Structural development defects essentially refer to code structure that violates object-oriented design principles. They make program maintenance challenging and deteriorate software quality over time. Various detecti...Structural development defects essentially refer to code structure that violates object-oriented design principles. They make program maintenance challenging and deteriorate software quality over time. Various detection approaches, ranging from traditional heuristic algorithms to machine learning methods, are used to identify these defects. Ensemble learning methods have strengthened the detection of these defects. However, existing approaches do not simultaneously exploit the capabilities of extracting relevant features from pre-trained models and the performance of neural networks for the classification task. Therefore, our goal has been to design a model that combines a pre-trained model to extract relevant features from code excerpts through transfer learning and a bagging method with a base estimator, a dense neural network, for defect classification. To achieve this, we composed multiple samples of the same size with replacements from the imbalanced dataset MLCQ1. For all the samples, we used the CodeT5-small variant to extract features and trained a bagging method with the neural network Roberta Classification Head to classify defects based on these features. We then compared this model to RandomForest, one of the ensemble methods that yields good results. Our experiments showed that the number of base estimators to use for bagging depends on the defect to be detected. Next, we observed that it was not necessary to use a data balancing technique with our model when the imbalance rate was 23%. Finally, for blob detection, RandomForest had a median MCC value of 0.36 compared to 0.12 for our method. However, our method was predominant in Long Method detection with a median MCC value of 0.53 compared to 0.42 for RandomForest. These results suggest that the performance of ensemble methods in detecting structural development defects is dependent on specific defects.展开更多
Heat integration is important for energy-saving in the process industry.It is linked to the persistently challenging task of optimal design of heat exchanger networks(HEN).Due to the inherent highly nonconvex nonlinea...Heat integration is important for energy-saving in the process industry.It is linked to the persistently challenging task of optimal design of heat exchanger networks(HEN).Due to the inherent highly nonconvex nonlinear and combinatorial nature of the HEN problem,it is not easy to find solutions of high quality for large-scale problems.The reinforcement learning(RL)method,which learns strategies through ongoing exploration and exploitation,reveals advantages in such area.However,due to the complexity of the HEN design problem,the RL method for HEN should be dedicated and designed.A hybrid strategy combining RL with mathematical programming is proposed to take better advantage of both methods.An insightful state representation of the HEN structure as well as a customized reward function is introduced.A Q-learning algorithm is applied to update the HEN structure using theε-greedy strategy.Better results are obtained from three literature cases of different scales.展开更多
Detecting well-known design patterns in object-oriented program source code can help maintainers understand the design of a program. Through the detection, the understandability, maintainability, and reusability of ob...Detecting well-known design patterns in object-oriented program source code can help maintainers understand the design of a program. Through the detection, the understandability, maintainability, and reusability of object-oriented programs can be improved. There are automated detection techniques;however, many existing techniques are based on static analysis and use strict conditions composed on class structure data. Hence, it is difficult for them to detect and distinguish design patterns in which the class structures are similar. Moreover, it is difficult for them to deal with diversity in design pattern applications. To solve these problems in existing techniques, we propose a design pattern detection technique using source code metrics and machine learning. Our technique judges candidates for the roles that compose design patterns by using machine learning and measurements of several metrics, and it detects design patterns by analyzing the relations between candidates. It suppresses false negatives and distinguishes patterns in which the class structures are similar. As a result of experimental evaluations with a set of programs, we confirmed that our technique is more accurate than two conventional techniques.展开更多
UML Class diagram generation from textual requirements is an important task in object-oriented design and programing course.This study proposes a method for automatically generating class diagrams from Chinese textual...UML Class diagram generation from textual requirements is an important task in object-oriented design and programing course.This study proposes a method for automatically generating class diagrams from Chinese textual requirements on the basis of Natural Language Processing(NLP)and mapping rules for sentence pattern matching.First,classes are identified through entity recognition rules and candidate class pruning rules using NLP from requirements.Second,class attributes and relationships between classes are extracted using mapping rules for sentence pattern matching on the basis of NLP.Third,we developed an assistant tool integrated into a precision micro classroom system for automatic generation of class diagram,to effectively assist the teaching of object-oriented design and programing course.Results are evaluated with precision,accuracy and recall from eight requirements of object-oriented design and programing course using truth values created by teachers.Our research should benefit beginners of object-oriented design and programing course,who may be students or software developers.It helps them to create correct domain models represented in the UML class diagram.展开更多
Presents an object-oriented NBO(node-block-object)data model for hypermedia system.It takes advantage of object-oriented method,encapsulates all multimedia information as well as link functions in one unit,It has succ...Presents an object-oriented NBO(node-block-object)data model for hypermedia system.It takes advantage of object-oriented method,encapsulates all multimedia information as well as link functions in one unit,It has successfully achieved cross link to offer much better flexibility and two-way link to realize forward and backward searching in hypermedia system navigation.A conditional relation on links has also been realized,that is very helpful for time sensitive multimedia information processing and multimedia object cooperation.展开更多
From a perspective of theoretical study, there are some faults in the models of the existing object-oriented programming languages. For example, C# does not support metaclasses, the primitive types of Java and C# are ...From a perspective of theoretical study, there are some faults in the models of the existing object-oriented programming languages. For example, C# does not support metaclasses, the primitive types of Java and C# are not objects, etc. So, this paper designs a programming language, Shrek, which integrates many language features and constructions in a compact and consistent model. The Shrek language is a class-based purely object-oriented language. It has a dynamical strong type system, and adopts a single-inheritance mechanism with Mixin as its complement. It has a consistent class instantiation and inheritance structure, and the ability of intercessive structural computational reflection, which enables it to support safe metaclass programming. It also supports multi-thread programming and automatic garbage collection, and enforces its expressive power by adopting a native method mechanism. The prototype system of the Shrek language is implemented and anticipated design goals are achieved.展开更多
Reinforcement learning(RL) has roots in dynamic programming and it is called adaptive/approximate dynamic programming(ADP) within the control community. This paper reviews recent developments in ADP along with RL and ...Reinforcement learning(RL) has roots in dynamic programming and it is called adaptive/approximate dynamic programming(ADP) within the control community. This paper reviews recent developments in ADP along with RL and its applications to various advanced control fields. First, the background of the development of ADP is described, emphasizing the significance of regulation and tracking control problems. Some effective offline and online algorithms for ADP/adaptive critic control are displayed, where the main results towards discrete-time systems and continuous-time systems are surveyed, respectively.Then, the research progress on adaptive critic control based on the event-triggered framework and under uncertain environment is discussed, respectively, where event-based design, robust stabilization, and game design are reviewed. Moreover, the extensions of ADP for addressing control problems under complex environment attract enormous attention. The ADP architecture is revisited under the perspective of data-driven and RL frameworks,showing how they promote ADP formulation significantly.Finally, several typical control applications with respect to RL and ADP are summarized, particularly in the fields of wastewater treatment processes and power systems, followed by some general prospects for future research. Overall, the comprehensive survey on ADP and RL for advanced control applications has d emonstrated its remarkable potential within the artificial intelligence era. In addition, it also plays a vital role in promoting environmental protection and industrial intelligence.展开更多
Most current object-oriented programming courses offered by domestic colleges and universities generally focus on the object-oriented programming language itself,i.e.,the programming grammar of the language,but ignore...Most current object-oriented programming courses offered by domestic colleges and universities generally focus on the object-oriented programming language itself,i.e.,the programming grammar of the language,but ignore the design pattern.However,design patterns are essential to software engineering because they can solve common problems in software design and improve code reuse,readability,extensibility,and reliability.Our Object-oriented Software Construction Course is creative since it aims at cultivating students’object-oriented thinking as well as basic abilities required to construct high-quality,object-oriented software.Specifically,we exploit the 5E teaching principle during the education of this course,and present the whole pipeline in the paper.We also provide one case of the factory pattern to further demonstrate the implementation of the 5E teaching principle in the course.The effect of the 5E teaching principle has also been demonstrated.展开更多
Aircraft designers strive to achieve optimal weight-reliability tradeoffs while designing an aircraft. Since aircraft wing skins account for more than fifty percent of their structural weight, aircraft wings must be d...Aircraft designers strive to achieve optimal weight-reliability tradeoffs while designing an aircraft. Since aircraft wing skins account for more than fifty percent of their structural weight, aircraft wings must be designed with utmost care and attention in terms of material types and thickness configurations. In particular, the selection of thickness at each location of the aircraft wing skin is the most consequential task for aircraft designers. To accomplish this, we present discrete mathematical programming models to obtain optimal thicknesses either to minimize weight or to maximize reliability. We present theoretical results for the decomposition of these discrete mathematical programming models to reduce computer memory requirements and facilitate the use of dynamic programming for design purposes. In particular, a decomposed version of the weight minimization problem is solved for an aircraft wing with thirty locations (or panels) and fourteen thickness choices for each location to yield an optimal minimum weight design.展开更多
The design of finite element analysis program using object-oriented programming (OOP) techniques is presented. The objects, classes and the subclasses used in the programming are explained. The system of classes libra...The design of finite element analysis program using object-oriented programming (OOP) techniques is presented. The objects, classes and the subclasses used in the programming are explained. The system of classes library of finite element analysis program and Windows-type Graphical User Interfaces by VC + + and its MFC are developed. The reliability, reusability and extensibility of program are enhanced. It is a reference to develop the large-scale, versatile and powerful systems of object-oriented finite element software.展开更多
Small-molecule drugs are essential for maintaining human health. The objective of this study is to identify a molecule that can inhibit the Factor Xa protein and be easily procured. An optimization-based de novo drug ...Small-molecule drugs are essential for maintaining human health. The objective of this study is to identify a molecule that can inhibit the Factor Xa protein and be easily procured. An optimization-based de novo drug design framework, Drug CAMD, that integrates a deep learning model with a mixed-integer nonlinear programming model is used for designing drug candidates. Within this framework, a virtual chemical library is specifically tailored to inhibit Factor Xa. To further filter and narrow down the lead compounds from the designed compounds, comprehensive approaches involving molecular docking,binding pose metadynamics(BPMD), binding free energy calculations, and enzyme activity inhibition analysis are utilized. To maximize efficiency in terms of time and resources, molecules for in vitro activity testing are initially selected from commercially available portions of customized virtual chemical libraries. In vitro studies assessing inhibitor activities have confirmed that the compound EN300-331859shows potential Factor Xa inhibition, with an IC_(50)value of 34.57 μmol·L^(-1). Through in silico molecular docking and BPMD, the most plausible binding pose for the EN300-331859-Factor Xa complex are identified. The estimated binding free energy values correlate well with the results obtained from biological assays. Consequently, EN300-331859 is identified as a novel and effective sub-micromolar inhibitor of Factor Xa.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
The growing complexity of System on Chip (SOC) requres a system level specicanon and design approach. High-level languages such as C++/SystemC can play multiple roles in system design as target languages. There ar...The growing complexity of System on Chip (SOC) requres a system level specicanon and design approach. High-level languages such as C++/SystemC can play multiple roles in system design as target languages. There are many practical problems in the application of object-oriented methods for this goal. Based on the analysis of traditional and system-level design methodology, a new object-oriented SOC design methodology with object-oriented design patterns is proposed, which emphasizes high-level design and verification. Aiming at the final goal of developing design patterns specific to SOC design, the reuse of design patterns in SOC systems and the capability of new SOC design patterns are discussed. With the illustration of some concrete examples of SOC design patterns, the application of object-oriented design methodology in the SOC design process is presented.展开更多
Objective To analyze the characteristics of breakthrough therapy designation(BTD)and its implementation in China,and to provide reference for the optimization of BTD system.Methods A comparative research method was us...Objective To analyze the characteristics of breakthrough therapy designation(BTD)and its implementation in China,and to provide reference for the optimization of BTD system.Methods A comparative research method was used to study the content and implementation effect of BTD system in China and the relevant policies and implementation of the same procedures of drug regulatory authorities in the United States,Japan and the European Union.Then,the differences in policies and implementation results among these countries were analyzed to provide suggestions for the implementation and optimization of this system in China.Results and Conclusion China’s BTD system is implemented late and a small number of drugs has been approved.At the same time,there are problems such as insufficient guidance and communication from the agency to applicants,a broad application condition,single review mode,and lack of full-time personnel.Both the agencies and the applicants have limited experience due to the short implementation time of BTD system in China.There are still some problems despite we have learned a lot from the experience of other drug regulatory agencies.Therefore,based on our national conditions,we should strengthen the guidance of evaluation agency to applicants,optimize the eligibility criteria of BTD system,introduce the rolling review,and increase the number of professional liaisons,which can accelerate the development and marketing process of drugs with obvious clinical value,and finally to address unmet medical need.展开更多
This article reports our research progress in concurrent design theory and methodology.The idea of Micro-Design-Cycle is introduced to provide a mechanism of coordinating variousdesign activities in parallel as much a...This article reports our research progress in concurrent design theory and methodology.The idea of Micro-Design-Cycle is introduced to provide a mechanism of coordinating variousdesign activities in parallel as much as possible.An Object-Life-Cycle diagram is developedas an instrument to visualize the Micro-Design-Cycle and as a practical tool of timing variousactivities being performed in Micro-Design-Cycles.展开更多
Design and manufacture organizations currently suffer from a number of problems that aignificantly affect their productivity.Despite their fragmented efforts to automate portioas of operations,they still suffer from &...Design and manufacture organizations currently suffer from a number of problems that aignificantly affect their productivity.Despite their fragmented efforts to automate portioas of operations,they still suffer from 'islands' of designing and manufacturing automation,long lead time for semi-custom proposals and engineering work, lengthy cycles of product development and introduction into the market,and low morale due to boring,repetitive engineering and industrial design activities.Thereby,the integration of design and manufacturing poses to the CAD/CAM researchere a series of challenges.The paper introduces a methodology that allows for the integration of product design with manufacturing process planning and the application of a new software technology known as 'Object-Oriented Intelligent Programming' .The task is achieved through an object-oriented intelligent CAD/CAM environment where a design model from the CAD system can be analysed, and manufacturing process plans with specifications of machining can be automatically determined.The manufacturing information of a part is extracted from the 3D geometric model and the 2D engineering drawing,thus,both geometric and non-geometric attributes of a part can be obtained.展开更多
The importance and complexity of prioritizing construction projects (PCP) in urban road network planning lead to the necessity to develop an aided decision making program (ADMP). Cost benefit ratio model and stage rol...The importance and complexity of prioritizing construction projects (PCP) in urban road network planning lead to the necessity to develop an aided decision making program (ADMP). Cost benefit ratio model and stage rolled method are chosen as the theoretical foundations of the program, and then benefit model is improved to accord with the actuality of urban traffic in China. Consequently, program flows, module functions and data structures are designed, and particularly an original data structure of road ...展开更多
In order to improve the design results for the reconfigurable frequency response masking FRM filters an improved design method based on second-order cone programming SOCP is proposed.Unlike traditional methods that se...In order to improve the design results for the reconfigurable frequency response masking FRM filters an improved design method based on second-order cone programming SOCP is proposed.Unlike traditional methods that separately design the proposed method takes all the desired designing modes into consideration when designing all the subfilters. First an initial solution is obtained by separately designing the subfilters and then the initial solution is updated by iteratively solving a SOCP problem. The proposed method is evaluated on a design example and simulation results demonstrate that jointly designing all the subfilters can obtain significantly lower minimax approximation errors compared to the conventional design method.展开更多
文摘Structural development defects essentially refer to code structure that violates object-oriented design principles. They make program maintenance challenging and deteriorate software quality over time. Various detection approaches, ranging from traditional heuristic algorithms to machine learning methods, are used to identify these defects. Ensemble learning methods have strengthened the detection of these defects. However, existing approaches do not simultaneously exploit the capabilities of extracting relevant features from pre-trained models and the performance of neural networks for the classification task. Therefore, our goal has been to design a model that combines a pre-trained model to extract relevant features from code excerpts through transfer learning and a bagging method with a base estimator, a dense neural network, for defect classification. To achieve this, we composed multiple samples of the same size with replacements from the imbalanced dataset MLCQ1. For all the samples, we used the CodeT5-small variant to extract features and trained a bagging method with the neural network Roberta Classification Head to classify defects based on these features. We then compared this model to RandomForest, one of the ensemble methods that yields good results. Our experiments showed that the number of base estimators to use for bagging depends on the defect to be detected. Next, we observed that it was not necessary to use a data balancing technique with our model when the imbalance rate was 23%. Finally, for blob detection, RandomForest had a median MCC value of 0.36 compared to 0.12 for our method. However, our method was predominant in Long Method detection with a median MCC value of 0.53 compared to 0.42 for RandomForest. These results suggest that the performance of ensemble methods in detecting structural development defects is dependent on specific defects.
基金The financial support provided by the Project of National Natural Science Foundation of China(U22A20415,21978256,22308314)“Pioneer”and“Leading Goose”Research&Development Program of Zhejiang(2022C01SA442617)。
文摘Heat integration is important for energy-saving in the process industry.It is linked to the persistently challenging task of optimal design of heat exchanger networks(HEN).Due to the inherent highly nonconvex nonlinear and combinatorial nature of the HEN problem,it is not easy to find solutions of high quality for large-scale problems.The reinforcement learning(RL)method,which learns strategies through ongoing exploration and exploitation,reveals advantages in such area.However,due to the complexity of the HEN design problem,the RL method for HEN should be dedicated and designed.A hybrid strategy combining RL with mathematical programming is proposed to take better advantage of both methods.An insightful state representation of the HEN structure as well as a customized reward function is introduced.A Q-learning algorithm is applied to update the HEN structure using theε-greedy strategy.Better results are obtained from three literature cases of different scales.
文摘Detecting well-known design patterns in object-oriented program source code can help maintainers understand the design of a program. Through the detection, the understandability, maintainability, and reusability of object-oriented programs can be improved. There are automated detection techniques;however, many existing techniques are based on static analysis and use strict conditions composed on class structure data. Hence, it is difficult for them to detect and distinguish design patterns in which the class structures are similar. Moreover, it is difficult for them to deal with diversity in design pattern applications. To solve these problems in existing techniques, we propose a design pattern detection technique using source code metrics and machine learning. Our technique judges candidates for the roles that compose design patterns by using machine learning and measurements of several metrics, and it detects design patterns by analyzing the relations between candidates. It suppresses false negatives and distinguishes patterns in which the class structures are similar. As a result of experimental evaluations with a set of programs, we confirmed that our technique is more accurate than two conventional techniques.
基金This work is supported by the Collaborative education project of QST Innovation Technology Group Co.,Ltd and the Ministry of Education of PRC(NO.201801243022).
文摘UML Class diagram generation from textual requirements is an important task in object-oriented design and programing course.This study proposes a method for automatically generating class diagrams from Chinese textual requirements on the basis of Natural Language Processing(NLP)and mapping rules for sentence pattern matching.First,classes are identified through entity recognition rules and candidate class pruning rules using NLP from requirements.Second,class attributes and relationships between classes are extracted using mapping rules for sentence pattern matching on the basis of NLP.Third,we developed an assistant tool integrated into a precision micro classroom system for automatic generation of class diagram,to effectively assist the teaching of object-oriented design and programing course.Results are evaluated with precision,accuracy and recall from eight requirements of object-oriented design and programing course using truth values created by teachers.Our research should benefit beginners of object-oriented design and programing course,who may be students or software developers.It helps them to create correct domain models represented in the UML class diagram.
文摘Presents an object-oriented NBO(node-block-object)data model for hypermedia system.It takes advantage of object-oriented method,encapsulates all multimedia information as well as link functions in one unit,It has successfully achieved cross link to offer much better flexibility and two-way link to realize forward and backward searching in hypermedia system navigation.A conditional relation on links has also been realized,that is very helpful for time sensitive multimedia information processing and multimedia object cooperation.
基金The National Science Fund for Distinguished Young Scholars (No.60425206)the National Natural Science Foundation of China (No.60633010)the Natural Science Foundation of Jiangsu Province(No.BK2006094)
文摘From a perspective of theoretical study, there are some faults in the models of the existing object-oriented programming languages. For example, C# does not support metaclasses, the primitive types of Java and C# are not objects, etc. So, this paper designs a programming language, Shrek, which integrates many language features and constructions in a compact and consistent model. The Shrek language is a class-based purely object-oriented language. It has a dynamical strong type system, and adopts a single-inheritance mechanism with Mixin as its complement. It has a consistent class instantiation and inheritance structure, and the ability of intercessive structural computational reflection, which enables it to support safe metaclass programming. It also supports multi-thread programming and automatic garbage collection, and enforces its expressive power by adopting a native method mechanism. The prototype system of the Shrek language is implemented and anticipated design goals are achieved.
基金supported in part by the National Natural Science Foundation of China(62222301, 62073085, 62073158, 61890930-5, 62021003)the National Key Research and Development Program of China (2021ZD0112302, 2021ZD0112301, 2018YFC1900800-5)Beijing Natural Science Foundation (JQ19013)。
文摘Reinforcement learning(RL) has roots in dynamic programming and it is called adaptive/approximate dynamic programming(ADP) within the control community. This paper reviews recent developments in ADP along with RL and its applications to various advanced control fields. First, the background of the development of ADP is described, emphasizing the significance of regulation and tracking control problems. Some effective offline and online algorithms for ADP/adaptive critic control are displayed, where the main results towards discrete-time systems and continuous-time systems are surveyed, respectively.Then, the research progress on adaptive critic control based on the event-triggered framework and under uncertain environment is discussed, respectively, where event-based design, robust stabilization, and game design are reviewed. Moreover, the extensions of ADP for addressing control problems under complex environment attract enormous attention. The ADP architecture is revisited under the perspective of data-driven and RL frameworks,showing how they promote ADP formulation significantly.Finally, several typical control applications with respect to RL and ADP are summarized, particularly in the fields of wastewater treatment processes and power systems, followed by some general prospects for future research. Overall, the comprehensive survey on ADP and RL for advanced control applications has d emonstrated its remarkable potential within the artificial intelligence era. In addition, it also plays a vital role in promoting environmental protection and industrial intelligence.
基金supported by Guangdong Hardware and System Teaching and Research Office(Quality Engineeringproject No.HITSZERP22002)+2 种基金Guangdong Province Education Science Planning Project(Higher Education Project,Project No.2022GXJK431)Harbin Institute of Technology(Shenzhen)Course Ideological and Political Project(Project No.HITSZIP21003)Construction Project of Teachers College of Harbin Institute of Technology(Shenzhen)(Project No.HITSZSFXY202201)。
文摘Most current object-oriented programming courses offered by domestic colleges and universities generally focus on the object-oriented programming language itself,i.e.,the programming grammar of the language,but ignore the design pattern.However,design patterns are essential to software engineering because they can solve common problems in software design and improve code reuse,readability,extensibility,and reliability.Our Object-oriented Software Construction Course is creative since it aims at cultivating students’object-oriented thinking as well as basic abilities required to construct high-quality,object-oriented software.Specifically,we exploit the 5E teaching principle during the education of this course,and present the whole pipeline in the paper.We also provide one case of the factory pattern to further demonstrate the implementation of the 5E teaching principle in the course.The effect of the 5E teaching principle has also been demonstrated.
文摘Aircraft designers strive to achieve optimal weight-reliability tradeoffs while designing an aircraft. Since aircraft wing skins account for more than fifty percent of their structural weight, aircraft wings must be designed with utmost care and attention in terms of material types and thickness configurations. In particular, the selection of thickness at each location of the aircraft wing skin is the most consequential task for aircraft designers. To accomplish this, we present discrete mathematical programming models to obtain optimal thicknesses either to minimize weight or to maximize reliability. We present theoretical results for the decomposition of these discrete mathematical programming models to reduce computer memory requirements and facilitate the use of dynamic programming for design purposes. In particular, a decomposed version of the weight minimization problem is solved for an aircraft wing with thirty locations (or panels) and fourteen thickness choices for each location to yield an optimal minimum weight design.
文摘The design of finite element analysis program using object-oriented programming (OOP) techniques is presented. The objects, classes and the subclasses used in the programming are explained. The system of classes library of finite element analysis program and Windows-type Graphical User Interfaces by VC + + and its MFC are developed. The reliability, reusability and extensibility of program are enhanced. It is a reference to develop the large-scale, versatile and powerful systems of object-oriented finite element software.
基金financial supports of the National Natural Science Foundation of China (22078041, 22278053,22208042)Dalian High-level Talents Innovation Support Program (2023RQ059)“the Fundamental Research Funds for the Central Universities (DUT20JC41, DUT22YG218)”。
文摘Small-molecule drugs are essential for maintaining human health. The objective of this study is to identify a molecule that can inhibit the Factor Xa protein and be easily procured. An optimization-based de novo drug design framework, Drug CAMD, that integrates a deep learning model with a mixed-integer nonlinear programming model is used for designing drug candidates. Within this framework, a virtual chemical library is specifically tailored to inhibit Factor Xa. To further filter and narrow down the lead compounds from the designed compounds, comprehensive approaches involving molecular docking,binding pose metadynamics(BPMD), binding free energy calculations, and enzyme activity inhibition analysis are utilized. To maximize efficiency in terms of time and resources, molecules for in vitro activity testing are initially selected from commercially available portions of customized virtual chemical libraries. In vitro studies assessing inhibitor activities have confirmed that the compound EN300-331859shows potential Factor Xa inhibition, with an IC_(50)value of 34.57 μmol·L^(-1). Through in silico molecular docking and BPMD, the most plausible binding pose for the EN300-331859-Factor Xa complex are identified. The estimated binding free energy values correlate well with the results obtained from biological assays. Consequently, EN300-331859 is identified as a novel and effective sub-micromolar inhibitor of Factor Xa.
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The growing complexity of System on Chip (SOC) requres a system level specicanon and design approach. High-level languages such as C++/SystemC can play multiple roles in system design as target languages. There are many practical problems in the application of object-oriented methods for this goal. Based on the analysis of traditional and system-level design methodology, a new object-oriented SOC design methodology with object-oriented design patterns is proposed, which emphasizes high-level design and verification. Aiming at the final goal of developing design patterns specific to SOC design, the reuse of design patterns in SOC systems and the capability of new SOC design patterns are discussed. With the illustration of some concrete examples of SOC design patterns, the application of object-oriented design methodology in the SOC design process is presented.
基金Special Fund for Academy of Pharmaceutical Regulatory Sciences of Research Base for Drug Regulatory Science of National Medical Products Administration-Shenyang Pharmaceutical University(2021jgkx004).
文摘Objective To analyze the characteristics of breakthrough therapy designation(BTD)and its implementation in China,and to provide reference for the optimization of BTD system.Methods A comparative research method was used to study the content and implementation effect of BTD system in China and the relevant policies and implementation of the same procedures of drug regulatory authorities in the United States,Japan and the European Union.Then,the differences in policies and implementation results among these countries were analyzed to provide suggestions for the implementation and optimization of this system in China.Results and Conclusion China’s BTD system is implemented late and a small number of drugs has been approved.At the same time,there are problems such as insufficient guidance and communication from the agency to applicants,a broad application condition,single review mode,and lack of full-time personnel.Both the agencies and the applicants have limited experience due to the short implementation time of BTD system in China.There are still some problems despite we have learned a lot from the experience of other drug regulatory agencies.Therefore,based on our national conditions,we should strengthen the guidance of evaluation agency to applicants,optimize the eligibility criteria of BTD system,introduce the rolling review,and increase the number of professional liaisons,which can accelerate the development and marketing process of drugs with obvious clinical value,and finally to address unmet medical need.
基金the High Technology Research and Development Programme of china.
文摘This article reports our research progress in concurrent design theory and methodology.The idea of Micro-Design-Cycle is introduced to provide a mechanism of coordinating variousdesign activities in parallel as much as possible.An Object-Life-Cycle diagram is developedas an instrument to visualize the Micro-Design-Cycle and as a practical tool of timing variousactivities being performed in Micro-Design-Cycles.
文摘Design and manufacture organizations currently suffer from a number of problems that aignificantly affect their productivity.Despite their fragmented efforts to automate portioas of operations,they still suffer from 'islands' of designing and manufacturing automation,long lead time for semi-custom proposals and engineering work, lengthy cycles of product development and introduction into the market,and low morale due to boring,repetitive engineering and industrial design activities.Thereby,the integration of design and manufacturing poses to the CAD/CAM researchere a series of challenges.The paper introduces a methodology that allows for the integration of product design with manufacturing process planning and the application of a new software technology known as 'Object-Oriented Intelligent Programming' .The task is achieved through an object-oriented intelligent CAD/CAM environment where a design model from the CAD system can be analysed, and manufacturing process plans with specifications of machining can be automatically determined.The manufacturing information of a part is extracted from the 3D geometric model and the 2D engineering drawing,thus,both geometric and non-geometric attributes of a part can be obtained.
文摘The importance and complexity of prioritizing construction projects (PCP) in urban road network planning lead to the necessity to develop an aided decision making program (ADMP). Cost benefit ratio model and stage rolled method are chosen as the theoretical foundations of the program, and then benefit model is improved to accord with the actuality of urban traffic in China. Consequently, program flows, module functions and data structures are designed, and particularly an original data structure of road ...
基金The National Natural Science Foundation of China(No.61231002,61273266,61375028)the Ph.D.Programs Foundation of Ministry of Education of China(No.20110092130004)
文摘In order to improve the design results for the reconfigurable frequency response masking FRM filters an improved design method based on second-order cone programming SOCP is proposed.Unlike traditional methods that separately design the proposed method takes all the desired designing modes into consideration when designing all the subfilters. First an initial solution is obtained by separately designing the subfilters and then the initial solution is updated by iteratively solving a SOCP problem. The proposed method is evaluated on a design example and simulation results demonstrate that jointly designing all the subfilters can obtain significantly lower minimax approximation errors compared to the conventional design method.