EngineeringWuhan Textile UniversityWuhanChina College of Materials Xiamen UniversityXiamenChina Hebei Iron and Steel Laboratory TangshanChina Hebei Key Laboratory for Environment Photocatalytic and Electrocatalytic Materials College of Chemical EngineeringNorth China University of Science and TechnologyTangshanChina College of Metallurgy and Energy North China University of Science and TechnologyTangshanChina State Key Laboratory of High Performance Ceramics and Superfine Microstructure Shanghai Institute of CeramicsChinese Academy of SciencesShanghaiChina Institute of Electrochemistry School of Materials Science and EngineeringTaizhou UniversityTaizhouChina

Electrochemical C-C and C-N coupling reactions with the conversion of abundant and inexpensive small molecules,such as CO_(2) and nitrogencontaining species,are considered a promising route for increasing the value of CO_(2) reduction *** development of high-performance catalysts is the key to the both electrocatalytic *** this review,we present a systematic summary of the reaction systems for electrocatalytic CO_(2) reduction,along with the coupling mechanisms of C-C and C-N bonds over outstanding electrocatalytic materials recently *** key intermediate species and reaction pathways related to the coupling as well as the catalyst-structure relationship will be also discussed,aiming to provide insights and guidance for designing efficient CO_(2) reduction systems.

关键词： C-C coupling C-N coupling CO_(2) conversion electrocatalysis urea synthesis

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Decision Mamba: Reinforcement Learning via Hybrid Selective Sequence Modeling 38

Decision Mamba: Reinforcement Learning via Hybrid Selective ...

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38th Conference on Neural Information Processing Systems, NeurIPS 2024

作者： Huang, Sili Hu, Jifeng Yang, Zhejian Yang, Liwei Luo, Tao Chen, Hechang Sun, Lichao Yang, Bo Key Laboratory of Symbolic Computation and Knowledge Engineering Ministry of Education China School of Artificial Intelligence Jilin University China Institute of High Performance Computing Agency for Science Technology and Research Singapore Lehigh University BethlehemPA United States

Recent works have shown the remarkable superiority of transformer models in reinforcement learning (RL), where the decision-making problem is formulated as sequential generation. Transformer-based agents could emerge with self-improvement in online environments by providing task contexts, such as multiple trajectories, called in-context RL. However, due to the quadratic computation complexity of attention in transformers, current in-context RL methods suffer from huge computational costs as the task horizon increases. In contrast, the Mamba model is renowned for its efficient ability to process long-term dependencies, which provides an opportunity for in-context RL to solve tasks that require long-term memory. To this end, we first implement Decision Mamba (DM) by replacing the backbone of Decision Transformer (DT). Then, we propose a Decision Mamba-Hybrid (DM-H) with the merits of transformers and Mamba in high-quality prediction and long-term memory. Specifically, DM-H first generates high-value sub-goals from long-term memory through the Mamba model. Then, we use sub-goals to prompt the transformer, establishing high-quality predictions. Experimental results demonstrate that DM-H achieves state-of-the-art in long and short-term tasks, such as D4RL, Grid World, and Tmaze benchmarks. Regarding efficiency, the online testing of DM-H in the long-term task is 28× times faster than the transformer-based baselines. © 2024 Neural information processing systems foundation. All rights reserved.

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Research on key technologies of edge cache in virtual data space across WAN

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Frontiers of Computer Science 2023年第1期17卷 15-34页

作者： Jiantong HUO Yaowen XU Zhisheng HUO Limin XIAO Zhenxue HE State Key Laboratory of Software Development Environment Beihang UniversityBeijing 100191China School of Computer Science and Engineering Beihang UniversityBeijing 100191China High Performance Computing Center Beihang UniversityBeijing 100191China College of Software Beihang UniversityBeijing 100191China Hebei Key Laboratory of Agricultural Big Data Hebei Agricultural UniversityBaoding 071001China College of Computer Science and Technology Zhejiang UniversityHangZhou 310013China

The authors of this paper have previously proposed the global virtual data space system (GVDS) to aggregate the scattered and autonomous storage resources in China’s national supercomputer grid (National Supercomputing Center in Guangzhou, National Supercomputing Center in Jinan, National Supercomputing Center in Changsha, Shanghai Supercomputing Center, and Computer Network Information Center in Chinese Academy of Sciences) into a storage system that spans the wide area network (WAN), which realizes the unified management of global storage resources in China. At present, the GVDS has been successfully deployed in the China National Grid environment. However, when accessing and sharing remote data in the WAN, the GVDS will cause redundant transmission of data and waste a lot of network bandwidth resources. In this paper, we propose an edge cache system as a supplementary system of the GVDS to improve the performance of upper-level applications accessing and sharing remote data. Specifically, we first designs the architecture of the edge cache system, and then study the key technologies of this architecture: the edge cache index mechanism based on double-layer hashing, the edge cache replacement strategy based on the GDSF algorithm, the request routing based on consistent hashing method, and the cluster member maintenance method based on the SWIM protocol. The experimental results show that the edge cache system has successfully implemented the relevant operation functions (read, write, deletion, modification, etc.) and is compatible with the POSIX interface in terms of function. Further, it can greatly reduce the amount of data transmission and increase the data access bandwidth when the accessed file is located at the edge cache system in terms of performance, i.e., its performance is close to the performance of the network file system in the local area network (LAN).

关键词： virtual data space system wide area network edge cache redundant data transmission

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THE TIME DECAY RATES OF THE CLASSICAL SOLUTION TO THE POISSON-NERNST-PLANCK-FOURIER EQUATIONS IN R^(3)

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Acta Mathematica Scientia 2022年第3期42卷 1081-1102页

作者： Leilei TONG Zhong TAN Xu ZHANG School of Science Chongqing University of Posts and TelecommunicationsChongqing 400065China School of Mathematical Sciences and Fujian Provincial Key Laboratory on Mathematical Modeling&High Performance Scientific Computing Xiamen UniversityXiamen 361005China School of Mathematics and Statistics Zhengzhou UniversityZhengzhou 450001China

In this work,the Poisson-Nernst-Planck-Fourier system in three dimensions is *** when the initial data regards a small perturbation around the constant equilibrium state in a H^(3)∩■^(-s)(0≤s≤1/2)norm,we obtain th... 详细信息

关键词： Poisson-Nernst-Planck-Fourier system decay rates energy method

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NHC-mediated photocatalytic para-selective C–H acylation of aryl alcohols: regioselectivity control via remote radical spiro cyclization

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Science China Chemistry 2025年

作者： Tinglei Zhang Lala Wang Xiaolin Peng Tianhui Liao Dongmei Chen Ting Tu Donghan Liu Ziye Cheng Shiqing Huang Shi-Chao Ren Xinglong Zhang Yonggui Robin Chi State Key Laboratory of Green Pesticide Key Laboratory of Green Pesticide and Agricultural Bioengineering Ministry of Education Guizhou University Qiannan Medical College for Nationalities School of Chemistry Chemical Engineering and Biotechnology Nanyang Technological University Department of Chemistry The Chinese University of Hong Kong Institute of High Performance Computing Agency for Science Technology and Research

Friedel-Crafts reaction and transition-metal catalysis represent primary methodologies for arene acylation; however, suffer from certain limitations, such as electronic effect-dependent reactivity, regioselectivity issues, the necessity of directing group, and relatively exceptionally limited exploration in meta-and para-acylations. N-heterocyclic carbene(NHC) catalysis has recently emerged as a promising alternative strategy for arene acylation, offering distinct regioselectivity profiles that are challenging to achieve through known methods. Herein, an NHC-mediated photo-catalytic para-selective C–H acylation of aryl alcohols is disclosed. The reaction employs a remote radical-induced temporary spiro cyclization strategy, proceeding via tandem radical dearomatization, radical acylation, rearomatization processes. Combined experimental and computational mechanistic studies support the proposed reaction pathway and observe an exclusive para-selectivity regardless of the nature of the substituents on the substrates. Despite the less satisfactory yields, the current method exhibits non-electronic nature-based reactivity and regioselectivity, enabling quick access to acylated arenes that are difficult or impossible for reported methods.

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Cutting Behavior of Cortical Bone in Different Bone Osteon Cutting Angles and Depths of Cut

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Chinese Journal of Mechanical Engineering 2022年第3期35卷 80-91页

作者： Yuanqiang Luo Yinghui Ren Yang Shu Cong Mao Zhixiong Zhou Z.M.Bi College of Mechanical and Vehicle Engineering Hunan UniversityChangsha 410082China Hunan Provincial Key Laboratory of Intelligent Manufacturing Technology for High-performance Mechanical Equipment Changsha University of Science and TechnologyChangsha 410114China Department of Civil and Mechanical Engineering Purdue University Fort WayneFort WayneIN 46805USA

Cortical bone is semi-brittle and anisotropic,that brings a challenge to suppress vibration and avoid undesired fracture in precise cutting process in *** this paper,a novel analytical model is proposed to represent cortical bone cutting *** model is utilized to predict the chip formations,material removal behavior and cracks propagation under varying bone osteon cutting angles and *** of orthogonal cutting experiments were conducted on cortical bone to investigate the impact of bone osteon cutting angle and depth of cut on cutting force,crack initialization and *** observed chip morphology highly agreed with the prediction of chip formation based on the analytical *** curly,serrated,grainy and powdery chips formed when the cutting angle was set as 0°,60°,90°,and 120°,*** bone were removed dominantly by shearing at a small depth of cut from 10 to 50μm,and by a mixture of pealing,shearing,fracture and crushing at a large depth of cut over 100μm at different bone osteon ***,its fracture toughness was calculated based on measured cutting *** is found that the fluctuation of cutting force is suppressed and the bone material becomes easy to remove,which attributes to lower fracture toughness at bone osteon cutting angle 0°.When the cutting direction develops a certain angle to bone osteon,the fracture toughness increases then the crack propagation is inhibited to some extent and the fluctuation of cutting force comparatively *** is a theoretical and practical significance for tools design and operational parameters choice in surgeries.

关键词： Bone cutting surgery Orthogonal cutting models Anisotropic materials Chip formation Crack initialization and propagation Fracture toughness

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Intrinsic persistent room temperature phosphorescence derived from 1H-benzo[f]indole itself as a guest

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Chinese Chemical Letters 2023年第7期34卷 449-453页

作者： Danman Guo Yuyuan Wang Jinzheng Chen Yifeng Cao Yiling Miao Huahua Huang Zhenguo Chi Zhiyong Yang Key Laboratory for Polymeric Composite and Functional Materials of Ministry of Education Guangdong Engineering Technology Research Center for High-performance Organic and Polymer Photoelectric Functional FilmsSchool of ChemistrySun Yat-sen UniversityGuangzhou 510275China School of Materials Science and Engineering Sun Yat-sen UniversityGuangzhou 510275China Guangdong Provincial Key Laboratory of Optical Chemicals XinHuaYue GroupMaoming 525000China

The influence of 1H-benzo[f]indole(Bd) and its derivatives on room temperature phosphorescence(RTP)has raised great concern since they were found to significantly affect RTP of the extensively studied carbazole(Cz) derivatives. However, the role of Bd itself existing in Cz-based or other doping systems was still unclear. In order to clarify its intrinsic phosphorescent property, Bd was introduced as a guest into different organic matrixes including substituted Cz derivatives and polymers. The phosphorescence located in 560–620 nm was confirmed to be derived from Bd itself, which can be detected whatever Bd was doped in the crystal or amorphous state of Cz derivatives. The suitable energy gap between Cz derivatives and Bd is the key to achieve ultralong RTP of Bd. Additionally, when doped in polymers with plenty of hydrogen bonds, RTP of Bd with lifetime over 280 ms was easily obtained. Among them, Bd@PHEMA(poly(hydroxyethyl methacrylate) exhibited superior phosphorescence, with yellow afterglow lasting for over 2.5 s. Therefore, this work demonstrated that a new organic RTP phosphor, Bd, is discovered, and ultralong RTP of Bd can be achieved not only doped in Cz derivatives but also in polymers as the hosts.

关键词： Room temperature phosphorescence Host-guest 1H-benzo[f]indole Amorphous Hydrogen bonding

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Bright 547-dimensional Hilbert-space entangled resource in 28-pair modes biphoton frequency comb from a reconfigurable silicon microring resonator

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Chinese Physics B 2022年第2期31卷 129-134页

作者： Qilin Zheng Jiacheng Liu Chao Wu Shichuan Xue Pingyu Zhu Yang Wang Xinyao Yu Miaomiao Yu Mingtang Deng Junjie Wu Ping Xu Institute for Quantum Information and State Key Laboratory of High Performance Computing College of Computer.National University of Defense TechnologyChangsha 410073China College of Advanced Interdisciplinary Studies National University of Defense TechnologyChangsha 410013China National Laboratory of Solid State Microstructures and School of Physics Nanjing University.Nanjing 210093China

high-dimensional entanglement provides valuable resources for quantum technologies,including quantum communication,quantum optical coherence tomography,and quantum *** a high brightness and dimensional entanglement source has significant *** we utilize a tunable asymmetric Mach–Zehnder interferometer coupled silicon microring resonator with 100 GHz free spectral range to achieve this *** the strategy of the tunable coupler,the dynamical and extensive tuning range of quality factors of the microring can be obtained,and then the biphoton pair generation rate can be *** selecting and characterizing 28 pairs from a more than 30-pair modes biphoton frequency comb,we obtain a Schmidt number of at least 23.4 and on-chip pair generation rate of 19.9 MHz/m W;under a low on-chip pump power,which corresponds to 547 dimensions Hilbert space in frequency *** results will prompt the wide applications of quantum frequency comb and boost the further large density and scalable on-chip quantum information processing.

关键词： silicon microring resonator quantum entanglement biphoton frequency comb

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