I provide some science and reflections from my experiences working in geophysics,along with connections to computational and data sciences,including recent developments in machine learning.I highlight several individu...I provide some science and reflections from my experiences working in geophysics,along with connections to computational and data sciences,including recent developments in machine learning.I highlight several individuals and groups who have influenced me,both through direct collaborations as well as from ideas and insights that I have learned from.While my reflections are rooted in geophysics,they should also be relevant to other computational scientific and engineering fields.I also provide some thoughts for young,applied scientists and engineers.展开更多
The rapid evolution of international trade necessitates the adoption of intelligent digital solutions to enhance trade facilitation.The Single Window System(SWS)has emerged as a key mechanism for streamlining trade do...The rapid evolution of international trade necessitates the adoption of intelligent digital solutions to enhance trade facilitation.The Single Window System(SWS)has emerged as a key mechanism for streamlining trade documentation,customs clearance,and regulatory compliance.However,traditional SWS implementations face challenges such as data fragmentation,inefficient processing,and limited real-time intelligence.This study proposes a computational social science framework that integrates artificial intelligence(AI),machine learning,network analytics,and blockchain to optimize SWS operations.By employing predictive modeling,agentbased simulations,and algorithmic governance,this research demonstrates how computational methodologies improve trade efficiency,enhance regulatory compliance,and reduce transaction costs.Empirical case studies on AI-driven customs clearance,blockchain-enabled trade transparency,and network-based trade policy simulation illustrate the practical applications of these techniques.The study concludes that interdisciplinary collaboration and algorithmic governance are essential for advancing digital trade facilitation,ensuring resilience,transparency,and adaptability in global trade ecosystems.展开更多
In order to understand the influence of ordering behaviors on the thermodynamic and mechanical properties of multi-principal element alloys(MPEAs),the temperature-dependent thermodynamic properties and mechanical prop...In order to understand the influence of ordering behaviors on the thermodynamic and mechanical properties of multi-principal element alloys(MPEAs),the temperature-dependent thermodynamic properties and mechanical properties of FCC_CoNiV MPEAs were comparatively predicted,where the alloys were modeled as the ordered configurations based on our previously predicted site occupying fractions(SOFs),as well as disordered configuration based on traditional special quasi-random structure(SQS).The ordering behavior not only improves the thermodynamic stability of the structure,but also increases the elastic properties and Vickers hardness.For example,at 973 K,the predicted bulk modulus(B),shear modulus(G),Young’s modulus(E),and Vickers hardness(HV)of FCC_CoNiV MPEA based on SOFs configuration are 187.82,79.03,207.93,and 7.58 GPa,respectively,while the corresponded data are 172.58,57.45,155.14,and 4.64 GPa for the SQS configuration,respectively.The Vickers hardness predicted based on SOFs agrees considerably well with the available experimental data,while it is underestimated obviously based on SQS.展开更多
1.INTRODUCTION.The integration of technology in medicine,particularly in the field of radiology,has led to significant advancements in patient care and diagnosis.While this digital transformation of healthcare has bro...1.INTRODUCTION.The integration of technology in medicine,particularly in the field of radiology,has led to significant advancements in patient care and diagnosis.While this digital transformation of healthcare has brought many benefits,it has also exposed radiological systems and sensitive patient data to unprecedented cybersecurity threats.This article aims to highlight the current cyberattack landscape,trends,and benefits of ethical hacking,which could be employed to identify vulnerabilities and improve cybersecurity defenses.展开更多
We propose a new two-type-player prisoner＇s dilemma game based on the division of work on a square lattice, in which a fraction of the population μ are assigned type A and the rest B. In a one-shot two-player game, ...We propose a new two-type-player prisoner＇s dilemma game based on the division of work on a square lattice, in which a fraction of the population μ are assigned type A and the rest B. In a one-shot two-player game, we let both of their original payoffs be scaled by a same multiplicative factor α 〉 1, if two neighboring players are of different types; however we leave the payoffs unchanged if they are of the same type. Then we show that combined with the two-type setup, the square lattice can assist to induce different social ranks according to players＇ abilities to collect payoffs. Simulation results show that the density of cooperation is significantly promoted for a wide range of the temptation to defection parameters and that there are optimal values for both α and μ leading to the maximal cooperation level. We reach these results by analyzing the distribution of the players in the social ranks and we also show some typical snapshots of the system.展开更多
We investigate a minute magneto hydro-dynamic mixer with relatively rapid mixing enhancement experimentally and analytically. The mixer is fabricated with brass and polymethyl methacrylate （PMMA） layers. A secondary...We investigate a minute magneto hydro-dynamic mixer with relatively rapid mixing enhancement experimentally and analytically. The mixer is fabricated with brass and polymethyl methacrylate （PMMA） layers. A secondary flow is generated by using the Lorentz force in the fluids. The efficiency of mixing is greatly improved due to the large increase of the contact area between two mixing fluids. The micro particle image velocimetry technique is employed to measure the fluid flow characteristics in the micro-channel. Numerical simulation is performed based on the theoretical model of the computational fluid dynamics and the electromagnetic field theory. The experimental results are in good agreement with the numerical results, which indicates that the mixing area is enlarged by the driving of Lorentz force and the mixing can be enhanced.展开更多
Computational Social Science(CSS),aiming at utilizing computational methods to address social science problems,is a recent emerging and fast-developing field.The study of CSS is data-driven and significantly benefits ...Computational Social Science(CSS),aiming at utilizing computational methods to address social science problems,is a recent emerging and fast-developing field.The study of CSS is data-driven and significantly benefits from the availability of online user-generated contents and social networks,which contain rich text and network data for investigation.However,these large-scale and multi-modal data also present researchers with a great challenge:how to represent data effectively to mine the meanings we want in CSS?To explore the answer,we give a thorough review of data representations in CSS for both text and network.Specifically,we summarize existing representations into two schemes,namely symbol-based and embeddingbased representations,and introduce a series of typical methods for each scheme.Afterwards,we present the applications of the above representations based on the investigation of more than 400 research articles from 6 top venues involved with CSS.From the statistics of these applications,we unearth the strength of each kind of representations and discover the tendency that embedding-based representations are emerging and obtaining increasing attention over the last decade.Finally,we discuss several key challenges and open issues for future directions.This survey aims to provide a deeper understanding and more advisable applications of data representations for CSS researchers.展开更多
Aspects of techniques for understanding and developing a system which is useful in the context of Disaster Management are outlined in the paper. The emphasis is on techniques for the development of requirements and so...Aspects of techniques for understanding and developing a system which is useful in the context of Disaster Management are outlined in the paper. The emphasis is on techniques for the development of requirements and software - specifically here for the basic, underlying computing system whose application packages (amongst others: Decision Support Sub-Systems) shall support Disaster Prediction, Relief (Damage Assessment & Mitigation) and Recovery. Throughout the body of the paper we shall be making frequent references to Decision Support Sub-Systems. As acronym for the subject domain the author has chosen: DiMaCS: Disaster Management Computing Systems.展开更多
A scheme for general purposed FDTD visual scientific computing software is introduced in this paper using object-oriented design (OOD) method. By abstracting the parameters of FDTD grids to an individual class and sep...A scheme for general purposed FDTD visual scientific computing software is introduced in this paper using object-oriented design (OOD) method. By abstracting the parameters of FDTD grids to an individual class and separating from the iteration procedure, the visual software can be adapted to more comprehensive computing problems. Real-time gray degree graphic and wave curve of the results can be achieved using DirectX technique. The special difference equation and data structure in dispersive medium are considered, and the peculiarity of parameters in perfectly matched layer are also discussed.展开更多
We study the effect of mutation on the evolutionary prisoner＇s dilemma in highly clustered scale-free networks. It is found that cooperation is more sensitive and vulnerable to strategy mutation in more highly cluste...We study the effect of mutation on the evolutionary prisoner＇s dilemma in highly clustered scale-free networks. It is found that cooperation is more sensitive and vulnerable to strategy mutation in more highly clustered networks. For small mutation rates, high clustering coefficient promotes cooperation. For medium mutation rates, high clustering coefficient inhibits the emergence of cooperation. For large mutation rates, cooperation is insensitive to clustering property. We provide explanations for the effects of clustering on cooperation with varied mutation rates.展开更多
We investigate the game theory in a structured population with the assumption that the evolution of network structure is far faster than that of strategy update. We find that the degree distribution for the finM netwo...We investigate the game theory in a structured population with the assumption that the evolution of network structure is far faster than that of strategy update. We find that the degree distribution for the finM network consists of two distinct parts： the low degree part which is contributed to by defectors and a broadband in the regime with high degree which is formed by cooperators. The structure of the final network and the final strategy pattern have also been numerically proved to be independent of the game parameters.展开更多
Tsinghua Science and Technology was started publication in 1996. It is an international academic journal sponsored by Tsinghua University and is published bimonthly. This journal aims at presenting the up-to-date scie...Tsinghua Science and Technology was started publication in 1996. It is an international academic journal sponsored by Tsinghua University and is published bimonthly. This journal aims at presenting the up-to-date scientific achievements in computer science, electronic engineering, and other IT fields. It is indexed by Ei and other abstracting indexes. From 2012the journal enters into IEEE Xplore Digital Library.展开更多
The MAS-related G protein-coupled receptor-X2(MRGPRX2),an orphan receptor expressed on mast cells(MCs),is upregulated upon inflammation and induces hypersensitivity and inflammatory diseases.In contrast to the large n...The MAS-related G protein-coupled receptor-X2(MRGPRX2),an orphan receptor expressed on mast cells(MCs),is upregulated upon inflammation and induces hypersensitivity and inflammatory diseases.In contrast to the large number of MRGPRX2 agonists,only a few antagonists have been described,and no optimization has been reported to improve potency,selectivity,and drug-like properties.Antagonists with ancillary inhibition of the putative mouse ortholog MRGPRB2 have not been described.Here,we present a multi-disciplinary approach involving chemistry,biology,and computational science,resulting in the development of a smallmolecule MRGPRX2 antagonist(PSB-172656,3-ethyl-7,8-difluoro-2-isopropylbenzo[4,5]imidazo[1,2-a]pyrimidin-4(1H)-one)based on a fragment screening hit.The compound exhibits metabolic stability,low cytotoxicity,and competitive blockade of MRGPRX2 activation induced by a diverse range of agonists.It displays subnanomolar potency in Ca2+mobilization assays(Ki value 0.142 nM)and was found to block MRGPRX2-mediated Gαq and Gαi1 dissociation,in addition toβ-arrestin-2 recruitment.PSB-172656 is selective for MRGPRX2 versus all other MRGPRX subtypes.Its effect on MCs was confirmed in cell lines,including rat basophilic leukemia cells(RBL-2H3)recombinantly expressing human MRGPRX2,human Laboratory of Allergic Diseases 2(LAD2)MCs,and native human skin MCs.PSB-172656 was found to additionally block the putative mouse ortholog of MRGPRX2,MRGPRB2,as determined in Ca2+mobilization assays(Ki 0.302 nM),and to prevent mouse tracheal contractions,local allergic reactions,and systemic anaphylactic symptoms.PSB-172656 constitutes a unique pharmacological tool and has the potential to be developed as a drug for mast cell-mediated hypersensitivity reactions and chronic inflammatory diseases,addressing a huge unmet medical need.展开更多
Spin Hall effect(SHE)provides a promising solution to the realization of advantageous functionalities for spin-based recording and information processing.In this work,we conduct high-throughput calculations on the spi...Spin Hall effect(SHE)provides a promising solution to the realization of advantageous functionalities for spin-based recording and information processing.In this work,we conduct high-throughput calculations on the spin Hall conductivity(SHC)of antiperovskite compounds with the composition ZXM3,where Z is a nonmetal,X is a metal,and M is a platinum group metal.From an initial database over 4500 structures,we screen 295 structurally stable compounds and identify 24 compounds with intrinsic SHC exceeding 500(ℏ/e)(Ω^(⁻1)cm^(⁻1)).We reveal a strong dependence of SHC on spin-orbit coupling-induced energy splitting near the Fermi level.In addition,SHCs can be regulated through proper doping of electrons or holes.The present work establishes high-throughput database of SHC in antiperovskites which is crucial for designing future electric and spintronic devices.展开更多
Purpose:This study investigates the impact of domestic mobility on Chinese scientists’academic performance and explores the predictors influencing their chances of moving to more prestigious institutions.Design/metho...Purpose:This study investigates the impact of domestic mobility on Chinese scientists’academic performance and explores the predictors influencing their chances of moving to more prestigious institutions.Design/methodology/approach:Using publication and affiliation data from OpenAlex,we identified 2,896 scientists who relocated between cities in China from 2014 to 2017.We applied propensity score matching(PSM)to compare their academic outcomes post-mobility with a matched group of non-mobile peers.Multiple performance metrics were examined,including publication count,citation impact,number of collaborators,and university prestige.Ordered logistic regression was used to analyze factors influencing moves to higher-level institutions.Findings:Mobility enhances collaboration by increasing the number of coauthors but is associated with a short-term decline in citation impact.Scientists were more likely to move to lower-prestige universities.However,prior collaboration breadth and citation count positively predicted transitions to more prestigious institutions,while the number of publications did not.Research limitations:This study focuses on intra-national mobility within China from 2014 to 2017 and relies on quantitative data,lacking personal or qualitative variables such as gender,discipline-specific norms,or institutional culture.Data coverage for Chinese-language publications may also be limited.Practical implications:This research provides insights into academic hiring patterns and the trade-offs involved in scientist mobility.It offers valuable guidance for institutions aiming to enhance faculty recruitment and retention,as well as for researchers considering career transitions.Originality/value:This is a quantitative analysis of domestic scientist mobility in China using matched comparison and multi-dimensional academic indicators.The integration of university prestige metrics(Double First-Class and citation-based rankings)offers a nuanced view of career dynamics within the Chinese higher education system.展开更多
The publication of Tsinghua Science and Technology was started in 1996. Since then, it has been an international academic journal sponsored by Tsinghua University and published bimonthly. This journal aims at presenti...The publication of Tsinghua Science and Technology was started in 1996. Since then, it has been an international academic journal sponsored by Tsinghua University and published bimonthly. This journal aims at presenting the state-of-art scientific achievements in computer science and other IT fields. One paper on Cloud Computing published in Vol. 18, Issue. 1, 2013, has been ranked the top of IEEE download list continuously for five months：展开更多
The publication of Tsinghua Science and Technology was started in 1996. Since then, it has been an international academic journal sponsored by Tsinghua University and published bimonthly. This journal aims at presenti...The publication of Tsinghua Science and Technology was started in 1996. Since then, it has been an international academic journal sponsored by Tsinghua University and published bimonthly. This journal aims at presenting the state-of-art scientific achievements in computer science and other IT fields. One paper on Cloud Computing published in Vol. 18, Issue 1, 2013, has been ranked No. 1 of IEEE download list continuously for five months： http：//ieeexplore.ieee.org/xpl/browsePopular.jsp？topArticlesDate=August＋2013.展开更多
The publication of Tsinghua Science and Technology was started in 1996. Since then, it has been an international academic journal sponsored by Tsinghua University and published bimonthly. This journal aims at presenti...The publication of Tsinghua Science and Technology was started in 1996. Since then, it has been an international academic journal sponsored by Tsinghua University and published bimonthly. This journal aims at presenting the state-of-art scientific achievements in computer science, and other IT fields, and is currently indexed by Ei and other abstracting indices. From year 2013, the journal will be available for open access through IEEE Xplore Digital Library. This year＇s special section on Wireless Computing and Networking of Tsinghua Science and Technology is devoted to gather and present new research that address the challenges in the broad areas of Wireless Networks, Sensor Networks, Wireless Computing and Communication. While Wireless Networks have great potential to provide heterogeneous access and services for ubiquitous users, the demanding communication environment of wireless networks imposes challenges to many interesting research topics, such as channel estimation, communication protocol design, resource management, system design and so on. In Wireless Network research, it is unavoidable to wrestle unique problems such as non-uniform spectrum allocation, various radio resource management policies, economic concerns, the scarcity of radio resources, and user mobility. This Special Section therefore aims to publish high quality, original, unpublished research papers in the broad area of Wireless Computing and Networking, and thus presents a platform for scientists and scholars to share their observations and research results in the field. Specific topics for this special section include but are not limited to：展开更多
Tsinghua Science and Technology is founded and published since 1996. It is an international academic journal sponsored by Tsinghua University and is published bimonthly. This journal aims at presenting the up-to-date ...Tsinghua Science and Technology is founded and published since 1996. It is an international academic journal sponsored by Tsinghua University and is published bimonthly. This journal aims at presenting the up-to-date scientific achievements in computer science, and other information technology fields. It is indexed by Ei and other abstracting and indexing services. From 2013, the journal commits to the open access at IEEE Xplore Digital Library.展开更多
CONSPECTUS:Finding catalytic materials with optimal properties for sustainable chemical and energy transformations is one of the pressing challenges facing our society today.Traditionally,the discovery of catalysts or...CONSPECTUS:Finding catalytic materials with optimal properties for sustainable chemical and energy transformations is one of the pressing challenges facing our society today.Traditionally,the discovery of catalysts or the philosopher’s stone of alchemists relies on a trial-and-error approach with physicochemical intuition.Decades-long advances in science and engineering,particularly in quantum chemistry and computing infrastructures,popularize a paradigm of computational science for materials discovery.However,the brute-force search through a vast chemical space is hampered by its formidable cost.In recent years,machine learning(ML)has emerged as a promising approach to streamline the design of active sites by learning from data.As ML is increasingly employed to make predictions in practical settings,the demand for domain interpretability is surging.Therefore,it is of great importance to provide an in-depth review of our efforts in tackling this challenging issue in computational heterogeneous catalysis.In this Account,we present an interpretable ML framework for accelerating catalytic materials design,particularly in driving sustainable carbon,nitrogen,and oxygen cycles.By leveraging the linear adsorption-energy scaling and Bronsted−Evans−Polanyi(BEP)relationships,catalytic outcomes(i.e.,activity,selectivity,and stability)of a multistep reaction can often be mapped onto one or two kinetics-informed descriptors.One type of descriptor of great importance is the adsorption energies of representative species at active site motifs that can be computed from quantum-chemical simulations.To complement such a descriptor-based design strategy,we delineate our endeavors in incorporating domain knowledge into a datadriven ML workflow.We demonstrate that the major drawbacks of black-box ML algorithms,e.g.,poor explainability,can be largely circumvented by employing(1)physics-inspired feature engineering,(2)Bayesian statistical learning,and(3)theory-infused deep neural networks.The framework drastically facilitates the design of heterogeneous metal-based catalysts,some of which have been experimentally verified for an array of sustainable chemistries.We offer some remarks on the existing challenges,opportunities,and future directions of interpretable ML in predicting catalytic materials and,more importantly,on advancing catalysis theory beyond conventional wisdom.We envision that this Account will attract more researchers’attention to develop highly accurate,easily explainable,and trustworthy materials design strategies,facilitating the transition to the data science paradigm for sustainability through catalysis.展开更多
文摘I provide some science and reflections from my experiences working in geophysics,along with connections to computational and data sciences,including recent developments in machine learning.I highlight several individuals and groups who have influenced me,both through direct collaborations as well as from ideas and insights that I have learned from.While my reflections are rooted in geophysics,they should also be relevant to other computational scientific and engineering fields.I also provide some thoughts for young,applied scientists and engineers.
文摘The rapid evolution of international trade necessitates the adoption of intelligent digital solutions to enhance trade facilitation.The Single Window System(SWS)has emerged as a key mechanism for streamlining trade documentation,customs clearance,and regulatory compliance.However,traditional SWS implementations face challenges such as data fragmentation,inefficient processing,and limited real-time intelligence.This study proposes a computational social science framework that integrates artificial intelligence(AI),machine learning,network analytics,and blockchain to optimize SWS operations.By employing predictive modeling,agentbased simulations,and algorithmic governance,this research demonstrates how computational methodologies improve trade efficiency,enhance regulatory compliance,and reduce transaction costs.Empirical case studies on AI-driven customs clearance,blockchain-enabled trade transparency,and network-based trade policy simulation illustrate the practical applications of these techniques.The study concludes that interdisciplinary collaboration and algorithmic governance are essential for advancing digital trade facilitation,ensuring resilience,transparency,and adaptability in global trade ecosystems.
基金financially supported by the State Administration for Market Regulation,China(No.2021MK050)the National Natural Science Foundation of China(Nos.50971043,51171046,21973012)+3 种基金the Key Research and Development Program of China(Nos.2022YFB3807200,CISRI-21T62450ZD)the Natural Science Foundation of Fujian Province,China(Nos.2021J01590,2020J01351,2018J01754,2020J01474)the Student Research and Training Program(SRTP) of Fuzhou University,China(No.29320)Fujian Provincial Department of Science & Technology,China(No.2021H6011)。
文摘In order to understand the influence of ordering behaviors on the thermodynamic and mechanical properties of multi-principal element alloys(MPEAs),the temperature-dependent thermodynamic properties and mechanical properties of FCC_CoNiV MPEAs were comparatively predicted,where the alloys were modeled as the ordered configurations based on our previously predicted site occupying fractions(SOFs),as well as disordered configuration based on traditional special quasi-random structure(SQS).The ordering behavior not only improves the thermodynamic stability of the structure,but also increases the elastic properties and Vickers hardness.For example,at 973 K,the predicted bulk modulus(B),shear modulus(G),Young’s modulus(E),and Vickers hardness(HV)of FCC_CoNiV MPEA based on SOFs configuration are 187.82,79.03,207.93,and 7.58 GPa,respectively,while the corresponded data are 172.58,57.45,155.14,and 4.64 GPa for the SQS configuration,respectively.The Vickers hardness predicted based on SOFs agrees considerably well with the available experimental data,while it is underestimated obviously based on SQS.
文摘1.INTRODUCTION.The integration of technology in medicine,particularly in the field of radiology,has led to significant advancements in patient care and diagnosis.While this digital transformation of healthcare has brought many benefits,it has also exposed radiological systems and sensitive patient data to unprecedented cybersecurity threats.This article aims to highlight the current cyberattack landscape,trends,and benefits of ethical hacking,which could be employed to identify vulnerabilities and improve cybersecurity defenses.
基金Supported by the National Basic Research Program of China under Grant No 2006CB705500, the National Natural Science Foundation of China under Grant Nos 60744003, 10635040 and 10532060, the Specialized Research Fund for the Doctoral Program of Higher Education of China under Grant No 20060358065, and the National Science Fund for Fostering Talents in Basic Science （J0630319）.
文摘We propose a new two-type-player prisoner＇s dilemma game based on the division of work on a square lattice, in which a fraction of the population μ are assigned type A and the rest B. In a one-shot two-player game, we let both of their original payoffs be scaled by a same multiplicative factor α 〉 1, if two neighboring players are of different types; however we leave the payoffs unchanged if they are of the same type. Then we show that combined with the two-type setup, the square lattice can assist to induce different social ranks according to players＇ abilities to collect payoffs. Simulation results show that the density of cooperation is significantly promoted for a wide range of the temptation to defection parameters and that there are optimal values for both α and μ leading to the maximal cooperation level. We reach these results by analyzing the distribution of the players in the social ranks and we also show some typical snapshots of the system.
文摘We investigate a minute magneto hydro-dynamic mixer with relatively rapid mixing enhancement experimentally and analytically. The mixer is fabricated with brass and polymethyl methacrylate （PMMA） layers. A secondary flow is generated by using the Lorentz force in the fluids. The efficiency of mixing is greatly improved due to the large increase of the contact area between two mixing fluids. The micro particle image velocimetry technique is employed to measure the fluid flow characteristics in the micro-channel. Numerical simulation is performed based on the theoretical model of the computational fluid dynamics and the electromagnetic field theory. The experimental results are in good agreement with the numerical results, which indicates that the mixing area is enlarged by the driving of Lorentz force and the mixing can be enhanced.
基金This work was supported by the National Key Research and Development Program of China(No.2020AAA0106501)the National Natural Science Foundation of China(No.62002029)Beijing Academy of Artificial Intelligence(BAAI).
文摘Computational Social Science(CSS),aiming at utilizing computational methods to address social science problems,is a recent emerging and fast-developing field.The study of CSS is data-driven and significantly benefits from the availability of online user-generated contents and social networks,which contain rich text and network data for investigation.However,these large-scale and multi-modal data also present researchers with a great challenge:how to represent data effectively to mine the meanings we want in CSS?To explore the answer,we give a thorough review of data representations in CSS for both text and network.Specifically,we summarize existing representations into two schemes,namely symbol-based and embeddingbased representations,and introduce a series of typical methods for each scheme.Afterwards,we present the applications of the above representations based on the investigation of more than 400 research articles from 6 top venues involved with CSS.From the statistics of these applications,we unearth the strength of each kind of representations and discover the tendency that embedding-based representations are emerging and obtaining increasing attention over the last decade.Finally,we discuss several key challenges and open issues for future directions.This survey aims to provide a deeper understanding and more advisable applications of data representations for CSS researchers.
文摘Aspects of techniques for understanding and developing a system which is useful in the context of Disaster Management are outlined in the paper. The emphasis is on techniques for the development of requirements and software - specifically here for the basic, underlying computing system whose application packages (amongst others: Decision Support Sub-Systems) shall support Disaster Prediction, Relief (Damage Assessment & Mitigation) and Recovery. Throughout the body of the paper we shall be making frequent references to Decision Support Sub-Systems. As acronym for the subject domain the author has chosen: DiMaCS: Disaster Management Computing Systems.
基金This project was supported by the National Natural Science Foundation (No. 69831020).
文摘A scheme for general purposed FDTD visual scientific computing software is introduced in this paper using object-oriented design (OOD) method. By abstracting the parameters of FDTD grids to an individual class and separating from the iteration procedure, the visual software can be adapted to more comprehensive computing problems. Real-time gray degree graphic and wave curve of the results can be achieved using DirectX technique. The special difference equation and data structure in dispersive medium are considered, and the peculiarity of parameters in perfectly matched layer are also discussed.
文摘We study the effect of mutation on the evolutionary prisoner＇s dilemma in highly clustered scale-free networks. It is found that cooperation is more sensitive and vulnerable to strategy mutation in more highly clustered networks. For small mutation rates, high clustering coefficient promotes cooperation. For medium mutation rates, high clustering coefficient inhibits the emergence of cooperation. For large mutation rates, cooperation is insensitive to clustering property. We provide explanations for the effects of clustering on cooperation with varied mutation rates.
基金Supported by the New Century Excellent Talent Project of the Ministry of Education of China under Grant No NECT-07-0112, and the National Natural Science Foundation of China under Grant No 10775022.
文摘We investigate the game theory in a structured population with the assumption that the evolution of network structure is far faster than that of strategy update. We find that the degree distribution for the finM network consists of two distinct parts： the low degree part which is contributed to by defectors and a broadband in the regime with high degree which is formed by cooperators. The structure of the final network and the final strategy pattern have also been numerically proved to be independent of the game parameters.
文摘Tsinghua Science and Technology was started publication in 1996. It is an international academic journal sponsored by Tsinghua University and is published bimonthly. This journal aims at presenting the up-to-date scientific achievements in computer science, electronic engineering, and other IT fields. It is indexed by Ei and other abstracting indexes. From 2012the journal enters into IEEE Xplore Digital Library.
基金supported by research grants from BMBF(German Federal Ministry for Education and Research)within the“Neuroallianz”consortium of the BioPharma initiativeby the Bonn International Graduate School of Drug Sciencessupported by the US National Institutes of Health grant#R01AI149487.
文摘The MAS-related G protein-coupled receptor-X2(MRGPRX2),an orphan receptor expressed on mast cells(MCs),is upregulated upon inflammation and induces hypersensitivity and inflammatory diseases.In contrast to the large number of MRGPRX2 agonists,only a few antagonists have been described,and no optimization has been reported to improve potency,selectivity,and drug-like properties.Antagonists with ancillary inhibition of the putative mouse ortholog MRGPRB2 have not been described.Here,we present a multi-disciplinary approach involving chemistry,biology,and computational science,resulting in the development of a smallmolecule MRGPRX2 antagonist(PSB-172656,3-ethyl-7,8-difluoro-2-isopropylbenzo[4,5]imidazo[1,2-a]pyrimidin-4(1H)-one)based on a fragment screening hit.The compound exhibits metabolic stability,low cytotoxicity,and competitive blockade of MRGPRX2 activation induced by a diverse range of agonists.It displays subnanomolar potency in Ca2+mobilization assays(Ki value 0.142 nM)and was found to block MRGPRX2-mediated Gαq and Gαi1 dissociation,in addition toβ-arrestin-2 recruitment.PSB-172656 is selective for MRGPRX2 versus all other MRGPRX subtypes.Its effect on MCs was confirmed in cell lines,including rat basophilic leukemia cells(RBL-2H3)recombinantly expressing human MRGPRX2,human Laboratory of Allergic Diseases 2(LAD2)MCs,and native human skin MCs.PSB-172656 was found to additionally block the putative mouse ortholog of MRGPRX2,MRGPRB2,as determined in Ca2+mobilization assays(Ki 0.302 nM),and to prevent mouse tracheal contractions,local allergic reactions,and systemic anaphylactic symptoms.PSB-172656 constitutes a unique pharmacological tool and has the potential to be developed as a drug for mast cell-mediated hypersensitivity reactions and chronic inflammatory diseases,addressing a huge unmet medical need.
基金supported by the National Natural Science Foundation of China(Grants Nos.12174450 and 11874429)the National Talents Program of China,the Science and Technology Innovation Program of Hunan Province(Grant No.2024RC1013)+3 种基金the Key Project of Hunan Provincial Natural Science Foundation(Grant No.2024JJ3029)the Hunan Provincial Key Research and Development Program(Grant No.2022WK2002)the Distinguished Youth Foundation of Hunan Province(Grant No.2020JJ2039),the Project of High-Level Talents Accumulation of Hunan Province(Grant No.2018RS3021)Program of Hundreds of Talents of Hunan Province,the State Key Laboratory of Powder Metallurgy,Start-up Funding and Innovation-Driven Plan(Grant No.2019CX023)of Central South University,Postgraduate Scientific Research Innovation Project of Hunan Province(Grants No.CX20230104)。
文摘Spin Hall effect(SHE)provides a promising solution to the realization of advantageous functionalities for spin-based recording and information processing.In this work,we conduct high-throughput calculations on the spin Hall conductivity(SHC)of antiperovskite compounds with the composition ZXM3,where Z is a nonmetal,X is a metal,and M is a platinum group metal.From an initial database over 4500 structures,we screen 295 structurally stable compounds and identify 24 compounds with intrinsic SHC exceeding 500(ℏ/e)(Ω^(⁻1)cm^(⁻1)).We reveal a strong dependence of SHC on spin-orbit coupling-induced energy splitting near the Fermi level.In addition,SHCs can be regulated through proper doping of electrons or holes.The present work establishes high-throughput database of SHC in antiperovskites which is crucial for designing future electric and spintronic devices.
基金supported by grants from Shenzhen Polytechnic University Research(Fund No.6025310042 K)the National Natural Science Foundation of China(No.NSFC62006109 and NSFC12031005).
文摘Purpose:This study investigates the impact of domestic mobility on Chinese scientists’academic performance and explores the predictors influencing their chances of moving to more prestigious institutions.Design/methodology/approach:Using publication and affiliation data from OpenAlex,we identified 2,896 scientists who relocated between cities in China from 2014 to 2017.We applied propensity score matching(PSM)to compare their academic outcomes post-mobility with a matched group of non-mobile peers.Multiple performance metrics were examined,including publication count,citation impact,number of collaborators,and university prestige.Ordered logistic regression was used to analyze factors influencing moves to higher-level institutions.Findings:Mobility enhances collaboration by increasing the number of coauthors but is associated with a short-term decline in citation impact.Scientists were more likely to move to lower-prestige universities.However,prior collaboration breadth and citation count positively predicted transitions to more prestigious institutions,while the number of publications did not.Research limitations:This study focuses on intra-national mobility within China from 2014 to 2017 and relies on quantitative data,lacking personal or qualitative variables such as gender,discipline-specific norms,or institutional culture.Data coverage for Chinese-language publications may also be limited.Practical implications:This research provides insights into academic hiring patterns and the trade-offs involved in scientist mobility.It offers valuable guidance for institutions aiming to enhance faculty recruitment and retention,as well as for researchers considering career transitions.Originality/value:This is a quantitative analysis of domestic scientist mobility in China using matched comparison and multi-dimensional academic indicators.The integration of university prestige metrics(Double First-Class and citation-based rankings)offers a nuanced view of career dynamics within the Chinese higher education system.
文摘The publication of Tsinghua Science and Technology was started in 1996. Since then, it has been an international academic journal sponsored by Tsinghua University and published bimonthly. This journal aims at presenting the state-of-art scientific achievements in computer science and other IT fields. One paper on Cloud Computing published in Vol. 18, Issue. 1, 2013, has been ranked the top of IEEE download list continuously for five months：
文摘The publication of Tsinghua Science and Technology was started in 1996. Since then, it has been an international academic journal sponsored by Tsinghua University and published bimonthly. This journal aims at presenting the state-of-art scientific achievements in computer science and other IT fields. One paper on Cloud Computing published in Vol. 18, Issue 1, 2013, has been ranked No. 1 of IEEE download list continuously for five months： http：//ieeexplore.ieee.org/xpl/browsePopular.jsp？topArticlesDate=August＋2013.
文摘The publication of Tsinghua Science and Technology was started in 1996. Since then, it has been an international academic journal sponsored by Tsinghua University and published bimonthly. This journal aims at presenting the state-of-art scientific achievements in computer science, and other IT fields, and is currently indexed by Ei and other abstracting indices. From year 2013, the journal will be available for open access through IEEE Xplore Digital Library. This year＇s special section on Wireless Computing and Networking of Tsinghua Science and Technology is devoted to gather and present new research that address the challenges in the broad areas of Wireless Networks, Sensor Networks, Wireless Computing and Communication. While Wireless Networks have great potential to provide heterogeneous access and services for ubiquitous users, the demanding communication environment of wireless networks imposes challenges to many interesting research topics, such as channel estimation, communication protocol design, resource management, system design and so on. In Wireless Network research, it is unavoidable to wrestle unique problems such as non-uniform spectrum allocation, various radio resource management policies, economic concerns, the scarcity of radio resources, and user mobility. This Special Section therefore aims to publish high quality, original, unpublished research papers in the broad area of Wireless Computing and Networking, and thus presents a platform for scientists and scholars to share their observations and research results in the field. Specific topics for this special section include but are not limited to：
文摘Tsinghua Science and Technology is founded and published since 1996. It is an international academic journal sponsored by Tsinghua University and is published bimonthly. This journal aims at presenting the up-to-date scientific achievements in computer science, and other information technology fields. It is indexed by Ei and other abstracting and indexing services. From 2013, the journal commits to the open access at IEEE Xplore Digital Library.
基金funding support from the NSF Chemical Catalysis program(CHE-2102363)support from the NSF CBET Catalysis program(CBET-2245402)the US Department of Energy,Office of Basic Energy Sciences under contract no.DESC0023323.
文摘CONSPECTUS:Finding catalytic materials with optimal properties for sustainable chemical and energy transformations is one of the pressing challenges facing our society today.Traditionally,the discovery of catalysts or the philosopher’s stone of alchemists relies on a trial-and-error approach with physicochemical intuition.Decades-long advances in science and engineering,particularly in quantum chemistry and computing infrastructures,popularize a paradigm of computational science for materials discovery.However,the brute-force search through a vast chemical space is hampered by its formidable cost.In recent years,machine learning(ML)has emerged as a promising approach to streamline the design of active sites by learning from data.As ML is increasingly employed to make predictions in practical settings,the demand for domain interpretability is surging.Therefore,it is of great importance to provide an in-depth review of our efforts in tackling this challenging issue in computational heterogeneous catalysis.In this Account,we present an interpretable ML framework for accelerating catalytic materials design,particularly in driving sustainable carbon,nitrogen,and oxygen cycles.By leveraging the linear adsorption-energy scaling and Bronsted−Evans−Polanyi(BEP)relationships,catalytic outcomes(i.e.,activity,selectivity,and stability)of a multistep reaction can often be mapped onto one or two kinetics-informed descriptors.One type of descriptor of great importance is the adsorption energies of representative species at active site motifs that can be computed from quantum-chemical simulations.To complement such a descriptor-based design strategy,we delineate our endeavors in incorporating domain knowledge into a datadriven ML workflow.We demonstrate that the major drawbacks of black-box ML algorithms,e.g.,poor explainability,can be largely circumvented by employing(1)physics-inspired feature engineering,(2)Bayesian statistical learning,and(3)theory-infused deep neural networks.The framework drastically facilitates the design of heterogeneous metal-based catalysts,some of which have been experimentally verified for an array of sustainable chemistries.We offer some remarks on the existing challenges,opportunities,and future directions of interpretable ML in predicting catalytic materials and,more importantly,on advancing catalysis theory beyond conventional wisdom.We envision that this Account will attract more researchers’attention to develop highly accurate,easily explainable,and trustworthy materials design strategies,facilitating the transition to the data science paradigm for sustainability through catalysis.
