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
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
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
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 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
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
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.
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.
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 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.
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.