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Second-order correlated interference with multi-wavelength thermal-light beams
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作者 De-Sheng Wang Yi-Ning Zhao +5 位作者 Lingxin Kong Su-Heng Zhang Chong Wang Cheng Ren Yuehua Su De-Zhong Cao 《Chinese Physics B》 2026年第2期374-382,共9页
A method for correlating thermal light over a wide spectral range is proposed.A multi-wavelength pseudothermal source,prepared by projecting laser beams of multiple wavelengths(650 nm,635 nm,532 nm,and 473 nm)onto a m... A method for correlating thermal light over a wide spectral range is proposed.A multi-wavelength pseudothermal source,prepared by projecting laser beams of multiple wavelengths(650 nm,635 nm,532 nm,and 473 nm)onto a moving thin ground glass plate,is employed in a double-slit interference experiment.The ground glass plate induces random phase differences between light beams of different wavelengths passing through it.This initial random phase difference significantly influences the high-order intensity correlation functions of multi-wavelength thermal beams.Experimentally,second-order correlated interference patterns,including subwavelength interference,of pseudothermal beams with different wavelengths are observed in the intensity correlation measurements.This method facilitates applications of correlated thermal photons in quantum information processing and quantum imaging. 展开更多
关键词 correlated interference multi-wavelength thermal light second-order correlation function
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A Fine-Grained RecognitionModel based on Discriminative Region Localization and Efficient Second-Order Feature Encoding
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作者 Xiaorui Zhang Yingying Wang +3 位作者 Wei Sun Shiyu Zhou Haoming Zhang Pengpai Wang 《Computers, Materials & Continua》 2026年第4期946-965,共20页
Discriminative region localization and efficient feature encoding are crucial for fine-grained object recognition.However,existing data augmentation methods struggle to accurately locate discriminative regions in comp... Discriminative region localization and efficient feature encoding are crucial for fine-grained object recognition.However,existing data augmentation methods struggle to accurately locate discriminative regions in complex backgrounds,small target objects,and limited training data,leading to poor recognition.Fine-grained images exhibit“small inter-class differences,”and while second-order feature encoding enhances discrimination,it often requires dual Convolutional Neural Networks(CNN),increasing training time and complexity.This study proposes a model integrating discriminative region localization and efficient second-order feature encoding.By ranking feature map channels via a fully connected layer,it selects high-importance channels to generate an enhanced map,accurately locating discriminative regions.Cropping and erasing augmentations further refine recognition.To improve efficiency,a novel second-order feature encoding module generates an attention map from the fourth convolutional group of Residual Network 50 layers(ResNet-50)and multiplies it with features from the fifth group,producing second-order features while reducing dimensionality and training time.Experiments on Caltech-University of California,San Diego Birds-200-2011(CUB-200-2011),Stanford Car,and Fine-Grained Visual Classification of Aircraft(FGVC Aircraft)datasets show state-of-the-art accuracy of 88.9%,94.7%,and 93.3%,respectively. 展开更多
关键词 Fine-grained recognition feature encoding data augmentation second-order feature discriminative regions
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Photo-crosslinked Second-order Nonlinear Optical Polymer Films with Large Nonlinear Optical Effect and High Thermostability
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作者 Pan-Pan Qiao Qian-Qian Li Zhen Li 《Chinese Journal of Polymer Science》 2026年第4期1007-1016,I0012,共11页
One of the most significant challenges in commercializing organic second-order nonlinear optical(NLO)materials lies in the inherent trade-off between nonlinearity and stability.A key factor in mitigating this compromi... One of the most significant challenges in commercializing organic second-order nonlinear optical(NLO)materials lies in the inherent trade-off between nonlinearity and stability.A key factor in mitigating this compromise is achieving precise temporal synchronization between the formation of the cross-linked network and the establishment of an optimal non-centrosymmetric alignment of the chromophores.Guided by this principle,we developed a series of NLO polymers incorporating multiple ether chains with low rotational energy barriers,which facilitate molecular reorientation during electric field poling,thereby enhancing the NLO response effectively.Combined with an optimized photocrosslinking strategy,the resulting PX4o/PETMP doped film achieved large macroscopic NLO coefficient of 190 pm·V^(-1)and thermal degradation temperature as high as 120℃.This work offers a universal approach to alleviating the“nonlinearity-stability”trade-off in a wide range of polymeric systems. 展开更多
关键词 second-order nonlinear optical effect Thermostability "Nonlinearity-stability"trade-off PHOTO-CROSSLINKING
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Second-order topological insulator in twisted bilayer graphene with small twist angles
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作者 Fenghua Qi Jie Cao +1 位作者 Xingfei Zhou Guojun Jin 《Chinese Physics B》 2025年第11期484-490,共7页
In recent years,the study of higher-order topological states and their material realizations has become a research frontier in topological condensed matter physics.We demonstrate that twisted bilayer graphene with sma... In recent years,the study of higher-order topological states and their material realizations has become a research frontier in topological condensed matter physics.We demonstrate that twisted bilayer graphene with small twist angles behaves as a second-order topological insulator possessing topological corner charges.Using a tight-binding model,we compute the topological band indices and corner states of finite-sized twisted bilayer graphene flakes.It is found that for any small twist angle,whether commensurate or incommensurate,the gaps both below and above the flat bands are associated with nontrivial topological indices.Our results not only extend the concept of second-order band topology to arbitrary small twist angles but also confirm the existence of corner states at acute-angle corners. 展开更多
关键词 second-order topological insulators twisted bilayer graphene
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Sufficient and Necessary Conditions for Leader-Following Consensus of Second-Order Multi-Agent Systems via Intermittent Sampled Control
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作者 Ziyang Wang Yuanzhen Feng +1 位作者 Zhengxin Wang Cong Zheng 《Computers, Materials & Continua》 2025年第6期4835-4853,共19页
Continuous control protocols are extensively utilized in traditional MASs,in which information needs to be transmitted among agents consecutively,therefore resulting in excessive consumption of limited resources.To de... Continuous control protocols are extensively utilized in traditional MASs,in which information needs to be transmitted among agents consecutively,therefore resulting in excessive consumption of limited resources.To decrease the control cost,based on ISC,several LFC problems are investigated for second-order MASs without and with time delay,respectively.Firstly,an intermittent sampled controller is designed,and a sufficient and necessary condition is derived,under which state errors between the leader and all the followers approach zero asymptotically.Considering that time delay is inevitable,a new protocol is proposed to deal with the time-delay situation.The error system’s stability is analyzed using the Schur stability theorem,and sufficient and necessary conditions for LFC are obtained,which are closely associated with the coupling gain,the system parameters,and the network structure.Furthermore,for the case where the current position and velocity information are not available,a distributed protocol is designed that depends only on the sampled position information.The sufficient and necessary conditions for LFC are also given.The results show that second-order MASs can achieve the LFC if and only if the system parameters satisfy the inequalities proposed in the paper.Finally,the correctness of the obtained results is verified by numerical simulations. 展开更多
关键词 Intermittent sampled control leader-following consensus time delay second-order multi-agent system
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Electromagnetically induced transparency and second-order sideband effects in a Laguerre–Gaussian cavity optorotational system with Kerr medium
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作者 Jing-Xuan Li Su-Mei Huang Ai-Xi Chen 《Communications in Theoretical Physics》 2025年第7期54-62,共9页
In this paper,we investigate the phenomena of electromagnetically induced transparency and the generation of second-order sideband in a Laguerre–Gaussian cavity optorotational system with a Kerr nonlinear medium.Usin... In this paper,we investigate the phenomena of electromagnetically induced transparency and the generation of second-order sideband in a Laguerre–Gaussian cavity optorotational system with a Kerr nonlinear medium.Using the perturbation method,we analyze the first-and second-order sideband generations in the output field from the system under the actions of a strong control field and a weak probe field.Numerical simulations show that the Kerr nonlinearity can lead to the occurrence of the asymmetric line shape in the transmission of the probe field.Comparing with traditional scheme for generating the second-order sideband,our spectral shape of the second-order sideband is amplified and becomes asymmetric,which has potential applications in precision measurement,high-sensitivity devices,and frequency conversion. 展开更多
关键词 Laguerre–Gaussian cavity optorotational system electromagnetically induced transparency second-order sideband generation Kerr medium
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Stabilization of second-order bilinear systems with time delay by a class of bounded feedbacks
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作者 Khalil El Kazoui Hassan Ezzaki 《Control Theory and Technology》 2025年第4期579-589,共11页
The stabilization problem of second-order bilinear systems with time delay is investigated.Feedback controls are chosen so that the strong and exponential stabilization of the system is ensured.The obtained results ar... The stabilization problem of second-order bilinear systems with time delay is investigated.Feedback controls are chosen so that the strong and exponential stabilization of the system is ensured.The obtained results are illustrated by wave and beam equations with simulation. 展开更多
关键词 second-order systems Bilinear systems Time delay Strong stabilization Exponential stabilization Wave equation Beam equation
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Second-Order Transconductance-Mode Universal Filter Based on CCCⅡand OTA
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作者 HOU Jingqiang YE Xiangdong +1 位作者 ZHENG Jie LI Yongan 《Wuhan University Journal of Natural Sciences》 2025年第5期441-446,共6页
This research,based on Mason's formula,proposes a novel design for a second-order transconductance-mode universal filter with the operational transconductance amplifier(OTA)as the core and the second-generation cu... This research,based on Mason's formula,proposes a novel design for a second-order transconductance-mode universal filter with the operational transconductance amplifier(OTA)as the core and the second-generation current-controlled conveyor(CCCⅡ)as the auxiliary.The circuit incorporates two OTAs,one CCCⅡ,two grounded capacitors,and one grounded resistor.The quality factor Q and natural frequency fo of the filter can be electronically tuned and are not sensitive to temperature.The input and output terminals of the cir-cuit exhibit no loading effect,and the sensitivity of the circuit is low.At last,alternating frequency analysis,parameter scanning analysis,and temperature scanning analysis have been carried out by using Multisim software,confirming the correctness and effectiveness of the designed circuit. 展开更多
关键词 second-order universal filter transconductance-mode circuit second-generation current-controlled conveyor(CCCII) operational transconductance amplifier(OTA)
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Detection of co-phasing error in segmented mirror based on extended Young’s interferometry combined with Vision Transformer
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作者 LIU Yin-ling YAO Chi +3 位作者 OUYANG Shang-tao WAN Yi-rong CHEN Mo LI Bin 《中国光学(中英文)》 北大核心 2026年第1期205-218,共14页
Due to the inability of manufacturing a single monolithic mirror at the 10-meter scales,segmented mirrors have become indispensable tools in modern astronomical research.However,to match the imaging performance of the... Due to the inability of manufacturing a single monolithic mirror at the 10-meter scales,segmented mirrors have become indispensable tools in modern astronomical research.However,to match the imaging performance of the monolithic counterpart,the sub-mirrors must maintain precise co-phasing.Piston error critically degrades segmented mirror imaging quality,necessitating efficient and precise detection.To ad-dress the limitations that the conventional circular-aperture diffraction with two-wavelength algorithm is sus-ceptible to decentration errors,and the traditional convolutional neural networks(CNNs)struggle to capture global features under large-range piston errors due to their restricted local receptive fields,this paper pro-poses a method that integrates extended Young’s interference principles with a Vision Transformer(ViT)to detect piston error.By suppressing decentration error interference through two symmetrically arranged aper-tures and extending the measurement range to±7.95μm via a two-wavelength(589 nm/600 nm)algorithm.This approach exploits ViT’s self-attention mechanism to model global characteristics of interference fringes.Unlike CNNs constrained by local convolutional kernels,the ViT significantly improves sensitivity to inter-ferogram periodicity.The simulation results demonstrate that the proposed method achieves a measurement accuracy of 5 nm(0.0083λ0)across the range of±7.95μm,while maintaining an accuracy exceeding 95%in the presence of Gaussian noise(SNR≥15 dB),Poisson noise(λ≥9 photons/pixel),and sub-mirror gap er-ror(Egap≤0.2)interference.Moreover,the detection speed shows significant improvement compared to the cross-correlation algorithm.This study establishes an accurate,robust framework for segmented mirror error detection,advancing high-precision astronomical observation. 展开更多
关键词 segmented mirror co-phasing piston errors ViT Young’s interference principles
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FeatherGuard:A Data-Driven Lightweight Error Protection Scheme for DNN Inference on Edge Devices
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作者 Dong Hyun Lee Na Kyung Lee Young Seo Lee 《Computers, Materials & Continua》 2026年第2期2000-2016,共17页
There has been an increasing emphasis on performing deep neural network(DNN)inference locally on edge devices due to challenges such as network congestion and security concerns.However,as DRAM process technology conti... There has been an increasing emphasis on performing deep neural network(DNN)inference locally on edge devices due to challenges such as network congestion and security concerns.However,as DRAM process technology continues to scale down,the bit-flip errors in the memory of edge devices become more frequent,thereby leading to substantial DNN inference accuracy loss.Though several techniques have been proposed to alleviate the accuracy loss in edge environments,they require complex computations and additional parity bits for error correction,thus resulting in significant performance and storage overheads.In this paper,we propose FeatherGuard,a data-driven lightweight error protection scheme for DNN inference on edge devices.FeatherGuard selectively protects critical bit positions(that have a significant impact on DNN inference accuracy)against bit-flip errors,by considering various DNN characteristics(e.g.,data format,layer-wise weight distribution,actually stored logical values).Thus,it achieves high error tolerability during DNN inference.Since FeatherGuard reduces the bit-flip errors based on only a few simple arithmetic operations(e.g.,NOT operations)without parity bits,it causes negligible performance overhead and no storage overhead.Our experimental results show that FeatherGuard improves the error tolerability by up to 6667×and 4000×,compared to the conventional systems and the state-of-the-art error protection technique for edge environments,respectively. 展开更多
关键词 Edge AI DRAM reliability error protection bit-flip error deep neural networks
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Insights into Student Perceptions of Error Feedback and Improvement Preferences in Online Programming Education
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作者 Li Zhang Tianze Wang +1 位作者 Jing Jiang Yufei Zhou 《计算机教育》 2026年第3期176-189,共14页
Online programming platforms are popular in programming education.However,there has been no research investigating students’real opinions and expectations of the error feedback mechanisms,leaving educators without a ... Online programming platforms are popular in programming education.However,there has been no research investigating students’real opinions and expectations of the error feedback mechanisms,leaving educators without a solid data foundation when attempting to improve the error feedback mechanisms.This paper makes a survey of 834 students across various programming courses and investigates student perceptions of error feedback mechanisms on online programming platforms.It explores the effectiveness of existing feedback,student satisfaction,and preferences for potential improvements,focusing on automatic error localization and program repair mechanisms.Results reveal a significant portion of students are dissatisfied with current feedback due to its limited informativeness.Students also express a clear demand for stronger feedback mechanisms,such as error localization and repair hints.Nevertheless,they prefer feedback that subtly guides them toward solutions,rather than providing direct and explicit answers,valuing the opportunity to enhance their debugging skills.The findings suggest a need for balanced,educational-focused feedback mechanisms that aid learning while promoting independent problem-solving. 展开更多
关键词 error feedback Online programming education Program error localization Automated program repair
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Forecast errors of tropical cyclone track and intensity by the China Meteorological Administration from 2013 to 2022
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作者 Huanmujin Yuan Hong Wang +2 位作者 Yubin Li Kevin K.W.Cheung Zhiqiu Gao 《Atmospheric and Oceanic Science Letters》 2026年第1期72-77,共6页
This study presents a comprehensive evaluation of tropical cyclone(TC)forecast performance in the western North Pacific from 2013 to 2022,based on operational forecasts issued by the China Meteorological Administratio... This study presents a comprehensive evaluation of tropical cyclone(TC)forecast performance in the western North Pacific from 2013 to 2022,based on operational forecasts issued by the China Meteorological Administration.The analysis reveals systematic improvements in both track and intensity forecasts over the decade,with distinct error characteristics observed across various forecast parameters.Track forecast errors have steadily decreased,particularly for longer lead times,while error magnitudes have increased with longer forecast lead times.Intensity forecasts show similar progressive enhancements,with maximum sustained wind speed errors decreasing by 0.26 m/s per year for 120 h forecasts.The study also identifies several key patterns in forecast performance:typhoon-grade or stronger TCs exhibit smaller track errors than week or weaker systems;intensity forecasts systematically overestimate weaker TCs while underestimating stronger systems;and spatial error distributions show greater track inaccuracies near landmasses and regional intensity biases.These findings highlight both the significant advances in TC forecasting capability achieved through improved modeling and observational systems,and the remaining challenges in predicting TC changes and landfall behavior,providing valuable benchmarks for future forecast system development. 展开更多
关键词 Forecast error Tropical cyclone TRACK INTENSITY
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Total score of the computer vision syndrome questionnaire predicts refractive errors and binocular vision anomalies
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作者 Mosaad Alhassan Tasneem Samman +5 位作者 Hatoun Badukhen Muhamad Alrashed Balsam Alabdulkader Essam Almutleb Tahani Alqahtani Ali Almustanyir 《International Journal of Ophthalmology(English edition)》 2026年第1期90-96,共7页
AIM:To evaluate the efficacy of the total computer vision syndrome questionnaire(CVS-Q)score as a predictive tool for identifying individuals with symptomatic binocular vision anomalies and refractive errors.METHODS:A... AIM:To evaluate the efficacy of the total computer vision syndrome questionnaire(CVS-Q)score as a predictive tool for identifying individuals with symptomatic binocular vision anomalies and refractive errors.METHODS:A total of 141 healthy computer users underwent comprehensive clinical visual function assessments,including evaluations of refractive errors,accommodation(amplitude of accommodation,positive relative accommodation,negative relative accommodation,accommodative accuracy,and accommodative facility),and vergence(phoria,positive and negative fusional vergence,near point of convergence,and vergence facility).Total CVS-Q scores were recorded to explore potential associations between symptom scores and the aforementioned clinical visual function parameters.RESULTS:The cohort included 54 males(38.3%)with a mean age of 23.9±0.58y and 87 age-matched females(61.7%)with a mean age of 23.9±0.53y.The multiple regression model was statistically significant[R²=0.60,F=13.28,degrees of freedom(DF=17122,P<0.001].This indicates that 60%of the variance in total CVS-Q scores(reflecting reported symptoms)could be explained by four clinical measurements:amplitude of accommodation,positive relative accommodation,exophoria at distance and near,and positive fusional vergence at near.CONCLUSION:The total CVS-Q score is a valid and reliable tool for predicting the presence of various nonstrabismic binocular vision anomalies and refractive errors in symptomatic computer users. 展开更多
关键词 computer vision syndrome refractive errors ACCOMMODATION VERGENCE binocular vision SYMPTOMS
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Error Correction Method of Ultra-short-term Prediction Based on Load Peak-valley Characteristics for Wind Farm Cluster
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作者 Mao Yang Yunfeng Guo 《CSEE Journal of Power and Energy Systems》 2026年第1期258-270,共13页
In recent years,the global installed capacity of wind power has grown rapidly,making the enhancement of wind power prediction accuracy crucial for facilitating the integration and consumption of renewable energy.Curre... In recent years,the global installed capacity of wind power has grown rapidly,making the enhancement of wind power prediction accuracy crucial for facilitating the integration and consumption of renewable energy.Current research on ultra-short-term wind power prediction often overlooks load characteristics,resulting in an inability to adequately address grid connection requirements and load dispatching demands across different time periods.To address this limitation,this study proposes a novel approach to ultra-short-term wind power prediction error correction that incorporates load peak-valley characteristics.The methodology involves three key steps:first,deriving interannual prediction error characteristics from ultra-short-term prediction results of wind farm clusters;second,establishing error correction intervals for load peak and valley periods,calculating corresponding correction coefficients,and analyzing the impact of varying correction radii on the final results;third,validating the proposed method through empirical analysis of wind farm clusters in three northeastern provinces.The results demonstrate that this approach not only improves wind power prediction accuracy but also significantly reduces the occurrence of harmful error days,thereby better meeting the operational requirements of power system dispatch. 展开更多
关键词 Correction interval correction radius error correction load peak-valley characteristics
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Rateless Polar Codes with Unequal Error Protection Property
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作者 Cui Chen Xiang Wei +1 位作者 Ma Siwei Guo Qing 《China Communications》 2026年第1期10-23,共14页
Mobile communications are reaching out to every aspect of our daily life,necessitating highefficiency data transmission and support for diverse data types and communication scenarios.Polar codes have emerged as a prom... Mobile communications are reaching out to every aspect of our daily life,necessitating highefficiency data transmission and support for diverse data types and communication scenarios.Polar codes have emerged as a promising solution due to their outstanding error-correction performance and low complexity.Unequal error protection(UEP)involves nonuniform error safeguarding for distinct data segments,achieving a fine balance between error resilience and resource allocation,which ultimately enhancing system performance and efficiency.In this paper,we propose a novel class of UEP rateless polar codes.The codes are designed based on matrix extension of polar codes,and elegant mapping and duplication operations are designed to achieve UEP property while preserving the overall performance of conventional polar codes.Superior UEP performance is attained without significant modifications to conventional polar codes,making it straightforward for compatibility with existing polar codes.A theoretical analysis is conducted on the block error rate and throughput efficiency performance.To the best of our knowledge,this work provides the first theoretical performance analysis of UEP rateless polar codes.Simulation results show that the proposed codes significantly outperform existing polar coding schemes in both block error rate and throughput efficiency. 展开更多
关键词 matrix extension polar codes rateless coding unequal error protection
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Error Analysis of Geomagnetic Field Reconstruction Model Using Negative Learning for Seismic Anomaly Detection
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作者 Nur Syaiful Afrizal KhairulAdibYusof +5 位作者 Lokman Hakim Muhamad Nurul Shazana Abdul Hamid Mardina Abdullah Mohd Amiruddin Abd Rahman Syamsiah Mashohor Masashi Hayakawa 《Computers, Materials & Continua》 2026年第2期1338-1353,共16页
Detecting geomagnetic anomalies preceding earthquakes is a challenging yet promising area of research that has gained increasing attention in recent years.This study introduces a novel reconstruction-based modeling ap... Detecting geomagnetic anomalies preceding earthquakes is a challenging yet promising area of research that has gained increasing attention in recent years.This study introduces a novel reconstruction-based modeling approach enhanced by negative learning,employing a Bidirectional Long Short-Term Memory(BiLSTM)network explicitly trained to accurately reconstruct non-seismic geomagnetic signals while intentionally amplifying reconstruction errors for seismic signals.By penalizing the model for accurately reconstructing seismic anomalies,the negative learning approach effectively magnifies the differences between normal and anomalous data.This strategic differentiation enhances the sensitivity of the BiLSTM network,enabling improved detection of subtle geomagnetic anomalies that may serve as earthquake precursors.Experimental validation clearly demonstrated statistically significant higher reconstruction errors for seismic signals compared to non-seismic signals,confirmed through the Mann-Whitney U test with a p-value of 0.0035 for Root Mean Square Error(RMSE).These results provide compelling evidence of the enhanced anomaly detection capability achieved through negative learning.Unlike traditional classification-based methods,negative learning explicitly encourages sensitivity to subtle precursor signals embedded within complex geomagnetic data,establishing a robust basis for further development of reliable earthquake prediction methods. 展开更多
关键词 error analysis geomagnetic field BiLSTM model negative learning earthquake precursor
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Research on ultraprecision turning and profile-error compensation technology for multi-axis linkage
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作者 Xipeng Guo Jiabin Yuan +1 位作者 Wei Shi Shaohui Yin 《Nanotechnology and Precision Engineering》 2026年第1期60-69,共10页
In an ultraprecision turning process for small-diameter optical aspheric workpieces,tool-profile errors induce mid-frequency errors in the workpiece profile,limiting further improvements in precision.In this study,an ... In an ultraprecision turning process for small-diameter optical aspheric workpieces,tool-profile errors induce mid-frequency errors in the workpiece profile,limiting further improvements in precision.In this study,an XZB three-axis linkage ultraprecision machining method is proposed,and the effects of tool-center errors are analyzed.To address residual errors in Z-direction profile-error compensation,a workpiece normal-profile-error compensation method is proposed.After XZB three-axis linkage turning and compensation,the workpiece profile error(PV)reaches 0.086μm,surpassing the precision of XZ two-axis machining,and mid-frequency errors are reduced.Compared with Z-direction profile-error compensation,which results in a profile error of 0.092μm,normal-profile-error compensation reduces PV to 0.047μm,considerably improving aspheric accuracy.Experimental results demonstrate that XZB three-axis linkage machining significantly improves the aspheric workpiece profile,enhancing both its accuracy and surface quality.This method reduces mid-frequency errors,and the subsequent application of normal-profile-error compensation further refines the profile,achieving higher overall accuracy. 展开更多
关键词 Aspheric workpiece Ultraprecision turning XZB three-axis linkage Normal error compensation
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Retaining local chemical effects:An error cancellation strategy for calculating standard gas-phase enthalpy of formation
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作者 Rui Liu Chaoyang Zhang +2 位作者 Linyuan Wang Zhiyu Huang Jian Liu 《Defence Technology(防务技术)》 2026年第1期172-179,共8页
Conventional error cancellation approaches separate molecules into smaller fragments and sum the errors of all fragments to counteract the overall computational error of the parent molecules.However,these approaches m... Conventional error cancellation approaches separate molecules into smaller fragments and sum the errors of all fragments to counteract the overall computational error of the parent molecules.However,these approaches may be ineffective for systems with strong localized chemical effects,as fragmenting specific substructures into simpler chemical bonds can introduce additional errors instead of mitigating them.To address this issue,we propose the Substructure-Preserved Connection-Based Hierarchy(SCBH),a method that automatically identifies and freezes substructures with significant local chemical effects prior to molecular fragmentation.The SCBH is validated by the gas-phase enthalpy of formation calculation of CHNO molecules.Therein,based on the atomization scheme,the reference and test values are derived at the levels of Gaussian-4(G4)and M062X/6-31+G(2df,p),respectively.Compared to commonly used approaches,SCBH reduces the average computational error by half and requires only15%of the computational cost of G4 to achieve comparable accuracy.Since different types of local effect structures have differentiated influences on gas-phase enthalpy of formation,substituents with strong electronic effects should be retained preferentially.SCBH can be readily extended to diverse classes of organic compounds.Its workflow and source code allow flexible customization of molecular moieties,including azide,carboxyl,trinitromethyl,phenyl,and others.This strategy facilitates accurate,rapid,and automated computations and corrections,making it well-suited for high-throughput molecular screening and dataset construction for gas-phase enthalpy of formation. 展开更多
关键词 Gas-phase enthalpy of formation error cancellation Quantum chemical High throughput
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Acute liver failure caused by amino acid or organic acid related inborn errors of metabolism
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作者 Ying Zhou Chi Chen Xin Yang 《Hepatobiliary & Pancreatic Diseases International》 2026年第1期112-114,共3页
Inborn errors of metabolism(IEMs)are a large group of disorders resulting from deficient activities in several metabolic pathways due to the dysfunction of a distinct enzyme associated with a biochemical pathway[1,2].... Inborn errors of metabolism(IEMs)are a large group of disorders resulting from deficient activities in several metabolic pathways due to the dysfunction of a distinct enzyme associated with a biochemical pathway[1,2].Toxic intermediates will be produced due to the dysfunction of biochemical pathways.The liver is responsible for many essential metabolic processes,therefore it becomes one of the most severely affected organ by metabolic diseases[3].Early onset of liver disorders in IEMs includes jaundice,hepatomegaly,splenomegaly,ascites,hepatic encephalopathy,and liver failure[4].In infants and young children under 3 years old with acute liver failure(ALF),IEMs account for 18.9%-43%[5]. 展开更多
关键词 biochemical pathway toxic intermediates metabolic diseases early acute liver failure inborn errors metabolism iems organic acid dysfunction distinct enzyme metabolic processestherefore metabolic pathways
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