Optimizing chemical reaction parameters is an expensive optimization problem. Each experiment takes a long time and the raw materials are expensive. High-throughput methods combined with the parallel Efficient Global ...Optimizing chemical reaction parameters is an expensive optimization problem. Each experiment takes a long time and the raw materials are expensive. High-throughput methods combined with the parallel Efficient Global Optimization algorithm can effectively improve the efficiency of the search for optimal chemical reaction parameters. In this paper, we propose a multi-objective populated expectation improvement criterion for providing multiple near-optimal solutions in high-throughput chemical reaction optimization. An l-NSGA2, employing the Pseudo-power transformation method, is utilized to maximize the expected improvement acquisition function, resulting in a Pareto solution set comprising multiple designs. The approximation of the cost function can be calculated by the ensemble Gaussian process model, which greatly reduces the cost of the exact Gaussian process model. The proposed optimization method was tested on a SNAr benchmark problem. The results show that compared with the previous high-throughput experimental methods, our method can reduce the number of experiments by almost half. At the same time, it theoretically enhances temporal and spatial yields while minimizing by-product formation, potentially guiding real chemical reaction optimization.展开更多
The aim of this article is to present new existence results for globally efficient solutions of a strong vector equilibrium problem given by a sum of two functions via a generalized KKM principle, and to establish the...The aim of this article is to present new existence results for globally efficient solutions of a strong vector equilibrium problem given by a sum of two functions via a generalized KKM principle, and to establish the connectedness of the solutions set.展开更多
Alzheimer’s disease is a primary age-related neurodegenerative disorder that can result in impaired cognitive and memory functions.Although connections between changes in brain networks of Alzheimer’s disease patien...Alzheimer’s disease is a primary age-related neurodegenerative disorder that can result in impaired cognitive and memory functions.Although connections between changes in brain networks of Alzheimer’s disease patients have been established,the mechanisms that drive these alterations remain incompletely understood.This study,which was conducted in 2018 at Northeastern University in China,included data from 97 participants of the Alzheimer’s Disease Neuroimaging Initiative(ADNI)dataset covering genetics,imaging,and clinical data.All participants were divided into two groups:normal control(n=52;20 males and 32 females;mean age 73.90±4.72 years)and Alzheimer’s disease(n=45,23 males and 22 females;mean age 74.85±5.66).To uncover the wiring mechanisms that shaped changes in the topology of human brain networks of Alzheimer’s disease patients,we proposed a local naive Bayes brain network model based on graph theory.Our results showed that the proposed model provided an excellent fit to observe networks in all properties examined,including clustering coefficient,modularity,characteristic path length,network efficiency,betweenness,and degree distribution compared with empirical methods.This proposed model simulated the wiring changes in human brain networks between controls and Alzheimer’s disease patients.Our results demonstrate its utility in understanding relationships between brain tissue structure and cognitive or behavioral functions.The ADNI was performed in accordance with the Good Clinical Practice guidelines,US 21 CFR Part 50-Protection of Human Subjects,and Part 56-Institutional Review Boards(IRBs)/Research Good Clinical Practice guidelines Institutional Review Boards(IRBs)/Research Ethics Boards(REBs).展开更多
The Efficient Global Optimization(EGO)algorithm has been widely used in the numerical design optimization of engineering systems.However,the need for an uncertainty estimator limits the selection of a surrogate model....The Efficient Global Optimization(EGO)algorithm has been widely used in the numerical design optimization of engineering systems.However,the need for an uncertainty estimator limits the selection of a surrogate model.In this paper,a Sequential Ensemble Optimization(SEO)algorithm based on the ensemble model is proposed.In the proposed algorithm,there is no limitation on the selection of an individual surrogate model.Specifically,the SEO is built based on the EGO by extending the EGO algorithm so that it can be used in combination with the ensemble model.Also,a new uncertainty estimator for any surrogate model named the General Uncertainty Estimator(GUE)is proposed.The performance of the proposed SEO algorithm is verified by the simulations using ten well-known mathematical functions with varying dimensions.The results show that the proposed SEO algorithm performs better than the traditional EGO algorithm in terms of both the final optimization results and the convergence rate.Further,the proposed algorithm is applied to the global optimization control for turbo-fan engine acceleration schedule design.展开更多
Frequency generation in highly multimode nonlinear optical systems is inherently a complex process,giving rise to an exceedingly convoluted landscape of evolution dynamics.While predicting and controlling the global c...Frequency generation in highly multimode nonlinear optical systems is inherently a complex process,giving rise to an exceedingly convoluted landscape of evolution dynamics.While predicting and controlling the global conversion efficiencies in such nonlinear environments has long been considered impossible,here,we formally address this challenge even in scenarios involving a very large number of spatial modes.By utilizing fundamental notions from optical statistical mechanics,we develop a universal theoretical framework that effectively treats all frequency components as chemical reactants/products,capable of undergoing optical thermodynamic reactions facilitated by a variety of multi-wave mixing effects.These photon-photon reactions are governed by conservation laws that directly determine the optical temperatures and chemical potentials of the ensued chemical equilibria for each frequency species.In this context,we develop a comprehensive stoichiometric model and formally derive an expression that relates the chemical potentials to the optical stoichiometric coefficients,in a manner akin to atomic/molecular chemical reactions.This advancement unlocks new predictive capabilities that can facilitate the optimization of frequency generation in highly multimode photonic arrangements,surpassing the limitations of conventional schemes that rely exclusively on nonlinear optical dynamics.Notably,we identify a universal regime of Rayleigh-Jeans thermalization where an optical reaction at near-zero optical temperatures can promote the complete and entropically irreversible conversion of light to the fundamental mode at a target frequency.Our theoretical results are corroborated by numerical simulations in settings where second-harmonic generation,sum-frequency generation and four-wave mixing processes can manifest.展开更多
The existence conditions of globally proper efficient points and a useful property of ic- cone-convexlike set-valued maps are obtained. Under the assumption of the ic-cone-convexlikeness, the optimality conditions for...The existence conditions of globally proper efficient points and a useful property of ic- cone-convexlike set-valued maps are obtained. Under the assumption of the ic-cone-convexlikeness, the optimality conditions for globally proper efficient solutions are established in terms of Lagrange multipliers. The new concept of globally proper saddle-point for an appropriate set-valued Lagrange map is introduced and used to characterize the globally proper efficient solutions. The results which are obtained in this paper are proven under the conditions that the ordering cone need not to have a nonempty interior.展开更多
Data envelopment analysis has been successfully used in resource allocation problems.However,to the best of our knowledge,there are no allocation models proposed in the literature that simultaneously take both the glo...Data envelopment analysis has been successfully used in resource allocation problems.However,to the best of our knowledge,there are no allocation models proposed in the literature that simultaneously take both the global efficiency and growing potential into account.Hence,this research aims at developing an allocation model for extra input resources,which maximizes the global technical efficiency and scale efficiency of a decision-making unit(DMU)set while maintaining the pure technical efficiency(i.e.,growing potential)of each DMU.To this purpose,we first discuss the optimal resources required by each DMU.We prove that the optimal inputs for the DMU are actually the inputs of some most productive scale size(MPSS).We then propose the allocation model based on the discussion on the case of one DMU.The allocation model is illustrated using two numerical examples.展开更多
In this paper, stability results of solution mappings to perturbed vector generalized system are studied. Firstly, without the assumption of monotonicity, the Painleve-Kuratowski convergence of global efficient soluti...In this paper, stability results of solution mappings to perturbed vector generalized system are studied. Firstly, without the assumption of monotonicity, the Painleve-Kuratowski convergence of global efficient solution sets of a family of perturbed problems to the corresponding global efficient solution set of the generalized system is obtained, where the perturbations are performed on both the objective function and the feasible set. Then, the density and Painleve-Kuratowski convergence results of efficient solution sets are established by using gamma convergence, which is weaker than the assumption of continuous convergence. These results extend and improve the recent ones in the literature.展开更多
The concept of a cone subarcwise connected set-valued map is introduced. Several examples are given to illustrate that the cone subarcwise connected set-valued map is a proper generalization of the cone arcwise connec...The concept of a cone subarcwise connected set-valued map is introduced. Several examples are given to illustrate that the cone subarcwise connected set-valued map is a proper generalization of the cone arcwise connected set-valued map, as well as the arcwise connected set is a proper generalization of the convex set,respectively. Then, by virtue of the generalized second-order contingent epiderivative, second-order necessary optimality conditions are established for a point pair to be a local global proper efficient element of set-valued optimization problems. When objective function is cone subarcwise connected, a second-order sufficient optimality condition is also obtained for a point pair to be a global proper efficient element of set-valued optimization problems.展开更多
基金the Nature Foundation(Basic Research)Special Project of Shenyang(22-315-6-20)Liaoning Province Artificial Intelligence Innovation and Development Program Project(2023JH26/10300014)Basic Research Program of Shenyang Institute of Automation,Chinese Academy of Sciences(2023JC2K03).
文摘Optimizing chemical reaction parameters is an expensive optimization problem. Each experiment takes a long time and the raw materials are expensive. High-throughput methods combined with the parallel Efficient Global Optimization algorithm can effectively improve the efficiency of the search for optimal chemical reaction parameters. In this paper, we propose a multi-objective populated expectation improvement criterion for providing multiple near-optimal solutions in high-throughput chemical reaction optimization. An l-NSGA2, employing the Pseudo-power transformation method, is utilized to maximize the expected improvement acquisition function, resulting in a Pareto solution set comprising multiple designs. The approximation of the cost function can be calculated by the ensemble Gaussian process model, which greatly reduces the cost of the exact Gaussian process model. The proposed optimization method was tested on a SNAr benchmark problem. The results show that compared with the previous high-throughput experimental methods, our method can reduce the number of experiments by almost half. At the same time, it theoretically enhances temporal and spatial yields while minimizing by-product formation, potentially guiding real chemical reaction optimization.
文摘The aim of this article is to present new existence results for globally efficient solutions of a strong vector equilibrium problem given by a sum of two functions via a generalized KKM principle, and to establish the connectedness of the solutions set.
基金Fundamental Research Funds for the Central Universities in China,No.N161608001 and No.N171903002
文摘Alzheimer’s disease is a primary age-related neurodegenerative disorder that can result in impaired cognitive and memory functions.Although connections between changes in brain networks of Alzheimer’s disease patients have been established,the mechanisms that drive these alterations remain incompletely understood.This study,which was conducted in 2018 at Northeastern University in China,included data from 97 participants of the Alzheimer’s Disease Neuroimaging Initiative(ADNI)dataset covering genetics,imaging,and clinical data.All participants were divided into two groups:normal control(n=52;20 males and 32 females;mean age 73.90±4.72 years)and Alzheimer’s disease(n=45,23 males and 22 females;mean age 74.85±5.66).To uncover the wiring mechanisms that shaped changes in the topology of human brain networks of Alzheimer’s disease patients,we proposed a local naive Bayes brain network model based on graph theory.Our results showed that the proposed model provided an excellent fit to observe networks in all properties examined,including clustering coefficient,modularity,characteristic path length,network efficiency,betweenness,and degree distribution compared with empirical methods.This proposed model simulated the wiring changes in human brain networks between controls and Alzheimer’s disease patients.Our results demonstrate its utility in understanding relationships between brain tissue structure and cognitive or behavioral functions.The ADNI was performed in accordance with the Good Clinical Practice guidelines,US 21 CFR Part 50-Protection of Human Subjects,and Part 56-Institutional Review Boards(IRBs)/Research Good Clinical Practice guidelines Institutional Review Boards(IRBs)/Research Ethics Boards(REBs).
基金the financial support of the National Natural Science Foundation of China(Nos.52076180,51876176 and 51906204)National Science and Technology Major Project,China(No.2017-I0001-0001)。
文摘The Efficient Global Optimization(EGO)algorithm has been widely used in the numerical design optimization of engineering systems.However,the need for an uncertainty estimator limits the selection of a surrogate model.In this paper,a Sequential Ensemble Optimization(SEO)algorithm based on the ensemble model is proposed.In the proposed algorithm,there is no limitation on the selection of an individual surrogate model.Specifically,the SEO is built based on the EGO by extending the EGO algorithm so that it can be used in combination with the ensemble model.Also,a new uncertainty estimator for any surrogate model named the General Uncertainty Estimator(GUE)is proposed.The performance of the proposed SEO algorithm is verified by the simulations using ten well-known mathematical functions with varying dimensions.The results show that the proposed SEO algorithm performs better than the traditional EGO algorithm in terms of both the final optimization results and the convergence rate.Further,the proposed algorithm is applied to the global optimization control for turbo-fan engine acceleration schedule design.
基金supported by the Air Force Offce of Scientific Research(AFOSR)Multidisciplinary University Research Initiative(MURI)award on Novel light-matter interactions in topologically non-trivial Weyl semimetal structures and systems(award No.FA9550-20-1-0322)AFOSR MURI award on Programmable systems with non-Hermitian quantum dynamics(award no.FA9550-21-1-0202)+5 种基金ONR MURI award on the classical entanglement of light(award No.N00014-20-1-2789)the Army Research Offce(W911NF-23-1-0312)the Department of Energy(DE-SCo022282)W.M.Keck Foundation,the Department of Energy(DE-SCo025224),MPS Simons collaboration(Simons grant No.733682)US Air Force Research Laboratory(FA86511820019)AFRL-Applied Research Solutions(S03015)(FA8650-19-C-1692).
文摘Frequency generation in highly multimode nonlinear optical systems is inherently a complex process,giving rise to an exceedingly convoluted landscape of evolution dynamics.While predicting and controlling the global conversion efficiencies in such nonlinear environments has long been considered impossible,here,we formally address this challenge even in scenarios involving a very large number of spatial modes.By utilizing fundamental notions from optical statistical mechanics,we develop a universal theoretical framework that effectively treats all frequency components as chemical reactants/products,capable of undergoing optical thermodynamic reactions facilitated by a variety of multi-wave mixing effects.These photon-photon reactions are governed by conservation laws that directly determine the optical temperatures and chemical potentials of the ensued chemical equilibria for each frequency species.In this context,we develop a comprehensive stoichiometric model and formally derive an expression that relates the chemical potentials to the optical stoichiometric coefficients,in a manner akin to atomic/molecular chemical reactions.This advancement unlocks new predictive capabilities that can facilitate the optimization of frequency generation in highly multimode photonic arrangements,surpassing the limitations of conventional schemes that rely exclusively on nonlinear optical dynamics.Notably,we identify a universal regime of Rayleigh-Jeans thermalization where an optical reaction at near-zero optical temperatures can promote the complete and entropically irreversible conversion of light to the fundamental mode at a target frequency.Our theoretical results are corroborated by numerical simulations in settings where second-harmonic generation,sum-frequency generation and four-wave mixing processes can manifest.
基金Supported by Natural Science Foundation of Ningxia (No.NZ0959)Natural Science Foundation of the State Ethnic Affairs Commission of PRC (No.09BF06)Natural Science Foundation for the Youth (No.10901004)
文摘The existence conditions of globally proper efficient points and a useful property of ic- cone-convexlike set-valued maps are obtained. Under the assumption of the ic-cone-convexlikeness, the optimality conditions for globally proper efficient solutions are established in terms of Lagrange multipliers. The new concept of globally proper saddle-point for an appropriate set-valued Lagrange map is introduced and used to characterize the globally proper efficient solutions. The results which are obtained in this paper are proven under the conditions that the ordering cone need not to have a nonempty interior.
文摘Data envelopment analysis has been successfully used in resource allocation problems.However,to the best of our knowledge,there are no allocation models proposed in the literature that simultaneously take both the global efficiency and growing potential into account.Hence,this research aims at developing an allocation model for extra input resources,which maximizes the global technical efficiency and scale efficiency of a decision-making unit(DMU)set while maintaining the pure technical efficiency(i.e.,growing potential)of each DMU.To this purpose,we first discuss the optimal resources required by each DMU.We prove that the optimal inputs for the DMU are actually the inputs of some most productive scale size(MPSS).We then propose the allocation model based on the discussion on the case of one DMU.The allocation model is illustrated using two numerical examples.
基金Supported by the National Natural Science Foundation of China(No.11431004.11471059.11401058)the Basic and Advanced Research Project of Chongqing(cstc2017jcyj AX0382,cstc2015shmszx30004)+1 种基金the Program for University Innovation Team of Chongqing(CXTDX201601022)the Education Committee Project Foundation of Bayu Scholar
文摘In this paper, stability results of solution mappings to perturbed vector generalized system are studied. Firstly, without the assumption of monotonicity, the Painleve-Kuratowski convergence of global efficient solution sets of a family of perturbed problems to the corresponding global efficient solution set of the generalized system is obtained, where the perturbations are performed on both the objective function and the feasible set. Then, the density and Painleve-Kuratowski convergence results of efficient solution sets are established by using gamma convergence, which is weaker than the assumption of continuous convergence. These results extend and improve the recent ones in the literature.
基金Supported by the National Natural Science Foundation of China Grant 11461044the Natural Science Foundation of Jiangxi Province(20151BAB201027)the Science and Technology Foundation of the Education Department of Jiangxi Province(GJJ12010)
文摘The concept of a cone subarcwise connected set-valued map is introduced. Several examples are given to illustrate that the cone subarcwise connected set-valued map is a proper generalization of the cone arcwise connected set-valued map, as well as the arcwise connected set is a proper generalization of the convex set,respectively. Then, by virtue of the generalized second-order contingent epiderivative, second-order necessary optimality conditions are established for a point pair to be a local global proper efficient element of set-valued optimization problems. When objective function is cone subarcwise connected, a second-order sufficient optimality condition is also obtained for a point pair to be a global proper efficient element of set-valued optimization problems.
