This study proposes a novel forecasting framework that simultaneously captures the strong periodicity and irregular meteorological fluctuations inherent in solar radiation time series.Existing approaches typically def...This study proposes a novel forecasting framework that simultaneously captures the strong periodicity and irregular meteorological fluctuations inherent in solar radiation time series.Existing approaches typically define inter-regional correlations using either simple correlation coefficients or distance-based measures when applying spatio-temporal graph neural networks(STGNNs).However,such definitions are prone to generating spurious correlations due to the dominance of periodic structures.To address this limitation,we adopt the Elastic-Band Transform(EBT)to decompose solar radiation into periodic and amplitude-modulated components,which are then modeled independently with separate graph neural networks.The periodic component,characterized by strong nationwide correlations,is learned with a relatively simple architecture,whereas the amplitude-modulated component is modeled with more complex STGNNs that capture climatological similarities between regions.The predictions from the two components are subsequently recombined to yield final forecasts that integrate both periodic patterns and aperiodic variability.The proposed framework is validated with multiple STGNN architectures,and experimental results demonstrate improved predictive accuracy and interpretability compared to conventional methods.展开更多
Long-term traffic flow prediction is a crucial component of intelligent transportation systems within intelligent networks,requiring predictive models that balance accuracy with low-latency and lightweight computation...Long-term traffic flow prediction is a crucial component of intelligent transportation systems within intelligent networks,requiring predictive models that balance accuracy with low-latency and lightweight computation to optimize trafficmanagement and enhance urban mobility and sustainability.However,traditional predictivemodels struggle to capture long-term temporal dependencies and are computationally intensive,limiting their practicality in real-time.Moreover,many approaches overlook the periodic characteristics inherent in traffic data,further impacting performance.To address these challenges,we introduce ST-MambaGCN,a State-Space-Based Spatio-Temporal Graph Convolution Network.Unlike conventionalmodels,ST-MambaGCN replaces the temporal attention layer withMamba,a state-space model that efficiently captures long-term dependencies with near-linear computational complexity.The model combines Chebyshev polynomial-based graph convolutional networks(GCN)to explore spatial correlations.Additionally,we incorporate a multi-temporal feature capture mechanism,where the final integrated features are generated through the Hadamard product based on learnable parameters.This mechanism explicitly models shortterm,daily,and weekly traffic patterns to enhance the network’s awareness of traffic periodicity.Extensive experiments on the PeMS04 and PeMS08 datasets demonstrate that ST-MambaGCN significantly outperforms existing benchmarks,offering substantial improvements in both prediction accuracy and computational efficiency for long-term traffic flow prediction.展开更多
Traffic flow prediction constitutes a fundamental component of Intelligent Transportation Systems(ITS),playing a pivotal role in mitigating congestion,enhancing route optimization,and improving the utilization efficie...Traffic flow prediction constitutes a fundamental component of Intelligent Transportation Systems(ITS),playing a pivotal role in mitigating congestion,enhancing route optimization,and improving the utilization efficiency of roadway infrastructure.However,existingmethods struggle in complex traffic scenarios due to static spatio-temporal embedding,restricted multi-scale temporal modeling,and weak representation of local spatial interactions.This study proposes Bi-STAT+,an enhanced bidirectional spatio-temporal attention framework to address existing limitations through three principal contributions:(1)an adaptive spatio-temporal embedding module that dynamically adjusts embeddings to capture complex traffic variations;(2)frequency-domain analysis in the temporal dimension for simultaneous high-frequency details and low-frequency trend extraction;and(3)an agent attention mechanism in the spatial dimension that enhances local feature extraction through dynamic weight allocation.Extensive experiments were performed on four distinct datasets,including two publicly benchmark datasets(PEMS04 and PEMS08)and two private datasets collected from Baotou and Chengdu,China.The results demonstrate that Bi-STAT+consistently outperforms existing methods in terms of MAE,RMSE,and MAPE,while maintaining strong robustness against missing data and noise.Furthermore,the results highlight that prediction accuracy improves significantly with higher sampling rates,providing crucial insights for optimizing real-world deployment scenarios.展开更多
The uneven distribution of the temperature field in the track structure,caused by various meteorological factors such as extremely low temperatures and snowfall,leads to significant temperature loads and is the primar...The uneven distribution of the temperature field in the track structure,caused by various meteorological factors such as extremely low temperatures and snowfall,leads to significant temperature loads and is the primary cause of damage to China Railway Track System(CRTS)III ballastless tracks in cold regions during service.In this study,to predict the temperature of the track structure accurately,we analyzed meteorological data collected from Shenyang,China,and identified the factors that had the most effect on the track temperature field.We propose a temporal convolutional network(TCN)-based temperature field prediction model for ballastless tracks(TCN-Track model),which enhances the ability to extract and fuse local and global features from complex long-term meteorological data.The results indicate that the proposed TCN-Track model performs well in predicting track temperature fields from meteorological data,with a mean absolute error(MAE)ranging from 0.26 to 0.39,a root mean square error(RMSE)ranging from 0.32 to 0.50,and correlation coefficient(R)values ranging from 0.888 to 0.985.Compared with a long short-term memory(LSTM)model,the MAE of the TCN-Track model is reduced by 89.17%and the RMSE by 88.51%.This method offers a new solution for accurately predicting the temperature field of ballastless tracks in cold regions,aiding in predicting and preventing track damage caused by low temperatures.展开更多
The pseudo-two-dimensional(P2D)model plays an important role in exploring physicochemical mechanisms,predicting the state of health,and improving the fast charge capability for Li-ion batteries(LIBs).However,the fast ...The pseudo-two-dimensional(P2D)model plays an important role in exploring physicochemical mechanisms,predicting the state of health,and improving the fast charge capability for Li-ion batteries(LIBs).However,the fast charge leads to the lithium concentration gradient in the solid and electrolyte phases and the non-uniform electrochemical reaction at the solid/electrolyte interface.In order to decouple charge transfer reactions in LIBs under dynamic conditions,understanding the spatio-temporal resolution of the P2D model is urgently required.Till now,the study of this aspect is still insufficient.This work studies the spatio-temporal resolution for dynamic/static electrochemical impedance spectroscopy(DEIS/SEIS)on multiple scales.In detail,DEIS and SEIS with spatio-temporal resolutions are used to decouple charge transfer reactions in LIBs based on the numerical solution of the P2D model in the frequency domain.The calculated results indicate that decoupling solid diffusion requires a high spatial resolution along the r-direction in particles,decoupling electrolyte diffusion and interfacial transfer reaction requires a high spatial resolution along the x-direction,and decoupling charge transfer reactions in LIBs at an extremely low state of charge(SOC)requires an extremely high temporal resolution along the t-direction.Finally,the optimal range of spatio-temporal resolutions for DEIS/SEIS is derived,and the method to decouple charge transfer reactions with spatio-temporal resolutions is developed.展开更多
Accurate channel state information(CSI)is crucial for 6G wireless communication systems to accommodate the growing demands of mobile broadband services.In massive multiple-input multiple-output(MIMO)systems,traditiona...Accurate channel state information(CSI)is crucial for 6G wireless communication systems to accommodate the growing demands of mobile broadband services.In massive multiple-input multiple-output(MIMO)systems,traditional CSI feedback approaches face challenges such as performance degradation due to feedback delay and channel aging caused by user mobility.To address these issues,we propose a novel spatio-temporal predictive network(STPNet)that jointly integrates CSI feedback and prediction modules.STPNet employs stacked Inception modules to learn the spatial correlation and temporal evolution of CSI,which captures both the local and the global spatiotemporal features.In addition,the signal-to-noise ratio(SNR)adaptive module is designed to adapt flexibly to diverse feedback channel conditions.Simulation results demonstrate that STPNet outperforms existing channel prediction methods under various channel conditions.展开更多
Traditional psychiatric diagnosis relies on subjective symptom assessment,lacking objective biomarkers that hinder early detection and personalized treatment.Plasma proteins and polygenic risk score(PRS),as potential ...Traditional psychiatric diagnosis relies on subjective symptom assessment,lacking objective biomarkers that hinder early detection and personalized treatment.Plasma proteins and polygenic risk score(PRS),as potential predictive tools,hold promise for advancing early diagnosis of mental disorders.This study aims to evaluate the predictive potential of proteomic features and PRS in multiple mental illnesses(depression,schizophrenia,and post-traumatic stress disorder(PTSD)).Using participant data from the UK Biobank-Pharma Proteomics Project,we screen protein associations with mental disorders through least absolute shrinkage and selection operator(LASSO)analysis and construct a Cox regression risk prediction model by integrating the PRS.Additionally,we evaluate predictive performance using 6 machine learning methods and Kaplan-Meier survival curves.Our findings reveal distinct predictive patterns across dis-orders.For depression,integrating plasma proteins with PRS significantly improves prediction beyond the clinical model(C-index=0.6322).For schizophrenia,adding plasma proteins enhances predictive performance,whereas PRS provides no significant improvement.For PTSD,neither plasma proteins nor PRS add substantial predictive value beyond clinical variables.Risk stratification analysis demonstrat that all three mental disorders models can clearly distinguish high-risk from low-risk groups(depression:HR=2.34,P<0.001;schizophrenia:HR=5.47,P<0.001;PTSD:HR=3.02,P<0.001).Al-though it shows good performance in short-term prediction,its long-term prediction ability has decreased,and it needs to be further optimized in the future.This study underscores the differential utility of biomarkers across mental disorders and provides a rationale for disorder-specific predictive modeling in precision psychiatry.展开更多
BACKGROUND Laparoscopic distal pancreatectomy(LDP)has emerged as the preferred approach for both benign and malignant lesions located in the pancreatic body and tail.Nevertheless,a notable deficiency persists in the a...BACKGROUND Laparoscopic distal pancreatectomy(LDP)has emerged as the preferred approach for both benign and malignant lesions located in the pancreatic body and tail.Nevertheless,a notable deficiency persists in the absence of a standardized,procedure-specific metric for evaluating and comparing surgical quality.A composite measure termed“textbook outcome(TO)”,which encompasses key short-term endpoints,has been validated in laparoscopic pancreatoduodenectomy but has not yet been established in dedicated LDP cohorts.The definition and prediction of TO in this context could aid in facilitating cross-institutional benchmarking and fostering advancements in quality improvement.AIM To establish procedure-specific criteria for TO and identify independent predictors of TO failure in patients undergoing LDP.METHODS Consecutive patients who underwent LDP at a single high-volume pancreatic center between January 2015 and August 2022 were retrospectively analyzed.TO was defined as the absence of clinically relevant postoperative pancreatic fistula(grade B/C),post-pancreatectomy hemorrhage(grade B/C),severe complications(Clavien-Dindo≥III),readmission within 30 days,and in-hospital or 30-day mortality.Multivariable logistic regression was employed to identify independent predictors of TO failure,and a nomogram was constructed and internally validated.RESULTS Among 405 eligible patients,286(70.6%)attained TO.Multivariable analysis revealed that female sex[odds ratio(OR)=0.62,95%confidence interval(CI):0.39-0.99]conferred a protective effect,while preoperative endoscopic ultrasound-guided fine-needle aspiration(OR=2.66,95%CI:1.05-6.73),pancreatic portal hypertension(OR=2.81,95%CI:1.06-7.45),and cystic-solid(OR=2.51,95%CI:1.34-4.69)or solid lesions(OR=1.91,95%CI:1.06-3.44)were independently associated with TO failure(all P<0.05).The derived nomogram exhibited modest discrimination and calibration when assessed in both the training and validation datasets.CONCLUSION The proposed LDP-specific definition of TO is feasible and discriminative,and the developed nomogram provides an objective tool for individualized risk assessment.展开更多
Accurately predicting the synthesizability of inorganic crystal materials serves as a pivotal tool for the efficient screening of viable candidates,substantially reducing the costs associated with extensive experiment...Accurately predicting the synthesizability of inorganic crystal materials serves as a pivotal tool for the efficient screening of viable candidates,substantially reducing the costs associated with extensive experimental trial-and-error processes.However,existing methods,limited by static structural descriptors such as chemical composition and lattice parameters,fail to account for atomic vibrations,which may introduce spurious correlations and undermine predictive reliability.Here,we propose a deep learning model termed integrating graph and dynamical stability(IGDS)for predicting the synthesizability of inorganic crystals.IGDS employs graph representation learning to construct crystal graphs that precisely capture the static structures of crystals and integrates phonon spectral features extracted from pre-trained machine learning interatomic potentials to represent their dynamic properties.Our model exhibits outstanding performance in predicting the synthesizability of low-energy unsynthesizable crystals across 41 material systems,achieving precision and recall values of 0.916/0.863 for ternary compounds.By capturing both static structural descriptors and dynamic features,IGDS provides a physics-informed method for predicting the synthesizability of inorganic crystals.This approach bridges the gap between theoretical design concepts and their practical implementation,thereby streamlining the development cycle of new materials and enhancing overall research efficiency.展开更多
As a tropical island confronting the dual imperatives of tourism-driven economic growth and ecological vulnerability,Hainan's land-use sustainability critically impacts both regional development and coastal ecosys...As a tropical island confronting the dual imperatives of tourism-driven economic growth and ecological vulnerability,Hainan's land-use sustainability critically impacts both regional development and coastal ecosystem security.This study employs a coupled PLUS-InVEST modeling framework to analyze land-use changes and habitat quality dynamics from 2000 to 2020,projecting ecological outcomes under three development scenarios for 2030.Key findings reveal:(1)A persistent bimodal habitat distribution pattern,with high-quality areas concentrated in the central forest zone and degraded areas in coastal peripheries,exhibiting a continuous decline over the 20-year period.(2)Accelerated urbanization between 2010 and 2020 resulted in the conversion of ecological land to construction use,correlating strongly with habitat fragmentation intensity.(3)Baseline projections for 2030 indicate that construction land will dominate new conversions.(4)Ecological protection scenarios demonstrate recoverable habitat potentials,particularly within coastal buffer zones.These findings provide empirical validation of scenario-driven land-use planning as a viable tool for island ecosystems,highlighting the critical need to balance tourism infrastructure development with coastal conservation imperatives in tropical island sustainability management.This methodology advances spatial decision-making for balancing island economic growth with biodiversity preservation,offering replicable strategies for global island ecosystems facing similar sustainability challenges.展开更多
The ability to accurately predict urban traffic flows is crucial for optimising city operations.Consequently,various methods for forecasting urban traffic have been developed,focusing on analysing historical data to u...The ability to accurately predict urban traffic flows is crucial for optimising city operations.Consequently,various methods for forecasting urban traffic have been developed,focusing on analysing historical data to understand complex mobility patterns.Deep learning techniques,such as graph neural networks(GNNs),are popular for their ability to capture spatio-temporal dependencies.However,these models often become overly complex due to the large number of hyper-parameters involved.In this study,we introduce Dynamic Multi-Graph Spatial-Temporal Graph Neural Ordinary Differential Equation Networks(DMST-GNODE),a framework based on ordinary differential equations(ODEs)that autonomously discovers effective spatial-temporal graph neural network(STGNN)architectures for traffic prediction tasks.The comparative analysis of DMST-GNODE and baseline models indicates that DMST-GNODE model demonstrates superior performance across multiple datasets,consistently achieving the lowest Root Mean Square Error(RMSE)and Mean Absolute Error(MAE)values,alongside the highest accuracy.On the BKK(Bangkok)dataset,it outperformed other models with an RMSE of 3.3165 and an accuracy of 0.9367 for a 20-min interval,maintaining this trend across 40 and 60 min.Similarly,on the PeMS08 dataset,DMST-GNODE achieved the best performance with an RMSE of 19.4863 and an accuracy of 0.9377 at 20 min,demonstrating its effectiveness over longer periods.The Los_Loop dataset results further emphasise this model’s advantage,with an RMSE of 3.3422 and an accuracy of 0.7643 at 20 min,consistently maintaining superiority across all time intervals.These numerical highlights indicate that DMST-GNODE not only outperforms baseline models but also achieves higher accuracy and lower errors across different time intervals and datasets.展开更多
This study proposes a multi-scale simplified residual convolutional neural network(MS-SRCNN)for the precise prediction of Mg-Nd binary alloy compositions from scanning electron microscope(SEM)images.A multi-scale data...This study proposes a multi-scale simplified residual convolutional neural network(MS-SRCNN)for the precise prediction of Mg-Nd binary alloy compositions from scanning electron microscope(SEM)images.A multi-scale data structure is established by spatially aligning and stacking SEM images at different magnifications.The MS-SRCNN significantly reduces computational runtime by over 90%compared to traditional architectures like ResNet50,VGG16,and VGG19,without compromising prediction accuracy.The model demonstrates more excellent predictive performance,achieving a>5%increase in R^(2) compared to single-scale models.Furthermore,the MS-SRCNN exhibits robust composition prediction capability across other Mg-based binary alloys,including Mg-La,Mg-Sn,Mg-Ce,Mg-Sm,Mg-Ag,and Mg-Y,thereby emphasizing its generalization and extrapolation potential.This research establishes a non-destructive,microstructure-informed composition analysis framework,reduces characterization time compared to traditional experiment methods and provides insights into the composition-microstructure relationship in diverse material systems.展开更多
Photovoltaic(PV)power generation is undergoing significant growth and serves as a key driver of the global energy transition.However,its intermittent nature,which fluctuates with weather conditions,has raised concerns...Photovoltaic(PV)power generation is undergoing significant growth and serves as a key driver of the global energy transition.However,its intermittent nature,which fluctuates with weather conditions,has raised concerns about grid stability.Accurate PV power prediction has been demonstrated as crucial for power system operation and scheduling,enabling power slope control,fluctuation mitigation,grid stability enhancement,and reliable data support for secure grid operation.However,existing prediction models primarily target centralized PV plants,largely neglecting the spatiotemporal coupling dynamics and output uncertainties inherent to distributed PV systems.This study proposes a novel Spatio-Temporal Graph Neural Network(STGNN)architecture for distributed PV power generation prediction,designed to enhance distributed photovoltaic(PV)power generation forecasting accuracy and support regional grid scheduling.This approach models each PV power plant as a node in an undirected graph,with edges representing correlations between plants to capture spatial dependencies.The model comprises multiple Sparse Attention-based Adaptive Spatio-Temporal(SAAST)blocks.The SAAST blocks include sparse temporal attention,sparse spatial attention,an adaptive Graph Convolutional Network(GCN),and a temporal convolution network(TCN).These components eliminate weak temporal and spatial correlations,better represent dynamic spatial dependencies,and further enhance prediction accuracy.Finally,multi-dimensional comparative experiments between the STGNN and other models on the DKASC PV dataset demonstrate its superior performance in terms of accuracy and goodness-of-fit for distributed PV power generation prediction.展开更多
Since the 1975 M_(S)7.3 Haicheng earthquake,spatio-temporal variations in the gravity field have attracted much attention as potential earthquake precursors.Recent technical advances in terrestrial gravity observation...Since the 1975 M_(S)7.3 Haicheng earthquake,spatio-temporal variations in the gravity field have attracted much attention as potential earthquake precursors.Recent technical advances in terrestrial gravity observation,along with the construction of a high-precision mobile gravity network covering Chinese mainland,have positioned temporal gravity variations(GVs)as an important tool for clarifying the signal characteristics and dynamic mechanisms of crustal sources.Reportedly,crustal mass transfer,which is affected by stress state and structural environment,alters the characteristics of the regional gravity field,thus serving as an indicator for locations of moderate to strong earthquakes and a seismology-independent predictor for regions at risk for strong earthquakes.Therefore,quantitatively tracking time-varying gravity is of paramount importance to enhance the effectiveness of earthquake prediction.In this study,we divided the areas effectively covered by the terrestrial mobile gravity network in the Sichuan-Yunnan region into small grids based on the latest observational data(since 2018)from the network.Next,we calculated the 1-and 3-year GVs and gravity gradient indicators(amplitude of analytic signal,AAS;total horizontal derivative,THD;and amplitude of vertical gradient,AVG)to quantitatively characterize variations in regional time-varying gravity field.Next,we assessed the effectiveness of gravity field variations in predicting earthquakes in the Sichuan-Yunnan region using Molchan diagrams constructed for gravity signals of 13 earthquakes(M≥5.0;occurred between 2021 and 2024)within the terrestrial mobile gravity network.The results reveal a certain correspondence between gravity field variations and the locations of moderate and strong earthquakes in the Sichuan-Yunnan region.Furthermore,the 3-year AAS and AVG outperform the 3-year THD in predicting subsequent seismic events.Notably,the AAS and AVG showed large probability gains prior to the M_(S)6.8 Luding earthquake,indicating their potential for earthquake prediction.展开更多
In the past few years,deep learning has developed rapidly,and many researchers try to combine their subjects with deep learning.The algorithm based on Recurrent Neural Network(RNN)has been successfully applied in the ...In the past few years,deep learning has developed rapidly,and many researchers try to combine their subjects with deep learning.The algorithm based on Recurrent Neural Network(RNN)has been successfully applied in the fields of weather forecasting,stock forecasting,action recognition,etc.because of its excellent performance in processing Spatio-temporal sequence data.Among them,algorithms based on LSTM and GRU have developed most rapidly because of their good design.This paper reviews the RNN-based Spatio-temporal sequence prediction algorithm,introduces the development history of RNN and the common application directions of the Spatio-temporal sequence prediction,and includes precipitation nowcasting algorithms and traffic flow forecasting algorithms.At the same time,it also compares the advantages and disadvantages,and innovations of each algorithm.The purpose of this article is to give readers a clear understanding of solutions to such problems.Finally,it prospects the future development of RNN in the Spatio-temporal sequence prediction algorithm.展开更多
Due to water conflicts and allocation in the Lancang-Mekong River Basin(LMRB),the spatio-temporal differentiation of total water resources and the natural-human influence need to be clarified.This work investigated LM...Due to water conflicts and allocation in the Lancang-Mekong River Basin(LMRB),the spatio-temporal differentiation of total water resources and the natural-human influence need to be clarified.This work investigated LMRB's terrestrial water storage anomaly(TWSA)and its spatio-temporal dynamics during 2002–2020.Considering the effects of natural factors and human activities,the respective contributions of climate variability and human activities to terrestrial water storage change(TWSC)were separated.Results showed that:(1)LMRB's TWSA decreased by 0.3158 cm/a.(2)TWSA showed a gradual increase in distribution from southwest of MRB to middle LMRB and from northeast of LRB to middle LMRB.TWSA positively changed in Myanmar while slightly changed in Laos and China.It negatively changed in Vietnam,Thailand and Cambodia.(3)TWSA components decreased in a descending order of soil moisture,groundwater and precipitation.(4)Natural factors had a substantial and spatial differentiated influence on TWSA over the LMRB.(5)Climate variability contributed 79%of TWSC in the LMRB while human activities contributed 21%with an increasing impact after 2008.The TWSC of upstream basin countries was found to be controlled by climate variability while Vietnam and Cambodia's TWSC has been controlled by human activities since 2012.展开更多
Due to its synergistic effects and reduced side effects,combination therapy has become an important strategy for treating complex diseases.In traditional Chinese medicine(TCM),the“monarch,minister,assistant,envoy”co...Due to its synergistic effects and reduced side effects,combination therapy has become an important strategy for treating complex diseases.In traditional Chinese medicine(TCM),the“monarch,minister,assistant,envoy”compatibilities theory provides a systematic framework for drug compatibility and has guided the formation of a large number of classic formulas.However,due to the complex compositions and diverse mechanisms of action of TCM,it is difficult to comprehensively reveal its potential synergistic patterns using traditional methods.Synergistic prediction based on molecular compatibility theory provides new ideas for identifying combinations of active compounds in TCM.Compared to resource-intensive traditional experimental methods,artificial intelligence possesses the ability to mine synergistic patterns from multi-omics and structural data,providing an efficient means for modeling and optimizing TCM combinations.This paper systematically reviews the application progress of AI in the synergistic prediction of TCM active compounds and explores the challenges and prospects of its application in modeling combination relationships,thereby contributing to the modernization of TCM theory and methodological innovation.展开更多
Pharmaceutical pollution is becoming an increasing threat to aquatic environments since inactive compounds do not break down,and the drug products are accumulated in living organisms.The ability of a drug to dissolve ...Pharmaceutical pollution is becoming an increasing threat to aquatic environments since inactive compounds do not break down,and the drug products are accumulated in living organisms.The ability of a drug to dissolve in water(i.e.,LogS)is an important parameter for assessing a drug’s environmental fate,biovailability,and toxicity.LogS is typically measured in a laboratory setting,which can be costly and time-consuming,and does not provide the opportunity to conduct large-scale analyses.This research develops and evaluates machine learning models that can produce LogS estimates and may improve the environmental risk assessments of toxic pharmaceutical pollutants.We used a dataset from the ChEMBL database that contained 8832 molecular compounds.Various data preprocessing and cleaning techniques were applied(i.e.,removing the missing values),we then recorded chemical properties by normalizing and,even,using some feature selection techniques.We evaluated logS with a total of several machine learning and deep learning models,including;linear regression,random forests(RF),support vector machines(SVM),gradient boosting(GBM),and artificial neural networks(ANNs).We assessed model performance using a series of metrics,including root mean square error(RMSE)and mean absolute error(MAE),as well as the coefficient of determination(R^(2)).The findings show that the Least Angle Regression(LAR)model performed the best with an R^(2) value close to 1.0000,confirming high predictive accuracy.The OMP model performed well with good accuracy(R^(2)=0.8727)while remaining computationally cheap,while other models(e.g.,neural networks,random forests)performed well but were too computationally expensive.Finally,to assess the robustness of the results,an error analysis indicated that residuals were evenly distributed around zero,confirming the results from the LAR model.The current research illustrates the potential of AI in anticipating drug solubility,providing support for green pharmaceutical design and environmental risk assessment.Future work should extend predictions to include degradation and toxicity to enhance predictive power and applicability.展开更多
Predicting the productivity of multistage fractured horizontal wells plays an important role in exploiting unconventional resources.In recent years,machine learning(ML)models have emerged as a new approach for such st...Predicting the productivity of multistage fractured horizontal wells plays an important role in exploiting unconventional resources.In recent years,machine learning(ML)models have emerged as a new approach for such studies.However,the scarcity of sufficient real data for model training often leads to imprecise predictions,even though the models trained with real data better characterize geological and engineering features.To tackle this issue,we propose an ML model that can obtain reliable results even with a small amount of data samples.Our model integrates the synthetic minority oversampling technique(SMOTE)to expand the data volume,the support vector machine(SVM)for model training,and the particle swarm optimization(PSO)algorithm for optimizing hyperparameters.To enhance the model performance,we conduct feature fusion and dimensionality reduction.Additionally,we examine the influences of different sample sizes and ML models for training.The proposed model demonstrates higher prediction accuracy and generalization ability,achieving a predicted R^(2)value of up to 0.9 for the test set,compared to the traditional ML techniques with an R^(2)of 0.13.This model accurately predicts the production of fractured horizontal wells even with limited samples,supplying an efficient tool for optimizing the production of unconventional resources.Importantly,the model holds the potential applicability to address similar challenges in other fields constrained by scarce data samples.展开更多
Prediction of weaning success from invasive mechanical ventilation remains a challenge in everyday clinical practice.Several prediction scores have been developed to guide success during spontaneous breathing trials t...Prediction of weaning success from invasive mechanical ventilation remains a challenge in everyday clinical practice.Several prediction scores have been developed to guide success during spontaneous breathing trials to help with weaning decisions.These scores aim to provide a structured framework to support clinical judgment.However,their effectiveness varies across patient populations,and their predictive accuracy remains inconsistent.In this review,we aim to identify the strengths and limitations of commonly used clinical prediction tools in assessing readiness for ventilator liberation.While scores such as the Rapid Shallow Breathing Index and the Integrative Weaning Index are widely adopted,their sensitivity and specificity often fall short in complex clinical settings.Factors such as underlying disease pathophysiology,patient characteristics,and clinician subjectivity impact score performance and reliability.Moreover,disparities in validation across diverse populations limit generalizability.With growing interest in artificial intelligence(AI)and machine learning,there is potential for enhanced prediction models that integrate multidimensional data and adapt to individual patient profiles.However,current AI approaches face challenges related to interpretability,bias,and ethical implementation.This paper underscores the need for more robust,individualized,and transparent prediction systems and advocates for careful integration of emerging technologies into clinical workflows to optimize weaning success and patient outcomes.展开更多
基金supported by Basic Science Research Program through the National Research Foundation of Korea(NRF)funded by the Ministry of Education(RS-2023-00249743).
文摘This study proposes a novel forecasting framework that simultaneously captures the strong periodicity and irregular meteorological fluctuations inherent in solar radiation time series.Existing approaches typically define inter-regional correlations using either simple correlation coefficients or distance-based measures when applying spatio-temporal graph neural networks(STGNNs).However,such definitions are prone to generating spurious correlations due to the dominance of periodic structures.To address this limitation,we adopt the Elastic-Band Transform(EBT)to decompose solar radiation into periodic and amplitude-modulated components,which are then modeled independently with separate graph neural networks.The periodic component,characterized by strong nationwide correlations,is learned with a relatively simple architecture,whereas the amplitude-modulated component is modeled with more complex STGNNs that capture climatological similarities between regions.The predictions from the two components are subsequently recombined to yield final forecasts that integrate both periodic patterns and aperiodic variability.The proposed framework is validated with multiple STGNN architectures,and experimental results demonstrate improved predictive accuracy and interpretability compared to conventional methods.
基金supported byNationalNatural Science Foundation of China,GrantNo.62402046the Beijing Forestry University Science and Technology Innovation Project under Grant No.BLX202358.
文摘Long-term traffic flow prediction is a crucial component of intelligent transportation systems within intelligent networks,requiring predictive models that balance accuracy with low-latency and lightweight computation to optimize trafficmanagement and enhance urban mobility and sustainability.However,traditional predictivemodels struggle to capture long-term temporal dependencies and are computationally intensive,limiting their practicality in real-time.Moreover,many approaches overlook the periodic characteristics inherent in traffic data,further impacting performance.To address these challenges,we introduce ST-MambaGCN,a State-Space-Based Spatio-Temporal Graph Convolution Network.Unlike conventionalmodels,ST-MambaGCN replaces the temporal attention layer withMamba,a state-space model that efficiently captures long-term dependencies with near-linear computational complexity.The model combines Chebyshev polynomial-based graph convolutional networks(GCN)to explore spatial correlations.Additionally,we incorporate a multi-temporal feature capture mechanism,where the final integrated features are generated through the Hadamard product based on learnable parameters.This mechanism explicitly models shortterm,daily,and weekly traffic patterns to enhance the network’s awareness of traffic periodicity.Extensive experiments on the PeMS04 and PeMS08 datasets demonstrate that ST-MambaGCN significantly outperforms existing benchmarks,offering substantial improvements in both prediction accuracy and computational efficiency for long-term traffic flow prediction.
基金partly supported by the Youth Foundation of the Inner Mongolia Natural Science Foundation[grant number 2024QN06017 and 2025MS06022]the Basic Scientific Research Business Fee Project for Universities in Inner Mongolia[grant numbers 2023XKJX019 and 2023XKJX024]the Central Guidance on Local Science and Technology Development Fund through[grant number 2024ZY0084].
文摘Traffic flow prediction constitutes a fundamental component of Intelligent Transportation Systems(ITS),playing a pivotal role in mitigating congestion,enhancing route optimization,and improving the utilization efficiency of roadway infrastructure.However,existingmethods struggle in complex traffic scenarios due to static spatio-temporal embedding,restricted multi-scale temporal modeling,and weak representation of local spatial interactions.This study proposes Bi-STAT+,an enhanced bidirectional spatio-temporal attention framework to address existing limitations through three principal contributions:(1)an adaptive spatio-temporal embedding module that dynamically adjusts embeddings to capture complex traffic variations;(2)frequency-domain analysis in the temporal dimension for simultaneous high-frequency details and low-frequency trend extraction;and(3)an agent attention mechanism in the spatial dimension that enhances local feature extraction through dynamic weight allocation.Extensive experiments were performed on four distinct datasets,including two publicly benchmark datasets(PEMS04 and PEMS08)and two private datasets collected from Baotou and Chengdu,China.The results demonstrate that Bi-STAT+consistently outperforms existing methods in terms of MAE,RMSE,and MAPE,while maintaining strong robustness against missing data and noise.Furthermore,the results highlight that prediction accuracy improves significantly with higher sampling rates,providing crucial insights for optimizing real-world deployment scenarios.
基金supported by the National Natural Science Foundation of China(Nos.52278461,52308467,and 52425213).
文摘The uneven distribution of the temperature field in the track structure,caused by various meteorological factors such as extremely low temperatures and snowfall,leads to significant temperature loads and is the primary cause of damage to China Railway Track System(CRTS)III ballastless tracks in cold regions during service.In this study,to predict the temperature of the track structure accurately,we analyzed meteorological data collected from Shenyang,China,and identified the factors that had the most effect on the track temperature field.We propose a temporal convolutional network(TCN)-based temperature field prediction model for ballastless tracks(TCN-Track model),which enhances the ability to extract and fuse local and global features from complex long-term meteorological data.The results indicate that the proposed TCN-Track model performs well in predicting track temperature fields from meteorological data,with a mean absolute error(MAE)ranging from 0.26 to 0.39,a root mean square error(RMSE)ranging from 0.32 to 0.50,and correlation coefficient(R)values ranging from 0.888 to 0.985.Compared with a long short-term memory(LSTM)model,the MAE of the TCN-Track model is reduced by 89.17%and the RMSE by 88.51%.This method offers a new solution for accurately predicting the temperature field of ballastless tracks in cold regions,aiding in predicting and preventing track damage caused by low temperatures.
基金supported by the National Natural Science Foundation of China(Nos.22479092 and 22078190)。
文摘The pseudo-two-dimensional(P2D)model plays an important role in exploring physicochemical mechanisms,predicting the state of health,and improving the fast charge capability for Li-ion batteries(LIBs).However,the fast charge leads to the lithium concentration gradient in the solid and electrolyte phases and the non-uniform electrochemical reaction at the solid/electrolyte interface.In order to decouple charge transfer reactions in LIBs under dynamic conditions,understanding the spatio-temporal resolution of the P2D model is urgently required.Till now,the study of this aspect is still insufficient.This work studies the spatio-temporal resolution for dynamic/static electrochemical impedance spectroscopy(DEIS/SEIS)on multiple scales.In detail,DEIS and SEIS with spatio-temporal resolutions are used to decouple charge transfer reactions in LIBs based on the numerical solution of the P2D model in the frequency domain.The calculated results indicate that decoupling solid diffusion requires a high spatial resolution along the r-direction in particles,decoupling electrolyte diffusion and interfacial transfer reaction requires a high spatial resolution along the x-direction,and decoupling charge transfer reactions in LIBs at an extremely low state of charge(SOC)requires an extremely high temporal resolution along the t-direction.Finally,the optimal range of spatio-temporal resolutions for DEIS/SEIS is derived,and the method to decouple charge transfer reactions with spatio-temporal resolutions is developed.
基金supported in part by the Natural Science Foundation of China under Grant Nos.U2468201 and 62221001ZTE Industry-University-Institute Cooperation Funds under Grant No.IA20240420002。
文摘Accurate channel state information(CSI)is crucial for 6G wireless communication systems to accommodate the growing demands of mobile broadband services.In massive multiple-input multiple-output(MIMO)systems,traditional CSI feedback approaches face challenges such as performance degradation due to feedback delay and channel aging caused by user mobility.To address these issues,we propose a novel spatio-temporal predictive network(STPNet)that jointly integrates CSI feedback and prediction modules.STPNet employs stacked Inception modules to learn the spatial correlation and temporal evolution of CSI,which captures both the local and the global spatiotemporal features.In addition,the signal-to-noise ratio(SNR)adaptive module is designed to adapt flexibly to diverse feedback channel conditions.Simulation results demonstrate that STPNet outperforms existing channel prediction methods under various channel conditions.
基金The National Natural Science Foundation of China-Regional Science“Identification of novel drug targets for lung cancer via Mendelian randomization analysis based on blood proteomics”(62362062)The 2025 Xinjiang University Excellent Graduate Innovation Project“Research on identification of therapeutic targets and predictive factors for mental disorders based on proteomics”(XJDX2025YJS151)。
文摘Traditional psychiatric diagnosis relies on subjective symptom assessment,lacking objective biomarkers that hinder early detection and personalized treatment.Plasma proteins and polygenic risk score(PRS),as potential predictive tools,hold promise for advancing early diagnosis of mental disorders.This study aims to evaluate the predictive potential of proteomic features and PRS in multiple mental illnesses(depression,schizophrenia,and post-traumatic stress disorder(PTSD)).Using participant data from the UK Biobank-Pharma Proteomics Project,we screen protein associations with mental disorders through least absolute shrinkage and selection operator(LASSO)analysis and construct a Cox regression risk prediction model by integrating the PRS.Additionally,we evaluate predictive performance using 6 machine learning methods and Kaplan-Meier survival curves.Our findings reveal distinct predictive patterns across dis-orders.For depression,integrating plasma proteins with PRS significantly improves prediction beyond the clinical model(C-index=0.6322).For schizophrenia,adding plasma proteins enhances predictive performance,whereas PRS provides no significant improvement.For PTSD,neither plasma proteins nor PRS add substantial predictive value beyond clinical variables.Risk stratification analysis demonstrat that all three mental disorders models can clearly distinguish high-risk from low-risk groups(depression:HR=2.34,P<0.001;schizophrenia:HR=5.47,P<0.001;PTSD:HR=3.02,P<0.001).Al-though it shows good performance in short-term prediction,its long-term prediction ability has decreased,and it needs to be further optimized in the future.This study underscores the differential utility of biomarkers across mental disorders and provides a rationale for disorder-specific predictive modeling in precision psychiatry.
文摘BACKGROUND Laparoscopic distal pancreatectomy(LDP)has emerged as the preferred approach for both benign and malignant lesions located in the pancreatic body and tail.Nevertheless,a notable deficiency persists in the absence of a standardized,procedure-specific metric for evaluating and comparing surgical quality.A composite measure termed“textbook outcome(TO)”,which encompasses key short-term endpoints,has been validated in laparoscopic pancreatoduodenectomy but has not yet been established in dedicated LDP cohorts.The definition and prediction of TO in this context could aid in facilitating cross-institutional benchmarking and fostering advancements in quality improvement.AIM To establish procedure-specific criteria for TO and identify independent predictors of TO failure in patients undergoing LDP.METHODS Consecutive patients who underwent LDP at a single high-volume pancreatic center between January 2015 and August 2022 were retrospectively analyzed.TO was defined as the absence of clinically relevant postoperative pancreatic fistula(grade B/C),post-pancreatectomy hemorrhage(grade B/C),severe complications(Clavien-Dindo≥III),readmission within 30 days,and in-hospital or 30-day mortality.Multivariable logistic regression was employed to identify independent predictors of TO failure,and a nomogram was constructed and internally validated.RESULTS Among 405 eligible patients,286(70.6%)attained TO.Multivariable analysis revealed that female sex[odds ratio(OR)=0.62,95%confidence interval(CI):0.39-0.99]conferred a protective effect,while preoperative endoscopic ultrasound-guided fine-needle aspiration(OR=2.66,95%CI:1.05-6.73),pancreatic portal hypertension(OR=2.81,95%CI:1.06-7.45),and cystic-solid(OR=2.51,95%CI:1.34-4.69)or solid lesions(OR=1.91,95%CI:1.06-3.44)were independently associated with TO failure(all P<0.05).The derived nomogram exhibited modest discrimination and calibration when assessed in both the training and validation datasets.CONCLUSION The proposed LDP-specific definition of TO is feasible and discriminative,and the developed nomogram provides an objective tool for individualized risk assessment.
文摘Accurately predicting the synthesizability of inorganic crystal materials serves as a pivotal tool for the efficient screening of viable candidates,substantially reducing the costs associated with extensive experimental trial-and-error processes.However,existing methods,limited by static structural descriptors such as chemical composition and lattice parameters,fail to account for atomic vibrations,which may introduce spurious correlations and undermine predictive reliability.Here,we propose a deep learning model termed integrating graph and dynamical stability(IGDS)for predicting the synthesizability of inorganic crystals.IGDS employs graph representation learning to construct crystal graphs that precisely capture the static structures of crystals and integrates phonon spectral features extracted from pre-trained machine learning interatomic potentials to represent their dynamic properties.Our model exhibits outstanding performance in predicting the synthesizability of low-energy unsynthesizable crystals across 41 material systems,achieving precision and recall values of 0.916/0.863 for ternary compounds.By capturing both static structural descriptors and dynamic features,IGDS provides a physics-informed method for predicting the synthesizability of inorganic crystals.This approach bridges the gap between theoretical design concepts and their practical implementation,thereby streamlining the development cycle of new materials and enhancing overall research efficiency.
基金National Science and Technology Basic Resources Investigation Program(2022FY101901-2)。
文摘As a tropical island confronting the dual imperatives of tourism-driven economic growth and ecological vulnerability,Hainan's land-use sustainability critically impacts both regional development and coastal ecosystem security.This study employs a coupled PLUS-InVEST modeling framework to analyze land-use changes and habitat quality dynamics from 2000 to 2020,projecting ecological outcomes under three development scenarios for 2030.Key findings reveal:(1)A persistent bimodal habitat distribution pattern,with high-quality areas concentrated in the central forest zone and degraded areas in coastal peripheries,exhibiting a continuous decline over the 20-year period.(2)Accelerated urbanization between 2010 and 2020 resulted in the conversion of ecological land to construction use,correlating strongly with habitat fragmentation intensity.(3)Baseline projections for 2030 indicate that construction land will dominate new conversions.(4)Ecological protection scenarios demonstrate recoverable habitat potentials,particularly within coastal buffer zones.These findings provide empirical validation of scenario-driven land-use planning as a viable tool for island ecosystems,highlighting the critical need to balance tourism infrastructure development with coastal conservation imperatives in tropical island sustainability management.This methodology advances spatial decision-making for balancing island economic growth with biodiversity preservation,offering replicable strategies for global island ecosystems facing similar sustainability challenges.
文摘The ability to accurately predict urban traffic flows is crucial for optimising city operations.Consequently,various methods for forecasting urban traffic have been developed,focusing on analysing historical data to understand complex mobility patterns.Deep learning techniques,such as graph neural networks(GNNs),are popular for their ability to capture spatio-temporal dependencies.However,these models often become overly complex due to the large number of hyper-parameters involved.In this study,we introduce Dynamic Multi-Graph Spatial-Temporal Graph Neural Ordinary Differential Equation Networks(DMST-GNODE),a framework based on ordinary differential equations(ODEs)that autonomously discovers effective spatial-temporal graph neural network(STGNN)architectures for traffic prediction tasks.The comparative analysis of DMST-GNODE and baseline models indicates that DMST-GNODE model demonstrates superior performance across multiple datasets,consistently achieving the lowest Root Mean Square Error(RMSE)and Mean Absolute Error(MAE)values,alongside the highest accuracy.On the BKK(Bangkok)dataset,it outperformed other models with an RMSE of 3.3165 and an accuracy of 0.9367 for a 20-min interval,maintaining this trend across 40 and 60 min.Similarly,on the PeMS08 dataset,DMST-GNODE achieved the best performance with an RMSE of 19.4863 and an accuracy of 0.9377 at 20 min,demonstrating its effectiveness over longer periods.The Los_Loop dataset results further emphasise this model’s advantage,with an RMSE of 3.3422 and an accuracy of 0.7643 at 20 min,consistently maintaining superiority across all time intervals.These numerical highlights indicate that DMST-GNODE not only outperforms baseline models but also achieves higher accuracy and lower errors across different time intervals and datasets.
基金funded by the National Natural Science Foundation of China(No.52204407)the Natural Science Foundation of Jiangsu Province(No.BK20220595)the China Postdoctoral Science Foundation(No.2022M723689).
文摘This study proposes a multi-scale simplified residual convolutional neural network(MS-SRCNN)for the precise prediction of Mg-Nd binary alloy compositions from scanning electron microscope(SEM)images.A multi-scale data structure is established by spatially aligning and stacking SEM images at different magnifications.The MS-SRCNN significantly reduces computational runtime by over 90%compared to traditional architectures like ResNet50,VGG16,and VGG19,without compromising prediction accuracy.The model demonstrates more excellent predictive performance,achieving a>5%increase in R^(2) compared to single-scale models.Furthermore,the MS-SRCNN exhibits robust composition prediction capability across other Mg-based binary alloys,including Mg-La,Mg-Sn,Mg-Ce,Mg-Sm,Mg-Ag,and Mg-Y,thereby emphasizing its generalization and extrapolation potential.This research establishes a non-destructive,microstructure-informed composition analysis framework,reduces characterization time compared to traditional experiment methods and provides insights into the composition-microstructure relationship in diverse material systems.
基金supported by the State Grid Corporation of China Headquarters Science and Technology Project“Research on Key Technologies for Power System Source-Load Forecasting and Regulation Capacity Assessment Oriented towards Major Weather Processes”(4000-202355381A-2-3-XG).
文摘Photovoltaic(PV)power generation is undergoing significant growth and serves as a key driver of the global energy transition.However,its intermittent nature,which fluctuates with weather conditions,has raised concerns about grid stability.Accurate PV power prediction has been demonstrated as crucial for power system operation and scheduling,enabling power slope control,fluctuation mitigation,grid stability enhancement,and reliable data support for secure grid operation.However,existing prediction models primarily target centralized PV plants,largely neglecting the spatiotemporal coupling dynamics and output uncertainties inherent to distributed PV systems.This study proposes a novel Spatio-Temporal Graph Neural Network(STGNN)architecture for distributed PV power generation prediction,designed to enhance distributed photovoltaic(PV)power generation forecasting accuracy and support regional grid scheduling.This approach models each PV power plant as a node in an undirected graph,with edges representing correlations between plants to capture spatial dependencies.The model comprises multiple Sparse Attention-based Adaptive Spatio-Temporal(SAAST)blocks.The SAAST blocks include sparse temporal attention,sparse spatial attention,an adaptive Graph Convolutional Network(GCN),and a temporal convolution network(TCN).These components eliminate weak temporal and spatial correlations,better represent dynamic spatial dependencies,and further enhance prediction accuracy.Finally,multi-dimensional comparative experiments between the STGNN and other models on the DKASC PV dataset demonstrate its superior performance in terms of accuracy and goodness-of-fit for distributed PV power generation prediction.
基金funded by the National Key R&D Program of China(Nos.2023YFE0101800 and 2023YFC 3007305)National Natural Science Foundation of China(Nos.42004069 and 42204093)Special Fund of the Institute of Geophysics,China Earthquake Administration(No.DQJB24X24).
文摘Since the 1975 M_(S)7.3 Haicheng earthquake,spatio-temporal variations in the gravity field have attracted much attention as potential earthquake precursors.Recent technical advances in terrestrial gravity observation,along with the construction of a high-precision mobile gravity network covering Chinese mainland,have positioned temporal gravity variations(GVs)as an important tool for clarifying the signal characteristics and dynamic mechanisms of crustal sources.Reportedly,crustal mass transfer,which is affected by stress state and structural environment,alters the characteristics of the regional gravity field,thus serving as an indicator for locations of moderate to strong earthquakes and a seismology-independent predictor for regions at risk for strong earthquakes.Therefore,quantitatively tracking time-varying gravity is of paramount importance to enhance the effectiveness of earthquake prediction.In this study,we divided the areas effectively covered by the terrestrial mobile gravity network in the Sichuan-Yunnan region into small grids based on the latest observational data(since 2018)from the network.Next,we calculated the 1-and 3-year GVs and gravity gradient indicators(amplitude of analytic signal,AAS;total horizontal derivative,THD;and amplitude of vertical gradient,AVG)to quantitatively characterize variations in regional time-varying gravity field.Next,we assessed the effectiveness of gravity field variations in predicting earthquakes in the Sichuan-Yunnan region using Molchan diagrams constructed for gravity signals of 13 earthquakes(M≥5.0;occurred between 2021 and 2024)within the terrestrial mobile gravity network.The results reveal a certain correspondence between gravity field variations and the locations of moderate and strong earthquakes in the Sichuan-Yunnan region.Furthermore,the 3-year AAS and AVG outperform the 3-year THD in predicting subsequent seismic events.Notably,the AAS and AVG showed large probability gains prior to the M_(S)6.8 Luding earthquake,indicating their potential for earthquake prediction.
基金This work was supported by the National Natural Science Foundation of China(Grant No.42075007)the Open Project of Provincial Key Laboratory for Computer Information Processing Technology under Grant KJS1935Soochow University,and the Priority Academic Program Development of Jiangsu Higher Education Institutions。
文摘In the past few years,deep learning has developed rapidly,and many researchers try to combine their subjects with deep learning.The algorithm based on Recurrent Neural Network(RNN)has been successfully applied in the fields of weather forecasting,stock forecasting,action recognition,etc.because of its excellent performance in processing Spatio-temporal sequence data.Among them,algorithms based on LSTM and GRU have developed most rapidly because of their good design.This paper reviews the RNN-based Spatio-temporal sequence prediction algorithm,introduces the development history of RNN and the common application directions of the Spatio-temporal sequence prediction,and includes precipitation nowcasting algorithms and traffic flow forecasting algorithms.At the same time,it also compares the advantages and disadvantages,and innovations of each algorithm.The purpose of this article is to give readers a clear understanding of solutions to such problems.Finally,it prospects the future development of RNN in the Spatio-temporal sequence prediction algorithm.
基金National Natural Science Foundation of China,No.42161006Yunnan Fundamental Research Projects No.202201AT070094,No.202301BF070001-004+1 种基金Special Project for High-level Talents of Yunnan Province for Young Top Talents,No.C6213001159European Research Council(ERC)Starting-Grant STORIES,No.101040939。
文摘Due to water conflicts and allocation in the Lancang-Mekong River Basin(LMRB),the spatio-temporal differentiation of total water resources and the natural-human influence need to be clarified.This work investigated LMRB's terrestrial water storage anomaly(TWSA)and its spatio-temporal dynamics during 2002–2020.Considering the effects of natural factors and human activities,the respective contributions of climate variability and human activities to terrestrial water storage change(TWSC)were separated.Results showed that:(1)LMRB's TWSA decreased by 0.3158 cm/a.(2)TWSA showed a gradual increase in distribution from southwest of MRB to middle LMRB and from northeast of LRB to middle LMRB.TWSA positively changed in Myanmar while slightly changed in Laos and China.It negatively changed in Vietnam,Thailand and Cambodia.(3)TWSA components decreased in a descending order of soil moisture,groundwater and precipitation.(4)Natural factors had a substantial and spatial differentiated influence on TWSA over the LMRB.(5)Climate variability contributed 79%of TWSC in the LMRB while human activities contributed 21%with an increasing impact after 2008.The TWSC of upstream basin countries was found to be controlled by climate variability while Vietnam and Cambodia's TWSC has been controlled by human activities since 2012.
基金supported by the National Key Research and Development Program of China(No.2024YFC3506900)Science and Technology Program of Tianjin(No.24ZXZSSS00460)Special Project for Technological Innovation in New Productive Forces of Modern Chinese Medicines(No.24ZXZKSY00010)。
文摘Due to its synergistic effects and reduced side effects,combination therapy has become an important strategy for treating complex diseases.In traditional Chinese medicine(TCM),the“monarch,minister,assistant,envoy”compatibilities theory provides a systematic framework for drug compatibility and has guided the formation of a large number of classic formulas.However,due to the complex compositions and diverse mechanisms of action of TCM,it is difficult to comprehensively reveal its potential synergistic patterns using traditional methods.Synergistic prediction based on molecular compatibility theory provides new ideas for identifying combinations of active compounds in TCM.Compared to resource-intensive traditional experimental methods,artificial intelligence possesses the ability to mine synergistic patterns from multi-omics and structural data,providing an efficient means for modeling and optimizing TCM combinations.This paper systematically reviews the application progress of AI in the synergistic prediction of TCM active compounds and explores the challenges and prospects of its application in modeling combination relationships,thereby contributing to the modernization of TCM theory and methodological innovation.
文摘Pharmaceutical pollution is becoming an increasing threat to aquatic environments since inactive compounds do not break down,and the drug products are accumulated in living organisms.The ability of a drug to dissolve in water(i.e.,LogS)is an important parameter for assessing a drug’s environmental fate,biovailability,and toxicity.LogS is typically measured in a laboratory setting,which can be costly and time-consuming,and does not provide the opportunity to conduct large-scale analyses.This research develops and evaluates machine learning models that can produce LogS estimates and may improve the environmental risk assessments of toxic pharmaceutical pollutants.We used a dataset from the ChEMBL database that contained 8832 molecular compounds.Various data preprocessing and cleaning techniques were applied(i.e.,removing the missing values),we then recorded chemical properties by normalizing and,even,using some feature selection techniques.We evaluated logS with a total of several machine learning and deep learning models,including;linear regression,random forests(RF),support vector machines(SVM),gradient boosting(GBM),and artificial neural networks(ANNs).We assessed model performance using a series of metrics,including root mean square error(RMSE)and mean absolute error(MAE),as well as the coefficient of determination(R^(2)).The findings show that the Least Angle Regression(LAR)model performed the best with an R^(2) value close to 1.0000,confirming high predictive accuracy.The OMP model performed well with good accuracy(R^(2)=0.8727)while remaining computationally cheap,while other models(e.g.,neural networks,random forests)performed well but were too computationally expensive.Finally,to assess the robustness of the results,an error analysis indicated that residuals were evenly distributed around zero,confirming the results from the LAR model.The current research illustrates the potential of AI in anticipating drug solubility,providing support for green pharmaceutical design and environmental risk assessment.Future work should extend predictions to include degradation and toxicity to enhance predictive power and applicability.
基金supported by the National Natural Science Foundation of China(52274055)the Shandong Provincial Natural Science Foundation(ZR2022YQ50)the Taishan Scholar Program of Shandong Province(tsqn202408088)。
文摘Predicting the productivity of multistage fractured horizontal wells plays an important role in exploiting unconventional resources.In recent years,machine learning(ML)models have emerged as a new approach for such studies.However,the scarcity of sufficient real data for model training often leads to imprecise predictions,even though the models trained with real data better characterize geological and engineering features.To tackle this issue,we propose an ML model that can obtain reliable results even with a small amount of data samples.Our model integrates the synthetic minority oversampling technique(SMOTE)to expand the data volume,the support vector machine(SVM)for model training,and the particle swarm optimization(PSO)algorithm for optimizing hyperparameters.To enhance the model performance,we conduct feature fusion and dimensionality reduction.Additionally,we examine the influences of different sample sizes and ML models for training.The proposed model demonstrates higher prediction accuracy and generalization ability,achieving a predicted R^(2)value of up to 0.9 for the test set,compared to the traditional ML techniques with an R^(2)of 0.13.This model accurately predicts the production of fractured horizontal wells even with limited samples,supplying an efficient tool for optimizing the production of unconventional resources.Importantly,the model holds the potential applicability to address similar challenges in other fields constrained by scarce data samples.
文摘Prediction of weaning success from invasive mechanical ventilation remains a challenge in everyday clinical practice.Several prediction scores have been developed to guide success during spontaneous breathing trials to help with weaning decisions.These scores aim to provide a structured framework to support clinical judgment.However,their effectiveness varies across patient populations,and their predictive accuracy remains inconsistent.In this review,we aim to identify the strengths and limitations of commonly used clinical prediction tools in assessing readiness for ventilator liberation.While scores such as the Rapid Shallow Breathing Index and the Integrative Weaning Index are widely adopted,their sensitivity and specificity often fall short in complex clinical settings.Factors such as underlying disease pathophysiology,patient characteristics,and clinician subjectivity impact score performance and reliability.Moreover,disparities in validation across diverse populations limit generalizability.With growing interest in artificial intelligence(AI)and machine learning,there is potential for enhanced prediction models that integrate multidimensional data and adapt to individual patient profiles.However,current AI approaches face challenges related to interpretability,bias,and ethical implementation.This paper underscores the need for more robust,individualized,and transparent prediction systems and advocates for careful integration of emerging technologies into clinical workflows to optimize weaning success and patient outcomes.
