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Hybrid modelling incorporating reaction and mechanistic data for accelerating the development of isooctanol oxidation
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作者 Xin Zhou ce liu +9 位作者 Zhibo Zhang Xinrui Song Haiyan Luo Weitao Zhang Lianying Wu Hui Zhao Yibin liu Xiaobo Chen Hao Yan Chaohe Yang 《Chinese Journal of Chemical Engineering》 2025年第4期166-183,共18页
Alcohol oxidation is a widely used green chemical reaction.The reaction process produces flammable and explosive hydrogen,so the design of the reactor must meet stringent safety requirements.Based on the limited exper... Alcohol oxidation is a widely used green chemical reaction.The reaction process produces flammable and explosive hydrogen,so the design of the reactor must meet stringent safety requirements.Based on the limited experimental data,utilizing the traditional numerical method of computational fluid dynamics(CFD)to simulate the gas-liquid two-phase flow reactor can mitigate the risk of danger under varying working conditions.However,the calculation process is highly time-consuming.Therefore,by integrating process simulation,computational fluid dynamics,and deep learning technologies,an intelligent hybrid chemical model based on machine learning was proposed to expedite CFD calculations,enhance the prediction of flow fields,conversion rates,and concentrations inside the reactor,and offer insights for designing and optimizing the reactor for the alcohol oxidation system.The results show that the hybrid model based on the long and short-term memory neural network achieves 99.8%accuracy in conversion rate prediction and 99.9%accuracy in product concentration prediction.Through validation,the hybrid model is accelerated by about 360 times compared with instrumental analysis in conversion rate prediction and about 45 times compared with CFD calculation in concentration distribution prediction.This hybrid model can quickly predict the conversion rate and product concentration distribution in the gas-liquid two-phase flow reactor and provide a model reference for fast prediction and accurate control in the actual chemical production process. 展开更多
关键词 Hybrid modelling Numerical simulation Deep learning Soft measurements Computational acceleration
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Sandstorm-driven Particulate Matter Exposure and Elevated COPD Hospitalization Risk in Arid Regions of China:A Spatiotemporal Epidemiological Analysis
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作者 Hao Zhao ce liu +9 位作者 Erkai Zhou Baofeng Zhou Sheng Li Li He Zhaoru Yang Jiabei Jian Huan Chen Huanhuan Wei Rongrong Cao Bin Luo 《Biomedical and Environmental Sciences》 2025年第11期1404-1416,共13页
Objective Chronic obstructive pulmonary disease(COPD)is a major health concern in northwest China;however,the impact of particulate matter(PM)exposure during sand-dust storms(SDS)remains poorly understood.Therefore,th... Objective Chronic obstructive pulmonary disease(COPD)is a major health concern in northwest China;however,the impact of particulate matter(PM)exposure during sand-dust storms(SDS)remains poorly understood.Therefore,this study aimed to investigate the association between PM exposure on SDS days and COPD hospitalization risk in arid regions.Methods Data on daily COPD hospitalizations were collected from 323 hospitals from 2018 to 2022,along with the corresponding air pollutant and meteorological data for each city in Gansu Province.Employing a space-time-stratified case-crossover design and conditional Poisson regression,we analyzed 265,379 COPD hospitalizations.Results PM exposure during SDS days significantly increased COPD hospitalization risk[relative risk(RR)for PM2.5,lag 3:1.028,95%confidence interval(CI):1.021–1.034],particularly among men and the elderly,and during the cold season.The burden of PM exposure on COPD hospitalization was substantially high in Northwest China,especially in the arid and semi-arid regions.Conclusion Our findings revealed a positive correlation between PM exposure during SDS episodes and elevated hospitalization rates for COPD in arid and semi-arid zones in China.This highlights the urgency of developing region-specific public health strategies to address adverse respiratory outcomes associated with SDS-related air quality deterioration. 展开更多
关键词 Sand-dust storms Particulate matter Chronic obstructive pulmonary disease HOSPITALIZATION Disease burden.
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Effect of microstructure inhomogeneity on mechanical properties of different zones in TA15 electron beam welded joints 被引量:5
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作者 Cai-yan DENG ce liu +3 位作者 Bao-ming GONG Cheng-ze ZHANG Chang liu Yong liu 《Transactions of Nonferrous Metals Society of China》 SCIE EI CAS CSCD 2020年第3期678-687,共10页
The effects of microstructure inhomogeneity on the mechanical properties of different zones in TA15 electron beam welded joints were investigated using a micromechanics-based finite element method.Considering the inde... The effects of microstructure inhomogeneity on the mechanical properties of different zones in TA15 electron beam welded joints were investigated using a micromechanics-based finite element method.Considering the indentation size effect,the mechanical properties for constituent phases of the base metal(BM) and heat affected zone(HAZ) were determined by the instrumented nano-indentation test.The macroscopic mechanical properties of BM and HAZ obtained from the tensile test agree well with the numerical results.The incompatible deformation between the constituent phases tends to localize along the softer primary phase a where failure usually initiates in form of localized plastic strain.Compared with the BM,the mechanical properties of constituent phases in the HAZ differ substantially,leading to more serious strain localization behavior. 展开更多
关键词 microstructure inhomogeneity strain localization electron beam welding titanium alloy finite element analysis
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Topology optimization of turbine disk considering maximum stress prediction and constraints 被引量:3
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作者 Cheng YAN ce liu +2 位作者 Han DU Cunfu WANG Zeyong YIN 《Chinese Journal of Aeronautics》 SCIE EI CAS CSCD 2023年第8期182-206,共25页
For the stress-constrained topology optimization of a turbine disk under centrifugal loads,the jagged boundaries of the mesh and the gray densities on the solid/void interfaces could make the calculated stress field i... For the stress-constrained topology optimization of a turbine disk under centrifugal loads,the jagged boundaries of the mesh and the gray densities on the solid/void interfaces could make the calculated stress field inconsistent with the actual value.It may result in overestimating the maximum stress and thus affect the effectiveness of stress constraints.This paper proposes a new method for predicting the maximum stress to overcome the difficulty.In the process,a predicted density is newly defined to obtain stable boundaries with thin layers of gray elements,a transition factor is innovatively proposed to evaluate the effects of intermediate-density elements,two different stiffness penalty schemes are flexibly used to calculate the elastic modulus of elements,and a linear stress penalty is further adopted to relax the stress field of the structure.The proposed approach for predicting the maximum stress value is verified by the analysis of a structure with smooth boundaries and the topology optimization of a turbine disk.An updating scheme of the stress constraint in the topology optimization is also developed using the predicted maximum stress.Some key ingredients affecting the optimization results are discussed in detail.The results prove the effectiveness and efficacy of the proposed maximum stress prediction and developed stress constraint methods. 展开更多
关键词 Centrifugal loads Maximum stress prediction Stress constraints Topology optimization Turbinedisk
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Selenium,Type-2 Diabetes,and the Possible Protective Role of Vitamin D
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作者 Runxue Ma ce liu +7 位作者 Ling Zhang Jingzhe Guo Erkai Zhou Ling Zheng Li He Xiaobing Shan Yunhui Yu Bin Luo 《Biomedical and Environmental Sciences》 SCIE CAS CSCD 2024年第6期661-665,共5页
Diabetes is a pervasive and serious global health issue.According to the International Diabetes Federation report,463 million adults worldwide were living with diabetes in 2019,and this number is projected to reach 70... Diabetes is a pervasive and serious global health issue.According to the International Diabetes Federation report,463 million adults worldwide were living with diabetes in 2019,and this number is projected to reach 700 million in 2045^([1]). 展开更多
关键词 DIABETES SELENIUM VITAMIN
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Investigation of Effects of Large Dielectric Constants on Triaxial Induction Logs
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作者 Zhijuan Zhang Boyuan Yu ce liu 《Applied Mathematics》 2012年第11期1811-1817,共7页
The dielectric effect is receiving increasing interest in the study of resistivity logging. Several recent findings have proven that the dielectric effect can cause negative imaginary signals on the array induction lo... The dielectric effect is receiving increasing interest in the study of resistivity logging. Several recent findings have proven that the dielectric effect can cause negative imaginary signals on the array induction logging. However, very few researches discuss the dielectric effect on the triaxial induction logging which is a novel technology in solving anisotropy problem. In this paper, we investigate the effect of large dielectric constants on a basic triaxial induction tool in a 1-D homogenous earth formation. The simulation model is derived from Maxwell equation and calculated by wave number integration. Sufficient simulations have been done. We performed an asymptotic analysis of the dielectric effect within the low-freq limit, yielding interesting observations on the dielectric effect with respect to frequency, spacing, and anisotropy. Those findings provide important and useful guidance for researchers to study on the dielectric effect on the triaxial induction logging. 展开更多
关键词 RESISTIVITY DIELECTRIC Simulation INTERPRETATION
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Mechanism regulation over dual-atom catalyst enables high-performance oxidative alcohol esterification
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作者 ce liu Teng Li +3 位作者 Xingchao Dai Jian Zhao Liping Zhang Xinjiang Cui 《Science Bulletin》 2025年第1期78-89,共12页
The development of heterogeneous catalysts with well-defined uniform isolated or multiple active sites is of great importance for understanding catalytic performances and studying reaction mechanisms.Herein,we present... The development of heterogeneous catalysts with well-defined uniform isolated or multiple active sites is of great importance for understanding catalytic performances and studying reaction mechanisms.Herein,we present a CoCu dual-atom catalyst(CoCu-DAC)where bonded Co-Cu dual-atom sites are embedded in N-doped carbon matrix with a well-defined Co(OH)CuN_(6)structure.The CoCu-DAC exhibits higher catalytic activity and selectivity than the Co single-atom catalyst(Co-SAC)and Cu single-atom catalyst(CuSAC)counterparts in the catalytic oxidative esterification of alcohols and a variety of methyl and alkyl esters have been successfully synthesized.Kinetic studies reveal that the activation energy(29.7 kJ mol^(-1))over CoCu-DAC is much lower than that over Co-SAC(38.4 kJ mol^(-1))and density functional theory(DFT)studies disclose that two different mechanisms are regulated over CoCu-DAC and Co-SAC/Cu-SAC in three-step esterification of alcohols.The bonded Co-Cu and adjacent N species efficiently catalyze the elementary reactions of alcohol dehydrogenation,O2activation and ester formation,respectively.The stepwise alkoxy pathway(O-H and C-H scissions)is preferred for both alcohol dehydrogenation and ester formation over CoCu-DAC,while the progressive hydroxylalkyl pathway(C-H and O-H scissions)for alcohol dehydrogenation and simultaneous hemiacetal dehydrogenation are favored over Co-SAC and Cu-SAC.Characteristic peaks in the Fourier transform infrared spectroscopy analysis may confirm the formation of the metal-C intermediate and the hydroxylalkyl pathway over Co-SAC. 展开更多
关键词 Dual-atom catalysts Oxidative esterification Mechanism regulation ALCOHOL
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Unveiling the Hidden Threat:Per-and Polyfluoroalkyl Substance Pollution’s Distinct Traits and Crucial Impacts on Lung Function in Chinese Plateau Populations
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作者 Li He ce liu +5 位作者 Hao Zhao Zhaoru Yang Erkai Zhou Huan Chen Huanhuan Wei Bin Luo 《Environment & Health》 2025年第6期605-615,共11页
The plateau region is conventionally regarded as a“clean land”with minimal environmental pollution,leading to scarce research on the distribution of emerging pollutants such as per-and polyfluoroalkyl substances(PFA... The plateau region is conventionally regarded as a“clean land”with minimal environmental pollution,leading to scarce research on the distribution of emerging pollutants such as per-and polyfluoroalkyl substances(PFAS)and their effects on the health of plateau inhabitants.To understand that,we studied participants from two representative towns in Gannan Tibetan Autonomous Prefecture,Gansu Province,China.Lung function parameters(FVC%,FEV1%,and FEV1/FVC)were measured,while PFAS concentrations in urine and indoor dust were analyzed using liquid chromatography-tandem mass spectrometry(LC-MS/MS).We measured the levels of 8-hydroxy-2′-deoxyguanosine(8-OHdG),8-epiprostaglandin F2α(8-epi-PGF2α),and malondialdehyde(MDA)in urine.The results demonstrated a preponderance of short-chain PFAS in urine,with PFBS,PFPeA,and PFBA showing the highest detection rates.PFBA had the highest median concentration at 0.47 ng/mL.Similarly,in indoor dust,PFBA was the most frequently detected,followed by PFOA,with median concentrations of 0.56 and 0.44 ng/g,respectively.Multiple PFAS compounds showed significant inverse correlations with FVC%and FEV1%.PFAS exposure was associated with elevated oxidative stress biomarker levels(8-OHdG,8-epi-PGF2α,and MDA),and their synergistic interaction aggravated the decline in lung function.This research provides valuable evidence of PFAS exposure patterns in the plateau population,highlighting the dominance of short-chain PFAS compounds and the concerning link between PFAS exposure and impaired lung function. 展开更多
关键词 PFAS plateau lung function oxidative stress environmental pollution
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Understanding taxi drivers' routing choices from spatial and social traces
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作者 Siyuan liu Shuhui WANG +1 位作者 ce liu Ramayya KRISHNAN 《Frontiers of Computer Science》 SCIE EI CSCD 2015年第2期200-209,共10页
Most of our learning comes from other people or from our own experience. For instance, when a taxi driver is seeking passengers on an unknown road in a large city, what should the driver do? Alternatives include crui... Most of our learning comes from other people or from our own experience. For instance, when a taxi driver is seeking passengers on an unknown road in a large city, what should the driver do? Alternatives include cruising around the road or waiting for a time period at the roadside in the hopes of finding a passenger or just leaving for another road enroute to a destination he knows (e.g., hotel taxi rank)? This is an interesting problem that arises everyday in cities all over the world. There could be different answers to the question poised above, but one fundamental problem is how the driver learns about the likelihood of finding passengers on a road that is new to him (as he has not picked up or dropped off passengers there before). Our observation from large scale taxi driver trace data is that a driver not only learns from his own experience but through interactions with other drivers. In this paper, we first formally define this problem as socialized information learning (SIL), second we propose a framework including a series of models to study how a taxi driver gathers and learns information in an uncertain environment through the use of his social network. Finally, the large scale real life data and empirical experiments confirm that our models are much more effective, efficient and scalable that prior work on this problem. 展开更多
关键词 routing choices socialized information learn-ing social network
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Development of automatic wheat seeding quantity control system based on Doppler radar speed measurement 被引量:1
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作者 Weiwei Wang Wenbing Shi +3 位作者 ce liu Yuwei Wang Lu liu Liqing Chen 《Artificial Intelligence in Agriculture》 2025年第1期12-25,共14页
With advancements in agricultural technology,the full mechanization of rice straw wheat planting has been achieved.However,issues such as missed seeding,uneven row spacing,and poor uniformity of row replenishment ofte... With advancements in agricultural technology,the full mechanization of rice straw wheat planting has been achieved.However,issues such as missed seeding,uneven row spacing,and poor uniformity of row replenishment often arise due to wheel slippage in wheeled wheat seeders.These problems manual replanting after emergence,reducing efficiency and increasing labor costs.To address these challenges,a speed-adaptive wheat seeding control system based on speed radar was developed.This system comprises a pneumatic wheat seeding device,an automatic speed-following control system,a human-machine interface,and a stepper motor.Leveraging an embedded controller,the system dynamically adjusts motor speed based on real-time forward speed to ensure precise seeding.Using fuzzy PID control,the system dynamically adjusts motor speed,achieving row spacing consistency below 3.9%and seeding stability within 1.3%,even at varying speeds.This system addresses critical challenges in precision agriculture,enhancing planting efficiency and reducing labor costs.This innovation enhances planting efficiency,reduces labor costs,and ensures adaptability to varying tractor speeds,meeting the precision requirements of wheat planting. 展开更多
关键词 Speed-dependent control Precision seeding Control system Wheat seeder Fuzzy PID control
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Porous polymer-supported palladium catalyst for highly selective catalysis of cycloalkane carbonyl esterification
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作者 Mingqin Guo ce liu +3 位作者 Hangkong Yuan Xunxun Li Delong Han Xinjiang Cui 《Science China Chemistry》 2025年第12期6753-6761,共9页
Direct synthesis of high-value-added chemicals from low-carbon molecules is of great research importance.The C(sp^(3))–H bonds in alkanes exhibit a high bond dissociation energy and a very low polarity;consequently,a... Direct synthesis of high-value-added chemicals from low-carbon molecules is of great research importance.The C(sp^(3))–H bonds in alkanes exhibit a high bond dissociation energy and a very low polarity;consequently,achieving highly selective synthesis of esters through alkoxy carbonylation in heterogeneous catalysis is a particularly challenging process.Herein,we describe the immobilization of a single-atom palladium catalyst supported by porous organic polymers for highly selective ester formation in cycloalkane carbonylation,which achieves a selectivity as high as 82% and a benzyl alcohol conversion of up to 96%.Various catalytic characterization methods,including XRD,XPS,TEM,SEM,and FTIR,indicate that palladium species are uniformly distributed in the polymer.This work suggests a promising method for the design of hybrid catalytic systems and offers meaningful insights into the development of bifunctional catalysts for selective alkoxy carbonylation. 展开更多
关键词 porous polymer catalyst CYCLOALKANE carbon monoxide carbonyl esterification
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PM_(2.5) and its chemical components interact with hypoxia to increase the risk of hospitalization for peripheral arterial disease
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作者 Li He ce liu +8 位作者 Baofeng Zhou Hao Zhao Zhaoru Yang Erkai Zhou Huan Chen Huanhuan Wei Ququmo Guoji Yuxin He Bin Luo 《Eco-Environment & Health》 2026年第1期118-127,共10页
This study investigated the combined effects of fine particulate matter(PM_(2.5))exposure and ambient oxygen(O_(2))availability on peripheral artery disease(PAD)hospitalizations in Gansu Province,China,from 2018 to 20... This study investigated the combined effects of fine particulate matter(PM_(2.5))exposure and ambient oxygen(O_(2))availability on peripheral artery disease(PAD)hospitalizations in Gansu Province,China,from 2018 to 2022(N=38,514).A time-series case-crossover design with conditional logistic regression assessed short-term exposure to daily PM_(2.5) and its major chemical components(black carbon[BC],organic carbon[OC],sulfate[SO_(4)^(2-)],nitrate[NO_(3)^(-)],ammonium[NH_(4)^(+)],and chloride[Cl^(-)]).Atmospheric O_(2) levels were estimated based on altitude,temperature,and humidity.Short-term exposure to PM_(2.5) was associated with an increased risk of PAD hospitalization,notably at lag 1(odds ratio[OR]=1.003;95% confidence interval[CI]:1.002-1.004).Carbonaceous pollutants exhibited delayed effects,with peak associations at lag 6 for BC(OR=1.069;95%CI:1.035-1.105)and OC(OR=1.028;95%CI:1.011-1.050),per 1μg/m^(3) increase.Secondary inorganic aerosols showed acute effects at lag 1:Cl-(OR=1.107;95%CI:1.063-1.150),NH_(4)^(+)(OR=1.040;95%CI:1.022-1.060),SO_(4)^(2-)(OR=1.025;95%CI:1.015-1.036),and NO3-(OR=1.030;95%CI:1.018-1.042),per 1μg/m3 increase.Nonlinear exposure-response curves revealed a stronger PAD risk under lower O_(2) conditions(<18%).The PM_(2.5)-related risk was amplified in high-altitude residents(>1500 m),older adults(>60 years),females,emergency admissions,and during the cold season.These findings suggest that ambient PM_(2.5) and lower O_(2) levels interact synergistically to elevate PAD hospitalization risk,emphasizing the urgent need for region-specific air quality controls and targeted health protection strategies. 展开更多
关键词 Peripheral arterial disease PM_(2.5) Chemical components Atmospheric oxygen concentrations Altitude
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Avian influenza and gut microbiome in poultry and humans:A“One Health”perspective 被引量:1
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作者 Ling Zhang Erkai Zhou +4 位作者 ce liu Xiaoyu Tian Baode Xue Kai Zhang Bin Luo 《Fundamental Research》 CAS CSCD 2024年第3期455-462,共8页
A gradual increase in avian influenza outbreaks has been found in recent years.It is highly possible to trigger the next human pandemic due to the characteristics of antigenic drift and antigenic shift in avian influe... A gradual increase in avian influenza outbreaks has been found in recent years.It is highly possible to trigger the next human pandemic due to the characteristics of antigenic drift and antigenic shift in avian influenza virus(AIV).Although great improvements in understanding influenza viruses and the associated diseases have been unraveled,our knowledge of how these viruses impact the gut microbiome of both poultry and humans,as well as the underlying mechanisms,is still improving.The“One Health”approach shows better vitality in monitoring and mitigating the risk of avian influenza,which requires a multi-sectoral effort and highlights the interconnection of human health with environmental sustainability and animal health.Therefore,monitoring the gut microbiome may serve as a sentinel for protecting the common health of the environment,animals,and humans.This review summarizes the interactions between AIV infection and the gut microbiome of poultry and humans and their potential mechanisms.With the presented suggestions,we hope to address the current major challenges in the surveillance and prevention of microbiome-related avian influenza with the“One Health”approach. 展开更多
关键词 Avian influenza AIV POULTRY Gutmicrobiome One Health Poultry-Environment-Human INTERFACE
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Recognition of tea buds based on an improved YOLOv7 model
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作者 Mengxue Song ce liu +3 位作者 Liqing Chen Lichao liu Jingming Ning Chuanyang Yu 《International Journal of Agricultural and Biological Engineering》 2024年第6期238-244,共7页
The traditional recognition algorithm is prone to miss detection targets in the complex tea garden environment,and it is difficult to satisfy the requirement for tea bud recognition accuracy and efficiency.In this stu... The traditional recognition algorithm is prone to miss detection targets in the complex tea garden environment,and it is difficult to satisfy the requirement for tea bud recognition accuracy and efficiency.In this study,the YOLOv7 model was developed to improve tea bud recognition accuracy for some extreme tea garden scenarios.In the improved model,a lightweight MobileNetV3 network is adopted to replace the original backbone network,which reduces the size of the model and improves detection efficiency.The convolutional block attention module is introduced to enhance the attention to the features of small and occluded tea buds,suppressing the interference of the complex tea garden environment on tea bud recognition and strengthening the feature extraction capability of the recognition model.Moreover,to further improve recognition accuracy for dense and occlusive scenarios,the soft non-maximum suppression strategy is integrated into the recognition model.Experimental results show that the improved YOLOv7 model has the precision,recall,and mean average precision(mAP)values of 88.3%,87.4%,and 88.5%,respectively.Compared with the Faster R-CNN,SSD,and original YOLOv7 algorithms,the mAP of the improved YOLOv7 model is increased by 7.4,7.9,and 3.9 percentage points,respectively,and its recognition speed is also promoted by 94.9%,46.2%,and 16.9%.The proposed model can rapidly and accurately identify the tea buds in multiple complex tea garden scenarios-such as dense distribution,being close to the background color,and mutual occlusion-with high generalization and robustness,which can provide theoretical and technical support for the recognition of tea-picking robots. 展开更多
关键词 tea bud recognition YOLOv7 lightweight MobileNetV3 network CBAM
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