Aimed at the problem that the traditional ART-2 neural network can not recognize a gradually changing course, an eternal term memory (ETM) vector is introduced into ART-2 to simulate the function of human brain, i.e. ...Aimed at the problem that the traditional ART-2 neural network can not recognize a gradually changing course, an eternal term memory (ETM) vector is introduced into ART-2 to simulate the function of human brain, i.e. the deep remembrance for the initial impression.. The eternal term memory vector is determined only by the initial vector that establishes category neuron node and is used to keep the remembrance for this vector for ever. Two times of vigilance algorithm are put forward, and the posterior input vector must first pass the first vigilance of this eternal term memory vector, only succeeded has it the qualification to begin the second vigilance of long term memory vector. The long term memory vector can be revised only when both of the vigilances are passed. Results of recognition examples show that the improved ART-2 overcomes the defect of traditional ART-2 and can recognize a gradually changing course effectively.展开更多
Severe acute respiratory syndrome coronavirus 2(SARS-CoV-2)mutations are influenced by random and uncontrollable factors,and the risk of the next widespread epidemic remains.Dual-target drugs that synergistically act ...Severe acute respiratory syndrome coronavirus 2(SARS-CoV-2)mutations are influenced by random and uncontrollable factors,and the risk of the next widespread epidemic remains.Dual-target drugs that synergistically act on two targets exhibit strong therapeutic effects and advantages against mutations.In this study,a novel computational workflow was developed to design dual-target SARS-CoV-2 candidate inhibitors with the Envelope protein and Main protease selected as the two target proteins.The drug-like molecules of our self-constructed 3D scaffold database were used as high-throughput molecular docking probes for feature extraction of two target protein pockets.A multi-layer perceptron(MLP)was employed to embed the binding affinities into a latent space as conditional vectors to control conditional distribution.Utilizing a conditional generative neural network,cG-SchNet,with 3D Euclidean group(E3)symmetries,the conditional probability distributions of molecular 3D structures were acquired and a set of novel SARS-CoV-2 dual-target candidate inhibitors were generated.The 1D probability,2D joint probability,and 2D cumulative probability distribution results indicate that the generated sets are significantly enhanced compared to the training set in the high binding affinity area.Among the 201 generated molecules,42 molecules exhibited a sum binding affinity exceeding 17.0 kcal/mol while 9 of them having a sum binding affinity exceeding 19.0 kcal/mol,demonstrating structure diversity along with strong dual-target affinities,good absorption,distribution,metabolism,excretion,and toxicity(ADMET)properties,and ease of synthesis.Dual-target drugs are rare and difficult to find,and our“high-throughput docking-multi-conditional generation”workflow offers a wide range of options for designing or optimizing potent dual-target SARS-CoV-2 inhibitors.展开更多
With the advancement of Vehicle-to-Everything(V2X)technology,efficient resource allocation in dynamic vehicular networks has become a critical challenge for achieving optimal performance.Existing methods suffer from h...With the advancement of Vehicle-to-Everything(V2X)technology,efficient resource allocation in dynamic vehicular networks has become a critical challenge for achieving optimal performance.Existing methods suffer from high computational complexity and decision latency under high-density traffic and heterogeneous network conditions.To address these challenges,this study presents an innovative framework that combines Graph Neural Networks(GNNs)with a Double Deep Q-Network(DDQN),utilizing dynamic graph structures and reinforcement learning.An adaptive neighbor sampling mechanism is introduced to dynamically select the most relevant neighbors based on interference levels and network topology,thereby improving decision accuracy and efficiency.Meanwhile,the framework models communication links as nodes and interference relationships as edges,effectively capturing the direct impact of interference on resource allocation while reducing computational complexity and preserving critical interaction information.Employing an aggregation mechanism based on the Graph Attention Network(GAT),it dynamically adjusts the neighbor sampling scope and performs attention-weighted aggregation based on node importance,ensuring more efficient and adaptive resource management.This design ensures reliable Vehicle-to-Vehicle(V2V)communication while maintaining high Vehicle-to-Infrastructure(V2I)throughput.The framework retains the global feature learning capabilities of GNNs and supports distributed network deployment,allowing vehicles to extract low-dimensional graph embeddings from local observations for real-time resource decisions.Experimental results demonstrate that the proposed method significantly reduces computational overhead,mitigates latency,and improves resource utilization efficiency in vehicular networks under complex traffic scenarios.This research not only provides a novel solution to resource allocation challenges in V2X networks but also advances the application of DDQN in intelligent transportation systems,offering substantial theoretical significance and practical value.展开更多
High-entropy alloy(HEA)offer tunable composition and surface structures,enabling the creation of novel active sites that enhance catalytic performance in renewable energy application.However,the inherent surface compl...High-entropy alloy(HEA)offer tunable composition and surface structures,enabling the creation of novel active sites that enhance catalytic performance in renewable energy application.However,the inherent surface complexity and tendency for elemental segregation,which results in discrepancies between bulk and surface compositions,pose challenges for direct investigation via density functional theory.To address this,Monte Carlo simulations combined with molecular dynamics were employed to model surface segregation across a broad range of elements,including Cu,Ag,Au,Pt,Pd,and Al.The analysis revealed a trend in surface segregation propensity following the order Ag>Au>Al>Cu>Pd>Pt.To capture the correlation between surface site characteristics and the free energy of multi-dentate CO_(2)reduction intermediates,a graph neural network was designed,where adsorbates were transformed into pseudo-atoms at their centers of mass.This model achieved mean absolute errors of 0.08–0.15 eV for the free energies of C_(2)intermediates,enabling precise site activity quantification.Results indicated that increasing the concentration of Cu,Ag,and Al significantly boosts activity for CO and C_(2)formation,whereas Au,Pd,and Pt exhibit negative effects.By screening stable composition space,promising HEA bulk compositions for CO,HCOOH,and C_(2)products were predicted,offering superior catalytic activity compared to pure Cu catalysts.展开更多
In this paper,we jointly design the power control and position dispatch for Multi-Unmanned Aerial Vehicle(UAV)-enabled communication in Device-to-Device(D2D)networks.Our objective is to maximize the total transmission...In this paper,we jointly design the power control and position dispatch for Multi-Unmanned Aerial Vehicle(UAV)-enabled communication in Device-to-Device(D2D)networks.Our objective is to maximize the total transmission rate of Downlink Users(DUs).Meanwhile,the Quality of Service(QoS)of all D2D users must be satisfied.We comprehensively considered the interference among D2D communications and downlink transmissions.The original problem is strongly non-convex,which requires high computational complexity for traditional optimization methods.And to make matters worse,the results are not necessarily globally optimal.In this paper,we propose a novel Graph Neural Networks(GNN)based approach that can map the considered system into a specific graph structure and achieve the optimal solution in a low complexity manner.Particularly,we first construct a GNN-based model for the proposed network,in which the transmission links and interference links are formulated as vertexes and edges,respectively.Then,by taking the channel state information and the coordinates of ground users as the inputs,as well as the location of UAVs and the transmission power of all transmitters as outputs,we obtain the mapping from inputs to outputs through training the parameters of GNN.Simulation results verified that the way to maximize the total transmission rate of DUs can be extracted effectively via the training on samples.Moreover,it also shows that the performance of proposed GNN-based method is better than that of traditional means.展开更多
To reduce CO_(2) emissions in response to global climate change,shale reservoirs could be ideal candidates for long-term carbon geo-sequestration involving multi-scale transport processes.However,most current CO_(2) s...To reduce CO_(2) emissions in response to global climate change,shale reservoirs could be ideal candidates for long-term carbon geo-sequestration involving multi-scale transport processes.However,most current CO_(2) sequestration models do not adequately consider multiple transport mechanisms.Moreover,the evaluation of CO_(2) storage processes usually involves laborious and time-consuming numerical simulations unsuitable for practical prediction and decision-making.In this paper,an integrated model involving gas diffusion,adsorption,dissolution,slip flow,and Darcy flow is proposed to accurately characterize CO_(2) storage in depleted shale reservoirs,supporting the establishment of a training database.On this basis,a hybrid physics-informed data-driven neural network(HPDNN)is developed as a deep learning surrogate for prediction and inversion.By incorporating multiple sources of scientific knowledge,the HPDNN can be configured with limited simulation resources,significantly accelerating the forward and inversion processes.Furthermore,the HPDNN can more intelligently predict injection performance,precisely perform reservoir parameter inversion,and reasonably evaluate the CO_(2) storage capacity under complicated scenarios.The validation and test results demonstrate that the HPDNN can ensure high accuracy and strong robustness across an extensive applicability range when dealing with field data with multiple noise sources.This study has tremendous potential to replace traditional modeling tools for predicting and making decisions about CO_(2) storage projects in depleted shale reservoirs.展开更多
The high thermal conductivity of the nanoparticles in hybrid nanofluids results in enhanced thermal conductivity associated with their base fluids.Enhanced heat transfer is a result of this high thermal conductivity,w...The high thermal conductivity of the nanoparticles in hybrid nanofluids results in enhanced thermal conductivity associated with their base fluids.Enhanced heat transfer is a result of this high thermal conductivity,which has significant applications in heat exchangers and engineering devices.To optimize heat transfer,a liquid film of Cu and TiO_(2)hybrid nanofluid behind a stretching sheet in a variable porous medium is being considered due to its importance.The nature of the fluid is considered time-dependent and the thickness of the liquid film is measured variable adjustable with the variable porous space and favorable for the uniform flow of the liquid film.The solution of the problem is acquired using the homotopy analysis method HAM,and the artificial neural network ANN is applied to obtain detailed information in the form of error estimation and validations using the fitting curve analysis.HAM data is utilized to train the ANN in this study,which uses Cu and TiO_(2)hybrid nanofluids in a variable porous space for unsteady thin film flow,and it is used to train the ANN.The results indicate that Cu and TiO_(2)play a greater role in boosting the rate.展开更多
Ionic polymer-metal composites(IPMCs)constitute a new type of artificial muscle material that is commonly used in bionic soft robots and medical devices because of its small driving voltage and considerable deformatio...Ionic polymer-metal composites(IPMCs)constitute a new type of artificial muscle material that is commonly used in bionic soft robots and medical devices because of its small driving voltage and considerable deformation.However,IPMCs are limited by performance issues such as low output force and small operating time away from water.Silicon dioxide sulfonated graphene(SiO_(2)-SGO)particles are often used to improve the performance of polymer membranes because of their hydrophilicity and high chemical stability.Reported here is the addition of SiO_(2)-SGO particles prepared by in situ hydrolysis to perfluorosulfonic acid in order to improve the IPMC properties.Also,a predictive model was constructed based on a backpropagation neural network,with the SiO_(2)-SGO doping amount and the IPMC excitation voltage in the input layer and the driving displacement in the output layer.The results show that the IPMC prepared with 1.0 wt.%doping content performed the best,with a maximum output displacement of 47.7 mm.The correlation coefficient(R2)was 0.9842 and the mean square error was 0.00037073,which show that the predictive model has high predictive accuracy and is suitable for predicting the performance of the SiO_(2)-SGO-modified IPMC.展开更多
Base on the principle and method of B-P neural network,the prediction model of SO2 concentration in urban atmosphere was established by using the statistical data of a city in southwest China from 1991 to 2009,so as t...Base on the principle and method of B-P neural network,the prediction model of SO2 concentration in urban atmosphere was established by using the statistical data of a city in southwest China from 1991 to 2009,so as to forecast atmospheric SO2 concentration in a city of southwest China.The results showed that B-P neural network applied in the prediction of SO2 concentration in urban atmosphere was reasonable and efficient with high accuracy and wide adaptability,so it was worthy to be popularized.展开更多
In this paper, a study of control for an uncertain2-degree of freedom(DOF) helicopter system is given. The2-DOF helicopter is subject to input deadzone and output constraints. In order to cope with system uncertaintie...In this paper, a study of control for an uncertain2-degree of freedom(DOF) helicopter system is given. The2-DOF helicopter is subject to input deadzone and output constraints. In order to cope with system uncertainties and input deadzone, the neural network technique is introduced because of its capability in approximation. In order to update the weights of the neural network, an adaptive control method is utilized to improve the system adaptability. Furthermore, the integral barrier Lyapunov function(IBLF) is adopt in control design to guarantee the condition of output constraints and boundedness of the corresponding tracking errors. The Lyapunov direct method is applied in the control design to analyze system stability and convergence. Finally, numerical simulations are conducted to prove the feasibility and effectiveness of the proposed control based on the model of Quanser's 2-DOF helicopter.展开更多
Interval type-2 fuzzy neural networks(IT2FNNs)can be seen as the hybridization of interval type-2 fuzzy systems(IT2FSs) and neural networks(NNs). Thus, they naturally inherit the merits of both IT2 FSs and NNs. Althou...Interval type-2 fuzzy neural networks(IT2FNNs)can be seen as the hybridization of interval type-2 fuzzy systems(IT2FSs) and neural networks(NNs). Thus, they naturally inherit the merits of both IT2 FSs and NNs. Although IT2 FNNs have more advantages in processing uncertain, incomplete, or imprecise information compared to their type-1 counterparts, a large number of parameters need to be tuned in the IT2 FNNs,which increases the difficulties of their design. In this paper,big bang-big crunch(BBBC) optimization and particle swarm optimization(PSO) are applied in the parameter optimization for Takagi-Sugeno-Kang(TSK) type IT2 FNNs. The employment of the BBBC and PSO strategies can eliminate the need of backpropagation computation. The computing problem is converted to a simple feed-forward IT2 FNNs learning. The adoption of the BBBC or the PSO will not only simplify the design of the IT2 FNNs, but will also increase identification accuracy when compared with present methods. The proposed optimization based strategies are tested with three types of interval type-2 fuzzy membership functions(IT2FMFs) and deployed on three typical identification models. Simulation results certify the effectiveness of the proposed parameter optimization methods for the IT2 FNNs.展开更多
Research of thermal characteristics has been a key issue in the development of high-speed feed system. Most of the work carried out thus far is based on the principle of directly mapping the thermal error against the ...Research of thermal characteristics has been a key issue in the development of high-speed feed system. Most of the work carried out thus far is based on the principle of directly mapping the thermal error against the temperature of critical machine elements irrespective of the operating conditions. But recent researches show that different sets of operating parameters generated significantly different error values even though the temperature of the machine elements generated was similar. As such, it is important to develop a generic thermal error model which is capable of evaluating the positioning error induced by different operating parameters. This paper ultimately aims at the development of a comprehensive prediction model that can predict the thermal characteristics under different operating conditions （feeding speed, load and preload of ballscrew） in a feed system. A novel wavelet neural network based on feedback linearization autoregressive moving averaging （NARMA-L2） model is introduced to predict the temperature rise of sensitive points and thermal positioning errors considering the different operating conditions as the model inputs. Particle swarm optimization（PSO） algorithm is brought in as the training method. According to ISO230-2 Positioning Accuracy Measurement and ISO230-3 Thermal Effect Evaluation standards, experiments under different operating conditions were carried out on a self-made quasi high-speed feed system experimental bench HUST-FS-001 by using Pt100 as temperature sensor, and the positioning errors were measured by Heidenhain linear grating scale. The experiment results show that the recommended method can be used to predict temperature rise of sensitive points and thermal positioning errors with good accuracy. The work described in this paper lays a solid foundation of thermal error prediction and compensation in a feed system based on varying operating conditions and machine tool characteristics.展开更多
Neural stem cells(NSCs) contribute to ontogeny by producing neurons at the appropriate time and location. Neurogenesis from NSCs is also involved in various biological functions in adults. Thus, NSCs continue to exert...Neural stem cells(NSCs) contribute to ontogeny by producing neurons at the appropriate time and location. Neurogenesis from NSCs is also involved in various biological functions in adults. Thus, NSCs continue to exert their effects throughout the lifespan of the organism. The mechanism regulating the core functional properties of NSCs is governed by intra- and extracellular signals. Among the transcription factors that serve as molecular switches, Sox2 is considered a key factor in NSCs. Sox2 forms a core network with partner factors, thereby functioning as a molecular switch. This review discusses how the network of Sox2 partner and target genes illustrates the molecular characteristics of the mechanism underlying the self-renewal and multipotency of NSCs.展开更多
To overcome the computational burden of processing three-dimensional(3 D)medical scans and the lack of spatial information in two-dimensional(2 D)medical scans,a novel segmentation method was proposed that integrates ...To overcome the computational burden of processing three-dimensional(3 D)medical scans and the lack of spatial information in two-dimensional(2 D)medical scans,a novel segmentation method was proposed that integrates the segmentation results of three densely connected 2 D convolutional neural networks(2 D-CNNs).In order to combine the lowlevel features and high-level features,we added densely connected blocks in the network structure design so that the low-level features will not be missed as the network layer increases during the learning process.Further,in order to resolve the problems of the blurred boundary of the glioma edema area,we superimposed and fused the T2-weighted fluid-attenuated inversion recovery(FLAIR)modal image and the T2-weighted(T2)modal image to enhance the edema section.For the loss function of network training,we improved the cross-entropy loss function to effectively avoid network over-fitting.On the Multimodal Brain Tumor Image Segmentation Challenge(BraTS)datasets,our method achieves dice similarity coefficient values of 0.84,0.82,and 0.83 on the BraTS2018 training;0.82,0.85,and 0.83 on the BraTS2018 validation;and 0.81,0.78,and 0.83 on the BraTS2013 testing in terms of whole tumors,tumor cores,and enhancing cores,respectively.Experimental results showed that the proposed method achieved promising accuracy and fast processing,demonstrating good potential for clinical medicine.展开更多
Intelligent Adaptive Control(AC) has remarkable advantages in the control system design of aero-engine which has strong nonlinearity and uncertainty. Inspired by the Nonlinear Autoregressive Moving Average(NARMA)-L2 a...Intelligent Adaptive Control(AC) has remarkable advantages in the control system design of aero-engine which has strong nonlinearity and uncertainty. Inspired by the Nonlinear Autoregressive Moving Average(NARMA)-L2 adaptive control, a novel Nonlinear State Space Equation(NSSE) based Adaptive neural network Control(NSSE-AC) method is proposed for the turbo-shaft engine control system design. The proposed NSSE model is derived from a special neural network with an extra layer, and the rotor speed of the gas turbine is taken as the main state variable which makes the NSSE model be able to capture the system dynamic better than the NARMA-L2 model. A hybrid Recursive Least-Square and Levenberg-Marquardt(RLS-LM) algorithm is advanced to perform the online learning of the neural network, which further enhances both the accuracy of the NSSE model and the performance of the adaptive controller. The feedback correction is also utilized in the NSSE-AC system to eliminate the steady-state tracking error. Simulation results show that, compared with the NARMA-L2 model, the NSSE model of the turboshaft engine is more accurate. The maximum modeling error is decreased from 5.92% to 0.97%when the LM algorithm is introduced to optimize the neural network parameters. The NSSE-AC method can not only achieve a better main control loop performance than the traditional controller but also limit all the constraint parameters efficiently with quick and accurate switching responses even if component degradation exists. Thus, the effectiveness of the NSSE-AC method is validated.展开更多
In present study, BP neural network model was proposed for the prediction of ultimate compressive strength of Al2O3-ZrO2 ceramic foam filter prepared by centrifugal slip casting. The inputs of the BP neural network mo...In present study, BP neural network model was proposed for the prediction of ultimate compressive strength of Al2O3-ZrO2 ceramic foam filter prepared by centrifugal slip casting. The inputs of the BP neural network model were the applied load on the epispastic polystyrene template （F）, centrifugal acceleration （v） and sintering temperature （T）, while the only output was the ultimate compressive strength （（7）. According to the registered BP model, the effects of F, v, T on 0 were analyzed. The predicted results agree with the actual data within reasonable experimental error, indicating that the BP model is practically a very useful tool in property prediction and process parameter design of the Al2O3-ZrO2 ceramic foam filter prepared by centrifugal slip casting.展开更多
Titanium dioxide （TiO2） nanoparticles were prepared by sol gel route. The preparation parameters were optimized in the removal of 4-nitropbenol （4-NP）. All catalysts were analyzed by X-ray diffraction （XRD） and ...Titanium dioxide （TiO2） nanoparticles were prepared by sol gel route. The preparation parameters were optimized in the removal of 4-nitropbenol （4-NP）. All catalysts were analyzed by X-ray diffraction （XRD） and scanning electron microscopy （SEM）. An artificial neural network model （ANN） was developed to predict the photocatalytic removal of 4-NP in the presence of TiOz nanoparticles prepared under desired conditions. The comparison between the predicted results by designed ANN model and the experimental data proved that modeling of the removal process of 4-NP using artificial neural network was a precise method to predict the extent of 4-NP removal under different conditions.展开更多
基金Sponsored by the National Natural Science Foundation of China (Grant No. 50305005)
文摘Aimed at the problem that the traditional ART-2 neural network can not recognize a gradually changing course, an eternal term memory (ETM) vector is introduced into ART-2 to simulate the function of human brain, i.e. the deep remembrance for the initial impression.. The eternal term memory vector is determined only by the initial vector that establishes category neuron node and is used to keep the remembrance for this vector for ever. Two times of vigilance algorithm are put forward, and the posterior input vector must first pass the first vigilance of this eternal term memory vector, only succeeded has it the qualification to begin the second vigilance of long term memory vector. The long term memory vector can be revised only when both of the vigilances are passed. Results of recognition examples show that the improved ART-2 overcomes the defect of traditional ART-2 and can recognize a gradually changing course effectively.
基金supported by Interdisciplinary Innova-tion Project of“Bioarchaeology Laboratory”of Jilin University,China,and“MedicineþX”Interdisciplinary Innovation Team of Norman Bethune Health Science Center of Jilin University,China(Grant No.:2022JBGS05).
文摘Severe acute respiratory syndrome coronavirus 2(SARS-CoV-2)mutations are influenced by random and uncontrollable factors,and the risk of the next widespread epidemic remains.Dual-target drugs that synergistically act on two targets exhibit strong therapeutic effects and advantages against mutations.In this study,a novel computational workflow was developed to design dual-target SARS-CoV-2 candidate inhibitors with the Envelope protein and Main protease selected as the two target proteins.The drug-like molecules of our self-constructed 3D scaffold database were used as high-throughput molecular docking probes for feature extraction of two target protein pockets.A multi-layer perceptron(MLP)was employed to embed the binding affinities into a latent space as conditional vectors to control conditional distribution.Utilizing a conditional generative neural network,cG-SchNet,with 3D Euclidean group(E3)symmetries,the conditional probability distributions of molecular 3D structures were acquired and a set of novel SARS-CoV-2 dual-target candidate inhibitors were generated.The 1D probability,2D joint probability,and 2D cumulative probability distribution results indicate that the generated sets are significantly enhanced compared to the training set in the high binding affinity area.Among the 201 generated molecules,42 molecules exhibited a sum binding affinity exceeding 17.0 kcal/mol while 9 of them having a sum binding affinity exceeding 19.0 kcal/mol,demonstrating structure diversity along with strong dual-target affinities,good absorption,distribution,metabolism,excretion,and toxicity(ADMET)properties,and ease of synthesis.Dual-target drugs are rare and difficult to find,and our“high-throughput docking-multi-conditional generation”workflow offers a wide range of options for designing or optimizing potent dual-target SARS-CoV-2 inhibitors.
基金Project ZR2023MF111 supported by Shandong Provincial Natural Science Foundation。
文摘With the advancement of Vehicle-to-Everything(V2X)technology,efficient resource allocation in dynamic vehicular networks has become a critical challenge for achieving optimal performance.Existing methods suffer from high computational complexity and decision latency under high-density traffic and heterogeneous network conditions.To address these challenges,this study presents an innovative framework that combines Graph Neural Networks(GNNs)with a Double Deep Q-Network(DDQN),utilizing dynamic graph structures and reinforcement learning.An adaptive neighbor sampling mechanism is introduced to dynamically select the most relevant neighbors based on interference levels and network topology,thereby improving decision accuracy and efficiency.Meanwhile,the framework models communication links as nodes and interference relationships as edges,effectively capturing the direct impact of interference on resource allocation while reducing computational complexity and preserving critical interaction information.Employing an aggregation mechanism based on the Graph Attention Network(GAT),it dynamically adjusts the neighbor sampling scope and performs attention-weighted aggregation based on node importance,ensuring more efficient and adaptive resource management.This design ensures reliable Vehicle-to-Vehicle(V2V)communication while maintaining high Vehicle-to-Infrastructure(V2I)throughput.The framework retains the global feature learning capabilities of GNNs and supports distributed network deployment,allowing vehicles to extract low-dimensional graph embeddings from local observations for real-time resource decisions.Experimental results demonstrate that the proposed method significantly reduces computational overhead,mitigates latency,and improves resource utilization efficiency in vehicular networks under complex traffic scenarios.This research not only provides a novel solution to resource allocation challenges in V2X networks but also advances the application of DDQN in intelligent transportation systems,offering substantial theoretical significance and practical value.
文摘High-entropy alloy(HEA)offer tunable composition and surface structures,enabling the creation of novel active sites that enhance catalytic performance in renewable energy application.However,the inherent surface complexity and tendency for elemental segregation,which results in discrepancies between bulk and surface compositions,pose challenges for direct investigation via density functional theory.To address this,Monte Carlo simulations combined with molecular dynamics were employed to model surface segregation across a broad range of elements,including Cu,Ag,Au,Pt,Pd,and Al.The analysis revealed a trend in surface segregation propensity following the order Ag>Au>Al>Cu>Pd>Pt.To capture the correlation between surface site characteristics and the free energy of multi-dentate CO_(2)reduction intermediates,a graph neural network was designed,where adsorbates were transformed into pseudo-atoms at their centers of mass.This model achieved mean absolute errors of 0.08–0.15 eV for the free energies of C_(2)intermediates,enabling precise site activity quantification.Results indicated that increasing the concentration of Cu,Ag,and Al significantly boosts activity for CO and C_(2)formation,whereas Au,Pd,and Pt exhibit negative effects.By screening stable composition space,promising HEA bulk compositions for CO,HCOOH,and C_(2)products were predicted,offering superior catalytic activity compared to pure Cu catalysts.
基金supported in part by the National Natural Science Foundation of China(61901231)in part by the National Natural Science Foundation of China(61971238)+3 种基金in part by the Natural Science Foundation of Jiangsu Province of China(BK20180757)in part by the open project of the Key Laboratory of Dynamic Cognitive System of Electromagnetic Spectrum Space,Ministry of Industry and Information Technology(KF20202102)in part by the China Postdoctoral Science Foundation under Grant(2020M671480)in part by the Jiangsu Planned Projects for Postdoctoral Research Funds(2020z295).
文摘In this paper,we jointly design the power control and position dispatch for Multi-Unmanned Aerial Vehicle(UAV)-enabled communication in Device-to-Device(D2D)networks.Our objective is to maximize the total transmission rate of Downlink Users(DUs).Meanwhile,the Quality of Service(QoS)of all D2D users must be satisfied.We comprehensively considered the interference among D2D communications and downlink transmissions.The original problem is strongly non-convex,which requires high computational complexity for traditional optimization methods.And to make matters worse,the results are not necessarily globally optimal.In this paper,we propose a novel Graph Neural Networks(GNN)based approach that can map the considered system into a specific graph structure and achieve the optimal solution in a low complexity manner.Particularly,we first construct a GNN-based model for the proposed network,in which the transmission links and interference links are formulated as vertexes and edges,respectively.Then,by taking the channel state information and the coordinates of ground users as the inputs,as well as the location of UAVs and the transmission power of all transmitters as outputs,we obtain the mapping from inputs to outputs through training the parameters of GNN.Simulation results verified that the way to maximize the total transmission rate of DUs can be extracted effectively via the training on samples.Moreover,it also shows that the performance of proposed GNN-based method is better than that of traditional means.
基金This work is funded by National Natural Science Foundation of China(Nos.42202292,42141011)the Program for Jilin University(JLU)Science and Technology Innovative Research Team(No.2019TD-35).The authors would also like to thank the reviewers and editors whose critical comments are very helpful in preparing this article.
文摘To reduce CO_(2) emissions in response to global climate change,shale reservoirs could be ideal candidates for long-term carbon geo-sequestration involving multi-scale transport processes.However,most current CO_(2) sequestration models do not adequately consider multiple transport mechanisms.Moreover,the evaluation of CO_(2) storage processes usually involves laborious and time-consuming numerical simulations unsuitable for practical prediction and decision-making.In this paper,an integrated model involving gas diffusion,adsorption,dissolution,slip flow,and Darcy flow is proposed to accurately characterize CO_(2) storage in depleted shale reservoirs,supporting the establishment of a training database.On this basis,a hybrid physics-informed data-driven neural network(HPDNN)is developed as a deep learning surrogate for prediction and inversion.By incorporating multiple sources of scientific knowledge,the HPDNN can be configured with limited simulation resources,significantly accelerating the forward and inversion processes.Furthermore,the HPDNN can more intelligently predict injection performance,precisely perform reservoir parameter inversion,and reasonably evaluate the CO_(2) storage capacity under complicated scenarios.The validation and test results demonstrate that the HPDNN can ensure high accuracy and strong robustness across an extensive applicability range when dealing with field data with multiple noise sources.This study has tremendous potential to replace traditional modeling tools for predicting and making decisions about CO_(2) storage projects in depleted shale reservoirs.
文摘The high thermal conductivity of the nanoparticles in hybrid nanofluids results in enhanced thermal conductivity associated with their base fluids.Enhanced heat transfer is a result of this high thermal conductivity,which has significant applications in heat exchangers and engineering devices.To optimize heat transfer,a liquid film of Cu and TiO_(2)hybrid nanofluid behind a stretching sheet in a variable porous medium is being considered due to its importance.The nature of the fluid is considered time-dependent and the thickness of the liquid film is measured variable adjustable with the variable porous space and favorable for the uniform flow of the liquid film.The solution of the problem is acquired using the homotopy analysis method HAM,and the artificial neural network ANN is applied to obtain detailed information in the form of error estimation and validations using the fitting curve analysis.HAM data is utilized to train the ANN in this study,which uses Cu and TiO_(2)hybrid nanofluids in a variable porous space for unsteady thin film flow,and it is used to train the ANN.The results indicate that Cu and TiO_(2)play a greater role in boosting the rate.
基金funded by the Digital workshop dynamic Reconstruction modeling Technology(Grant No.2020YFB1710701)the National Natural Science Foundation of China(Grant No.52172099)the Provincial Joint Fund of Shaanxi(Grant No.2021JLM-28).
文摘Ionic polymer-metal composites(IPMCs)constitute a new type of artificial muscle material that is commonly used in bionic soft robots and medical devices because of its small driving voltage and considerable deformation.However,IPMCs are limited by performance issues such as low output force and small operating time away from water.Silicon dioxide sulfonated graphene(SiO_(2)-SGO)particles are often used to improve the performance of polymer membranes because of their hydrophilicity and high chemical stability.Reported here is the addition of SiO_(2)-SGO particles prepared by in situ hydrolysis to perfluorosulfonic acid in order to improve the IPMC properties.Also,a predictive model was constructed based on a backpropagation neural network,with the SiO_(2)-SGO doping amount and the IPMC excitation voltage in the input layer and the driving displacement in the output layer.The results show that the IPMC prepared with 1.0 wt.%doping content performed the best,with a maximum output displacement of 47.7 mm.The correlation coefficient(R2)was 0.9842 and the mean square error was 0.00037073,which show that the predictive model has high predictive accuracy and is suitable for predicting the performance of the SiO_(2)-SGO-modified IPMC.
文摘Base on the principle and method of B-P neural network,the prediction model of SO2 concentration in urban atmosphere was established by using the statistical data of a city in southwest China from 1991 to 2009,so as to forecast atmospheric SO2 concentration in a city of southwest China.The results showed that B-P neural network applied in the prediction of SO2 concentration in urban atmosphere was reasonable and efficient with high accuracy and wide adaptability,so it was worthy to be popularized.
基金supported by the National Natural Science Foundation of China(61803085,61806052,U1713209)the Natural Science Foundation of Jiangsu Province of China(BK20180361)
文摘In this paper, a study of control for an uncertain2-degree of freedom(DOF) helicopter system is given. The2-DOF helicopter is subject to input deadzone and output constraints. In order to cope with system uncertainties and input deadzone, the neural network technique is introduced because of its capability in approximation. In order to update the weights of the neural network, an adaptive control method is utilized to improve the system adaptability. Furthermore, the integral barrier Lyapunov function(IBLF) is adopt in control design to guarantee the condition of output constraints and boundedness of the corresponding tracking errors. The Lyapunov direct method is applied in the control design to analyze system stability and convergence. Finally, numerical simulations are conducted to prove the feasibility and effectiveness of the proposed control based on the model of Quanser's 2-DOF helicopter.
基金supported by the National Natural Science Foundation of China (61873079,51707050)
文摘Interval type-2 fuzzy neural networks(IT2FNNs)can be seen as the hybridization of interval type-2 fuzzy systems(IT2FSs) and neural networks(NNs). Thus, they naturally inherit the merits of both IT2 FSs and NNs. Although IT2 FNNs have more advantages in processing uncertain, incomplete, or imprecise information compared to their type-1 counterparts, a large number of parameters need to be tuned in the IT2 FNNs,which increases the difficulties of their design. In this paper,big bang-big crunch(BBBC) optimization and particle swarm optimization(PSO) are applied in the parameter optimization for Takagi-Sugeno-Kang(TSK) type IT2 FNNs. The employment of the BBBC and PSO strategies can eliminate the need of backpropagation computation. The computing problem is converted to a simple feed-forward IT2 FNNs learning. The adoption of the BBBC or the PSO will not only simplify the design of the IT2 FNNs, but will also increase identification accuracy when compared with present methods. The proposed optimization based strategies are tested with three types of interval type-2 fuzzy membership functions(IT2FMFs) and deployed on three typical identification models. Simulation results certify the effectiveness of the proposed parameter optimization methods for the IT2 FNNs.
基金supported by National Key Basic Research Program of China(973Program,Grant No.2005CB724100,Grant No.2011CB706803)National Natural Science Foundation of China(Grant No.50675076,Grant No.50575087,Grant No.51075161)National Hi-tech Research and Development Program of China(863Program,Grant No.2008AA042802)
文摘Research of thermal characteristics has been a key issue in the development of high-speed feed system. Most of the work carried out thus far is based on the principle of directly mapping the thermal error against the temperature of critical machine elements irrespective of the operating conditions. But recent researches show that different sets of operating parameters generated significantly different error values even though the temperature of the machine elements generated was similar. As such, it is important to develop a generic thermal error model which is capable of evaluating the positioning error induced by different operating parameters. This paper ultimately aims at the development of a comprehensive prediction model that can predict the thermal characteristics under different operating conditions （feeding speed, load and preload of ballscrew） in a feed system. A novel wavelet neural network based on feedback linearization autoregressive moving averaging （NARMA-L2） model is introduced to predict the temperature rise of sensitive points and thermal positioning errors considering the different operating conditions as the model inputs. Particle swarm optimization（PSO） algorithm is brought in as the training method. According to ISO230-2 Positioning Accuracy Measurement and ISO230-3 Thermal Effect Evaluation standards, experiments under different operating conditions were carried out on a self-made quasi high-speed feed system experimental bench HUST-FS-001 by using Pt100 as temperature sensor, and the positioning errors were measured by Heidenhain linear grating scale. The experiment results show that the recommended method can be used to predict temperature rise of sensitive points and thermal positioning errors with good accuracy. The work described in this paper lays a solid foundation of thermal error prediction and compensation in a feed system based on varying operating conditions and machine tool characteristics.
基金Supported by The Nagasaki ken Medical Association
文摘Neural stem cells(NSCs) contribute to ontogeny by producing neurons at the appropriate time and location. Neurogenesis from NSCs is also involved in various biological functions in adults. Thus, NSCs continue to exert their effects throughout the lifespan of the organism. The mechanism regulating the core functional properties of NSCs is governed by intra- and extracellular signals. Among the transcription factors that serve as molecular switches, Sox2 is considered a key factor in NSCs. Sox2 forms a core network with partner factors, thereby functioning as a molecular switch. This review discusses how the network of Sox2 partner and target genes illustrates the molecular characteristics of the mechanism underlying the self-renewal and multipotency of NSCs.
基金the National Natural Science Foundation of China(No.81830052)the Shanghai Natural Science Foundation of China(No.20ZR1438300)the Shanghai Science and Technology Support Project(No.18441900500),China。
文摘To overcome the computational burden of processing three-dimensional(3 D)medical scans and the lack of spatial information in two-dimensional(2 D)medical scans,a novel segmentation method was proposed that integrates the segmentation results of three densely connected 2 D convolutional neural networks(2 D-CNNs).In order to combine the lowlevel features and high-level features,we added densely connected blocks in the network structure design so that the low-level features will not be missed as the network layer increases during the learning process.Further,in order to resolve the problems of the blurred boundary of the glioma edema area,we superimposed and fused the T2-weighted fluid-attenuated inversion recovery(FLAIR)modal image and the T2-weighted(T2)modal image to enhance the edema section.For the loss function of network training,we improved the cross-entropy loss function to effectively avoid network over-fitting.On the Multimodal Brain Tumor Image Segmentation Challenge(BraTS)datasets,our method achieves dice similarity coefficient values of 0.84,0.82,and 0.83 on the BraTS2018 training;0.82,0.85,and 0.83 on the BraTS2018 validation;and 0.81,0.78,and 0.83 on the BraTS2013 testing in terms of whole tumors,tumor cores,and enhancing cores,respectively.Experimental results showed that the proposed method achieved promising accuracy and fast processing,demonstrating good potential for clinical medicine.
基金co-supported by the National Science and Technology Major Project, China (No. J2019-Ⅰ-0010-0010)the Project funded by China Postdoctoral Science Foundation (No. 2021M701692)+3 种基金the Fundamental Research Funds for the Central Universities, China (No. NS2022029)the Postgraduate Research & Practice Innovation Program of NUAA, China (No. xcxjh20220206)the National Natural Science Foundation of China (No. 51976089)Jiangsu Funding Program for Excellent Postdoctoral Talent, China (No. 2022ZB202)。
文摘Intelligent Adaptive Control(AC) has remarkable advantages in the control system design of aero-engine which has strong nonlinearity and uncertainty. Inspired by the Nonlinear Autoregressive Moving Average(NARMA)-L2 adaptive control, a novel Nonlinear State Space Equation(NSSE) based Adaptive neural network Control(NSSE-AC) method is proposed for the turbo-shaft engine control system design. The proposed NSSE model is derived from a special neural network with an extra layer, and the rotor speed of the gas turbine is taken as the main state variable which makes the NSSE model be able to capture the system dynamic better than the NARMA-L2 model. A hybrid Recursive Least-Square and Levenberg-Marquardt(RLS-LM) algorithm is advanced to perform the online learning of the neural network, which further enhances both the accuracy of the NSSE model and the performance of the adaptive controller. The feedback correction is also utilized in the NSSE-AC system to eliminate the steady-state tracking error. Simulation results show that, compared with the NARMA-L2 model, the NSSE model of the turboshaft engine is more accurate. The maximum modeling error is decreased from 5.92% to 0.97%when the LM algorithm is introduced to optimize the neural network parameters. The NSSE-AC method can not only achieve a better main control loop performance than the traditional controller but also limit all the constraint parameters efficiently with quick and accurate switching responses even if component degradation exists. Thus, the effectiveness of the NSSE-AC method is validated.
基金financially supported by the Innovation Research Team Program of the Ministry of Education(IRT0713)the Key Laboratory of New Materials in Automobile of Liaoning Province(grant No.201016201)Doctoral Initiating Project of Liaoning Province Foundation for Natural Sciences,China
文摘In present study, BP neural network model was proposed for the prediction of ultimate compressive strength of Al2O3-ZrO2 ceramic foam filter prepared by centrifugal slip casting. The inputs of the BP neural network model were the applied load on the epispastic polystyrene template （F）, centrifugal acceleration （v） and sintering temperature （T）, while the only output was the ultimate compressive strength （（7）. According to the registered BP model, the effects of F, v, T on 0 were analyzed. The predicted results agree with the actual data within reasonable experimental error, indicating that the BP model is practically a very useful tool in property prediction and process parameter design of the Al2O3-ZrO2 ceramic foam filter prepared by centrifugal slip casting.
文摘Titanium dioxide （TiO2） nanoparticles were prepared by sol gel route. The preparation parameters were optimized in the removal of 4-nitropbenol （4-NP）. All catalysts were analyzed by X-ray diffraction （XRD） and scanning electron microscopy （SEM）. An artificial neural network model （ANN） was developed to predict the photocatalytic removal of 4-NP in the presence of TiOz nanoparticles prepared under desired conditions. The comparison between the predicted results by designed ANN model and the experimental data proved that modeling of the removal process of 4-NP using artificial neural network was a precise method to predict the extent of 4-NP removal under different conditions.
