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A multi-stream network for retrosynthesis prediction

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Frontiers of computer science 2024年第2期18卷 231-233页

作者： Qiang ZHANG Juan LIU wen ZHANG Feng yang Zhihui yang Xiaolei ZHANG Institute of Artificial Intelligence School of Computer ScienceWuhan UniversityWuhan 430072China college of Informatics Huazhong Agricultural UniversityWuhan 430072China

1 Introduction Retrosynthesis aims to predict a set of reactants for producing given molecules[1],which plays a significant part in the biochemistry field,such as molecular pathway design and drug *** existing methods perform better in solving this problem,most of these methods[2,3]only describe the molecules from one kind of perspective,such as they use Simplified Molecular Input Line Entry System(SMILES)strings[4]to represent the atomic components and the relationship between atoms of molecules or leverage Extended Connectivity Fingerprints(ECFPs)represent the information of the molecular sub-structure composition via binary vectors[5].

关键词： synthesis reactant hough

A Preliminary Study of the Noninvasive Remote Control System for Rat Bio-Robot

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Journal of Bionic Engineering 2010年第4期7卷 375-381页

作者： Xitian Pi~(1,2),Shuangshuang Li~1,Lin Xu~1,Hongying Liu~1,Shenshan Zhou~1,Kang Wei~1,Zhenyu Wang~1,Ziru Jia,Xiaolin Zheng~(1,2),Zhiyu wen~2 1.Bioengineering college,Chongqing university,Chongqing 400030,P.R.china 2.Key Laboratories for National Defense science and technology of Innovative Micro-Nano Devices and System technology,Chongqing university,Chongqing 400030,P.R.china [a] Bioengineering college Chongqing University Chongqing 400030 P. R. China [b] Key Laboratories for National Defense Science technology of Innovative Micro-Nano Devices System technology Chongqing University Chongqing 400030 P. R. China

A system is described here that can noninvasively control the navigation of freely behaving rat via ultrasonic,epidermaland LED photic stimulators on the *** system receives commands from a remote host computer to deliver specifiedelectrical stimulations to the hearing,pain and visual senses of the rat *** results demonstrate that the three stimuliwork in groups for the rat *** can control the rat to proceed and make right and left turns with great *** verified that the rat was able to reach a setting destination in the way of cable with the help of a person through theappropriate coordination of the three *** telemetry video camera mounted on the head of the rat also achieveddistant image acquisition and helped to adjust its navigation path over a distance of 300 *** a word,the non-invasive motioncontrol navigation system is a good,stable and reliable bio-robot.

关键词： rat navigation bio-robot ultrasonic stimulator epidermal stimulator LED photic stimulator

Contact Stress Reliability Analysis Model for Cylindrical Gear with Circular Arc Tooth Trace Based on an Improved Metamodel

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computer Modeling in Engineering & sciences 2024年第7期140卷 593-619页

作者： Qi Zhang Zhixin Chen yang Wu Guoqi Xiang Guang wen Xuegang Zhang Yongchun Xie Guangchun yang School of Intelligent Manufacturing&Automobile Chengdu Industrial Vocational Technical CollegeChengdu610218China School of Intelligent Manufacturing Panzhihua UniversityPanzhihua617000China School of Electrical Engineering Chengdu Industry and Trade CollegeChengdu601165China School of Mechanical Engineering Sichuan UniversityChengdu601165China Chengdu Technological university Chengdu611730China

Although there is currently no unified standard theoretical formula for calculating the contact stress of cylindrical gears with a circular arc tooth trace(referred to as CATT gear),a mathematical model for determining the contact stress of CATT gear is essential for studying how parameters affect its contact stress and building the contact stress limit state equation for contact stress reliability *** this study,a mathematical relationship between design parameters and contact stress is formulated using the *** enhance the model’s accuracy,we propose a new hybrid algorithm that merges the genetic algorithm with the Quantum Particle Swarm optimization algorithm,leveraging the strengths of ***,the“parental inheritance+self-learning”optimization model is used to fine-tune the KrigingMetamodel’s *** this,amathematicalmodel for calculating the contact stress of Variable Hyperbolic Circular-Arc-Tooth-Trace(VH-CATT)gears using the optimized Kriging model was *** then examined how different gear parameters affect the VH-CATT gears’contact *** simulation results show:(1)Improvements in R2,RMSE,and RMAE.R2 rose from0.9852 to 0.9974(a 1.22%increase),nearing 1,suggesting the optimized Kriging Metamodel’s global error is ***,RMSE dropped from3.9210 to 1.6492,a decline of 57.94%.The global error of the GA-IQPSO-Kriging algorithm was also reduced,with RMAE decreasing by 58.69%from 0.1823 to 0.0753,showing the algorithm’s enhanced *** a comparison of ten experimental groups selected randomly,the GA-IQPSO-Kriging and FEM-based contact analysis methods were used to measure contact *** revealed a maximum error of 12.11667 MPA,which represents 2.85%of the real value.(2)Several factors,including the pressure angle,tooth width,modulus,and tooth line radius,are inversely related to contact *** descending order of their impact on the contact stress is:tooth line radius>modulus

关键词： CATT gear contact stress finite element method metamodel hybrid algorithm influencing factors

Construction and cross-correlation analysis of the affective physiological response database

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science china(Information sciences) 2010年第9期53卷 1774-1784页

作者： wen WanHui1,QIU YuHui2,LIU GuangYuan1*,CHENG NanPu3.& HUANG XiTing4 1School of Electronic and Information Engineering,Southwest university,Chongqing 400715,china 2college of computer and Information science,Southwest university,Chongqing 400715,china 3School of Materials science and Engineering,Southwest university,Chongqing 400715,china 4School of Psychology,Southwest university,Chongqing 400715,china 1. School of Electronic and Information Engineering Southwest University Chongqing 400715 China2. College of Computer and Information Science Southwest University Chongqing 400715 China3. School of Materials Science and Engineering Southwest University Chongqing 400715 China4. School of Psychology Southwest University Chongqing 400715 China

Six kinds of emotions,namely joy,surprise,disgust,grief,anger and fear,are elicited from 300 ordinary college students by means of high-rated movie *** signals of galvanic skin response(GSR),heart rate(HR),blood volume pulse(BVP),electrocardiogram(ECG),respiration(Rsp.),facial electromyography(EMG) and two channels of electroencephalography(EEG) from the frontal lobe were recorded while the subjects were watching the affective eliciting *** samples of each kind of signals are analyzed by using random matrix theory(RMT).From the distribution of the eigenvalues and eigenvectors of the correlation matrices of BVP,facial EMG and two EEGs,we find that the statistical properties of these four kinds of signals coincide with the RMT ***,the largest eigenvalue and the corresponding eigenvector component distribution of the correlation matrices of GSR,HR,ECG and *** deviated significantly from the RMT *** experiments also reveal that the correlations between two arbitrary samples of BVP,facial EMG or EEGs does not result from affective response but from random noises,whereas the amplitude variations of GSR,HR,ECG and *** the correlated affective physiological response *** to the data analysis results of RMT,110 features are firstly extracted from the GSR and HR signals,and then a subset of the initial features is selected by using the Backward Selection *** affective data samples each of which is a vector of the features are classified by using a Fisher classifier,and furthermore,the user-independent emotion recognition systems with good prediction performance are constructed during the model selection process.

关键词： affective computing emotion recognition affective physiological response database correlation analysis random matrix theory

Quantum secure direct communication with cluster states

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science china(Physics,Mechanics & Astronomy) 2010年第7期53卷 1271-1275页

作者： CAO WeiFeng yang yuguang wen qiaoyan college of Electric and Information Engineering Zhengzhou University of Light IndustryZhengzhou 450002China State Key Laboratory of Networking and Switching technology Beijing University of Posts and TelecommunicationsBeijing 100876China college of computer science and technology Beijing University of TechnologyBeijing 100124China State Key Laboratory of Integrated Services Network Xidian UniversityXi’an 710071China State key Laboratory of Information Security Gradute university of Chinese Academy of sciences Beijing 100049China

A quantum secure direct communication protocol with cluster states is *** with the deterministic secure quantum communication protocol with the cluster state proposed by Yuan and Song(***.,2009,7:689),this protocol ca... 详细信息

关键词： quantum secure direct communication deterministic secure quantum communication cluster state

Game model of safety monitoring for arch dam deformation

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science china(Technological sciences) 2008年第S2期51卷 76-81页

作者： SU HuaiZhi1,2,WU ZhongRu1,2,GU YanChang1,2,HU Jiang1 & wen ZhiPing3 1 college of Water Conservancy and Hydropower Engineering,Hohai university,Nanjing 210098,china 2 National Engineering Research Center of Water Resources Efficient Utilization and Engineering Safety,Nanjing 210098,china 3 Department of computer Engineering,Nanjing Institute of technology,Nanjing 210013,china college of Water Conservancy and Hydropower Engineering Hohai University Nanjing 210098 China National Engineering Research Center of Water Resources Efficient Utilization and Engineering Safety Nanjing 210098 China Department of computer Engineering Nanjing Institute of Technology Nanjing 210013 China

Arch dam deformation is comprehensively affected by water pressure,temperature,dam's structural behavior and material properties as well as other *** them the water pressure and temperature are external factors(source factors) that cause dam deformation,and dam's structural behavior and material properties are the internal factors of deformation(resistance factors).The dam deformation is the result of the mutual game playing between source factors and resistance ***,resistance factors of structure and materials that reflect resistance character of arch dam structure are introduced into the traditional model,where structure factor is embodied by the flexibility coefficient of dam body and the maximum dam height,and material property is embodied by the elastic modulus of *** the basis of analyzing the correlation between dam deformation and resistance factors,the game model of safety monitoring for arch dam deformation is put forward.

关键词： arch dam deformation monitoring model flexibility coefficient game theory

Important Properties of Alternating Group A_6

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Wuhan university Journal of Natural sciences 1999年第4期4卷 404-408页

作者： HUANG Ben wen college of Mathematics and computer science, Wuhan university, Wuhan 430072, china Wuhan university College of Mathematics and Computer Science Wuhan China (GRID:grid.49470.3e) (ISNI:***)

By using electric computer machine, via computation method, we obtained some important properties of alternating group A \{6\} as below: 1) A \{6 \} has 501 subgroups in total, and for each subgroup we give its generators; 2) the index of A \{6\}'s subgroup can only be 1,2,3,4,5,6,8,9,10,12,18,24,36,60,360; 3) all subgroups of A \{6\} are separated into 22 conjugate classes, and the subgroups contained in each class are listed.

关键词： alternating group subgroup computer program

Fault tolerant quantum secret sharing against collective-amplitude-damping noise

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science china(Physics,Mechanics & Astronomy) 2011年第9期54卷 1619-1624页

作者： yang yuguang CHAI HaiPing WANG Yuan TENG YiWei wen qiaoyan college of computer science and technology Beijing University of Technology Beijing 100124 China State Key Laboratory of Integrated Services Network Xidian University Xi'an 710071 China State Key Laboratory of Networking and Switching technology Beijing University of Posts and Telecommunications Beijing 100876 China

We present a quantum secret sharing protocol against collective-amplitude-damping noise. Each logical qubit is encoded in two qubit noiseless states. So it can function over such a noisy channel. The two agents encode their messages on each logical qubit only by performing a permutation operation on two physical qubits. Although each logical qubit received by each agent only carries a bit of information, the boss Alice can read out her agents' information by discriminating two orthogonal states by performing single-qubit measurements assisted by local operation and classical communication (LOCC).

关键词： quantum secret sharing fault tolerant collective noise amplitude damping

technology of Arc-added Glow-discharge Brazing and Brazing of Ceramic to Metal

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厦门大学学报(自然科学版) 2002年第S1期 83-84页

作者： WANG wen-xian, ZHANG Yong-qing, ZHAO Peng-sheng (college of Material science and Engineering, Taiyuan university of technology, Taiyuan 030024, china)

A new brazing method, arc-added glow-discharge br az ing (AGB), was studied in respects of mechanism, technology, application and equ ipment in which the workpiece is directly heated by both ion bombardment of glow discharge and radiation heat of arc discharge. The AGB equipment was manufactured by Taiyuan university of technology and i t mainly consists of: (1) brazing furnace; (2) vacuum system; (3) power closet; (4) measuring and control system. The heating cycle of brazing was composed of heating speed, brazing temperatu re, heat-shielding time, and cooling speed and determined by brazing parameter such as limit degree of vacuum (Va), work pressure (P), glow voltage ( V), arc current (I), P-V match and brazing time (t). The effect o f brazing parameter on the quality of brazing joints was analyzed and discussed. The heating cycle of brazing was designed according to the material and structu re of the workpiece and the result of their optimization were controlled by a FX 2 industrial PC computer. Many metals or alien metals can be brazed by means of AGB method like steel, cop per, aluminum and stainless steel. However, the dominance of AGB is that non-me tals such as ceramic are brazed in AGB method. In the process of AGB, it is possible to deposit active active metallic elements on ceramic surface by glow discharge metallizing with arc source in which the s pattering deposition goes on with a high speed and can occur at a comparatively low temperature. Si 3N 4 ceramics have been put to test by using the above pro cess. Take the T-shaped joint brazing of Si 3N 4 to 45 # steel as an example (Si 3N 4 is of 13×13×7 mm in vertical position and 45 # steel is 1 mm thic k in horizontal position). After brazing, the compositions at different position s of the brazing fillet have been examined by EDX. EPMA analysis showed the exis tence of TiN on ceramic surface, which was produced by the following reaction: S i 3N 4+4Ti = 4TiN+3Si. TiN is a compound similar to metal, whi

关键词： brazing arc-added glow-discharge brazing tech nology ceramic