Magnesium-ion batteries hold promise as future energy storage solutions,yet current Mg cathodes are challenged by low voltage and specific capacity.Herein,we present an AI-driven workflow for discovering high-performa...Magnesium-ion batteries hold promise as future energy storage solutions,yet current Mg cathodes are challenged by low voltage and specific capacity.Herein,we present an AI-driven workflow for discovering high-performance Mg cathode materials.Utilizing the common characteristics of various ionic intercalation-type electrodes,we design and train a Crystal Graph Convolutional Neural Network model that can accurately predict electrode voltages for various ions with mean absolute errors(MAE)between0.25 and 0.33 V.By deploying the trained model to stable Mg compounds from Materials Project and GNoME AI dataset,we identify 160 high voltage structures out of 15,308 candidates with voltages above3.0 V and volumetric capacity over 800 mA h/cm^(3).We further train a precise NequIP model to facilitate accurate and rapid simulations of Mg ionic conductivity.From the 160 high voltage structures,the machine learning molecular dynamics simulations have selected 23 cathode materials with both high energy density and high ionic conductivity.This Al-driven workflow dramatically boosts the efficiency and precision of material discovery for multivalent ion batteries,paving the way for advanced Mg battery development.展开更多
Very few studies have benefited from the synergetic implementation of visible,near-infrared,and shortwave infrared(VNIR-SWIR)spectra and terrain attributes in predicting Pb content in agricultural soils.To fill this g...Very few studies have benefited from the synergetic implementation of visible,near-infrared,and shortwave infrared(VNIR-SWIR)spectra and terrain attributes in predicting Pb content in agricultural soils.To fill this gap,this study aimed to predict lead(Pb)contents in agricultural soils by combining machine learning algorithms(MLAs)with VNIR-SWIR spectra or/and terrain attributes under three distinct approaches.Six MLAs were tested,including artificial neural network(ANN),partial least squares regression,support vector machine(SVM),Gaussian process regression(GPR),extreme gradient boosting(EGB),and Cubist.The VNIR-SWIR spectral data were preprocessed by methods of discrete wavelet transformation,logarithmic transformation-Savitzky Golay smoothing,standard normal variate(SNV),multiplicative scatter correction,first derivative(Fi D),and second derivative.In approach 1,MLAs were combined with the preprocessed VNIR-SWIR spectral data.The Cubist-Fi D combination was the most effective,achieving a coefficient of determination(R2)of 0.63,a concordance correlation coefficient(CCC)of 0.51,a mean absolute error(MAE)of 6.87 mg kg^(-1),and a root mean square error(RMSE)of8.66 mg kg^(-1).In approach 2,MLAs were combined with both preprocessed VNIR-SWIR spectral data and terrain attributes,and the EGB-SNV combination yielded superior results with R2of 0.75,CCC of 0.65,MAE of 5.48 mg kg^(-1),and RMSE of 7.34 mg kg^(-1).Approach 3 combined MLAs and terrain attributes,and Cubist demonstrated the best prediction results,with R^(2) of 0.75,CCC of 0.66,MAE of 6.18 mg kg^(-1),and RMSE of 7.71 mg kg^(-1).The cumulative assessment identified the fusion of terrain properties,SNV-preprocessed VNIR-SWIR spectra,and EGB as the optimal method for estimating Pb content in agricultural soils,yielding the highest R2value and minimal error.Comparatively,GPR,ANN,and SVM techniques achieved higher R2values in approaches 2 and 3 but also exhibited higher estimation errors.In conclusion,the study underscores the significance of using relevant auxiliary datasets and appropriate MLAs for accurate Pb content prediction with minimal error in agricultural soils.The findings contribute valuable insights for developing successful soil management strategies based on predictive modeling.展开更多
Estimation of good velocity models under complex near-surface conditions remains a topic of ongoing research.We propose to predict near-surface velocity profiles from surface-waves transformed to phase velocity-freque...Estimation of good velocity models under complex near-surface conditions remains a topic of ongoing research.We propose to predict near-surface velocity profiles from surface-waves transformed to phase velocity-frequency panels in a data-driven manner using deep neural networks.This is a different approach from many recent works that attempt to estimate velocity from directly reflected body waves or guided waves.A secondary objective is to analyze the influence on the prediction accuracy of various commonly employed deep learning practices,such as transfer learning and data augmentations.Through numerical experiments on synthetic data as well as a real geophysical example,we demonstrate that transfer learning as well as data augmentations are helpful when using deep learning for velocity estimation.A third and final objective is to study lack of generalization of deep learning models for out-of-distribution(OOD)data in the context of our problem,and present a novel approach to tackle it.We propose a domain adaptation network for training deep learning models that uses a priori knowledge on the range of velocity values in order to constrain mapping of the output.The final comparison on field data,which was not part of the training data,show the deep neural network predictions compare favorably with a conventional velocity model estimation obtained with a dispersion curve inversion workflow.展开更多
随着大语言模型(LLM)的快速发展,基于LLM的对话助手逐渐成为学生学习的新方式。通过学生的问答互动,对话助手能生成相应的解答,从而帮助学生解决问题,并提高学习效率。然而,现有的对话助手忽略了学生的个性化需求,无法为学生提供个性化...随着大语言模型(LLM)的快速发展,基于LLM的对话助手逐渐成为学生学习的新方式。通过学生的问答互动,对话助手能生成相应的解答,从而帮助学生解决问题,并提高学习效率。然而,现有的对话助手忽略了学生的个性化需求,无法为学生提供个性化的回答,实现“因材施教”。因此,提出一种基于学生能力感知的个性化对话助手框架。该框架包括2个主要模块:学生能力感知模块和个性化回答生成模块。能力感知模块通过分析学生的答题记录来挖掘学生的知识掌握程度,回答生成模块则根据学生的能力生成个性化回答。基于此框架,设计基于指令、基于小模型驱动和基于智能体Agent的3种实现范式,以深入探讨框架的实际效果。基于指令的对话助手利用LLM的推理能力,从学生的答题记录中挖掘知识掌握程度以帮助生成个性化回答;基于小模型驱动的对话助手利用深度知识追踪(DKT)模型生成学生的知识掌握程度;基于Agent的个性化对话助手采用LLM Agent的方式整合学生能力感知、个性化检测、答案修正等工具辅助答案的生成。基于ChatGLM(Chat General Language Model)、GPT4o_mini的对比实验结果表明,应用3种范式的LLM均能为学生提供个性化的回答,其中基于Agent的范式的准确度更高,表明该范式能更好地感知学生能力,并生成个性化回答。展开更多
植物图片包含植物生境、物种组成、形态特征、物候等相关信息,是野外调查和植物记录的重要资料。无人机可按照设定程序定时、定航线拍摄植物,获取植物图片拍摄地的精准位置信息,进而实现周期化的植物拍摄和调查。本图片数据集系于2022–...植物图片包含植物生境、物种组成、形态特征、物候等相关信息,是野外调查和植物记录的重要资料。无人机可按照设定程序定时、定航线拍摄植物,获取植物图片拍摄地的精准位置信息,进而实现周期化的植物拍摄和调查。本图片数据集系于2022–2023年在内蒙古呼伦贝尔湿润草原、锡林浩特典型草原、鄂尔多斯干旱草原选地,依照《草地植物多样性无人机调查技术规范》(T/CSES 123-2023)团体标准,以DJI MINI 3 PRO无人机采集而来,并以人工框选和鉴定为主、目标检测和智能识别模型处理为辅的方式进行了图像中的植物框选和鉴定。本数据集包含了19科32属40种植物的4000幅图片、植物物种名称、植物科属信息、采集时间、采集点海拔、经纬度。本数据集可以为相关草地植物的形态、分布、物候等信息检索以及智能识别模型构建提供数据支撑。展开更多
基金supported by the National Key R&D Program of China(2022YFA1203400)the National Natural Science Foundation of China(W2441009)。
文摘Magnesium-ion batteries hold promise as future energy storage solutions,yet current Mg cathodes are challenged by low voltage and specific capacity.Herein,we present an AI-driven workflow for discovering high-performance Mg cathode materials.Utilizing the common characteristics of various ionic intercalation-type electrodes,we design and train a Crystal Graph Convolutional Neural Network model that can accurately predict electrode voltages for various ions with mean absolute errors(MAE)between0.25 and 0.33 V.By deploying the trained model to stable Mg compounds from Materials Project and GNoME AI dataset,we identify 160 high voltage structures out of 15,308 candidates with voltages above3.0 V and volumetric capacity over 800 mA h/cm^(3).We further train a precise NequIP model to facilitate accurate and rapid simulations of Mg ionic conductivity.From the 160 high voltage structures,the machine learning molecular dynamics simulations have selected 23 cathode materials with both high energy density and high ionic conductivity.This Al-driven workflow dramatically boosts the efficiency and precision of material discovery for multivalent ion batteries,paving the way for advanced Mg battery development.
基金supported by an institutional Ph.D.grant(No.21130/1312/3131)from the Faculty of Agrobiology,Food,and Natural Resources at the Czech University of Life Sciences Prague(CZU),Czech Republic。
文摘Very few studies have benefited from the synergetic implementation of visible,near-infrared,and shortwave infrared(VNIR-SWIR)spectra and terrain attributes in predicting Pb content in agricultural soils.To fill this gap,this study aimed to predict lead(Pb)contents in agricultural soils by combining machine learning algorithms(MLAs)with VNIR-SWIR spectra or/and terrain attributes under three distinct approaches.Six MLAs were tested,including artificial neural network(ANN),partial least squares regression,support vector machine(SVM),Gaussian process regression(GPR),extreme gradient boosting(EGB),and Cubist.The VNIR-SWIR spectral data were preprocessed by methods of discrete wavelet transformation,logarithmic transformation-Savitzky Golay smoothing,standard normal variate(SNV),multiplicative scatter correction,first derivative(Fi D),and second derivative.In approach 1,MLAs were combined with the preprocessed VNIR-SWIR spectral data.The Cubist-Fi D combination was the most effective,achieving a coefficient of determination(R2)of 0.63,a concordance correlation coefficient(CCC)of 0.51,a mean absolute error(MAE)of 6.87 mg kg^(-1),and a root mean square error(RMSE)of8.66 mg kg^(-1).In approach 2,MLAs were combined with both preprocessed VNIR-SWIR spectral data and terrain attributes,and the EGB-SNV combination yielded superior results with R2of 0.75,CCC of 0.65,MAE of 5.48 mg kg^(-1),and RMSE of 7.34 mg kg^(-1).Approach 3 combined MLAs and terrain attributes,and Cubist demonstrated the best prediction results,with R^(2) of 0.75,CCC of 0.66,MAE of 6.18 mg kg^(-1),and RMSE of 7.71 mg kg^(-1).The cumulative assessment identified the fusion of terrain properties,SNV-preprocessed VNIR-SWIR spectra,and EGB as the optimal method for estimating Pb content in agricultural soils,yielding the highest R2value and minimal error.Comparatively,GPR,ANN,and SVM techniques achieved higher R2values in approaches 2 and 3 but also exhibited higher estimation errors.In conclusion,the study underscores the significance of using relevant auxiliary datasets and appropriate MLAs for accurate Pb content prediction with minimal error in agricultural soils.The findings contribute valuable insights for developing successful soil management strategies based on predictive modeling.
文摘Estimation of good velocity models under complex near-surface conditions remains a topic of ongoing research.We propose to predict near-surface velocity profiles from surface-waves transformed to phase velocity-frequency panels in a data-driven manner using deep neural networks.This is a different approach from many recent works that attempt to estimate velocity from directly reflected body waves or guided waves.A secondary objective is to analyze the influence on the prediction accuracy of various commonly employed deep learning practices,such as transfer learning and data augmentations.Through numerical experiments on synthetic data as well as a real geophysical example,we demonstrate that transfer learning as well as data augmentations are helpful when using deep learning for velocity estimation.A third and final objective is to study lack of generalization of deep learning models for out-of-distribution(OOD)data in the context of our problem,and present a novel approach to tackle it.We propose a domain adaptation network for training deep learning models that uses a priori knowledge on the range of velocity values in order to constrain mapping of the output.The final comparison on field data,which was not part of the training data,show the deep neural network predictions compare favorably with a conventional velocity model estimation obtained with a dispersion curve inversion workflow.
文摘随着大语言模型(LLM)的快速发展,基于LLM的对话助手逐渐成为学生学习的新方式。通过学生的问答互动,对话助手能生成相应的解答,从而帮助学生解决问题,并提高学习效率。然而,现有的对话助手忽略了学生的个性化需求,无法为学生提供个性化的回答,实现“因材施教”。因此,提出一种基于学生能力感知的个性化对话助手框架。该框架包括2个主要模块:学生能力感知模块和个性化回答生成模块。能力感知模块通过分析学生的答题记录来挖掘学生的知识掌握程度,回答生成模块则根据学生的能力生成个性化回答。基于此框架,设计基于指令、基于小模型驱动和基于智能体Agent的3种实现范式,以深入探讨框架的实际效果。基于指令的对话助手利用LLM的推理能力,从学生的答题记录中挖掘知识掌握程度以帮助生成个性化回答;基于小模型驱动的对话助手利用深度知识追踪(DKT)模型生成学生的知识掌握程度;基于Agent的个性化对话助手采用LLM Agent的方式整合学生能力感知、个性化检测、答案修正等工具辅助答案的生成。基于ChatGLM(Chat General Language Model)、GPT4o_mini的对比实验结果表明,应用3种范式的LLM均能为学生提供个性化的回答,其中基于Agent的范式的准确度更高,表明该范式能更好地感知学生能力,并生成个性化回答。
文摘植物图片包含植物生境、物种组成、形态特征、物候等相关信息,是野外调查和植物记录的重要资料。无人机可按照设定程序定时、定航线拍摄植物,获取植物图片拍摄地的精准位置信息,进而实现周期化的植物拍摄和调查。本图片数据集系于2022–2023年在内蒙古呼伦贝尔湿润草原、锡林浩特典型草原、鄂尔多斯干旱草原选地,依照《草地植物多样性无人机调查技术规范》(T/CSES 123-2023)团体标准,以DJI MINI 3 PRO无人机采集而来,并以人工框选和鉴定为主、目标检测和智能识别模型处理为辅的方式进行了图像中的植物框选和鉴定。本数据集包含了19科32属40种植物的4000幅图片、植物物种名称、植物科属信息、采集时间、采集点海拔、经纬度。本数据集可以为相关草地植物的形态、分布、物候等信息检索以及智能识别模型构建提供数据支撑。
