异常检测一直是数据挖掘领域的重要工作之一。基于欧氏距离的异常检测算法在应用于高维数据时存在检测精度无法保证和运行时间过长的问题。在基于角度方差的异常检测算法基础上,提出了一种多层次的高维数据异常检测算法(hybrid outlier ...异常检测一直是数据挖掘领域的重要工作之一。基于欧氏距离的异常检测算法在应用于高维数据时存在检测精度无法保证和运行时间过长的问题。在基于角度方差的异常检测算法基础上,提出了一种多层次的高维数据异常检测算法(hybrid outlier detection algorithm based on angle variance for high-dimensional data,HODA)。算法结合了粗糙集理论,分析属性之间的相互作用以排除影响较小的属性;通过分析各维度上的数据分布,对数据进行网格划分,寻找可能存在异常点的网格;最后对可能存在异常点的网格计算角度方差异常因子,筛选异常数据。实验结果表明,与ABOD、Fast VOA和经典LOF算法相比,HODA算法在保证精测精度的前提下,运行时间显著缩短,且可扩展性强。展开更多
The concept of all-solid-state batteries provides an efficient solution towards highly safe and long-life energy storage,while the electrolyte-related challenges impede their practical application.Li1+xAlxTi2-xP3O12(0...The concept of all-solid-state batteries provides an efficient solution towards highly safe and long-life energy storage,while the electrolyte-related challenges impede their practical application.Li1+xAlxTi2-xP3O12(0≤x≤1)with superior Li ionic conductivity holds the promise as an ideal solidstate electrolyte.The intrinsic mechanism to reach the most optimum ionic conductivity in Al-doped Li1+xAlxTi2-xP3O12,however,is unclear to date.Herein,this work intends to provide an atomic scale study on the Li-ion transport in Li1+xAlxTi2-xP3O12electrolyte to rationalize how Al-dopant initiates interstitial Li activity and facilitate their easy mobility combining Density Functional Theory(DFT)and ab initio Molecular dynamics(AIMD)simulations.It is discovered that the interstitial Li ions introduced by Al dopants can effectively activate the neighboring occupied intrinsic Li-ions to induce a long-range mobility in the lattice and the maximum Li ionic conductivity is achieved at 0.50 Al doping concentration.The Li-ion migration paths in Li1+xAlxTi2-xP3O12have investigated as the degree of distortion of[PO4]tetrahedra and[TiO6]octahedra resulted by different Al doping concentrations.The asymmetry of the surrounding distorted[PO4]and[TiO6]polyhedrons play a critical role in reducing the migration barrier of Li ions in Li1+xAlxTi2-xP3O12.The flexible[Ti O6]polyhedrons with a capacity to accommodate the structural distortion govern the Li ionic conductivity in Li1+xAlxTi2-xP3O12.This work rationalizes the mechanism for the most optimum Li ionic conductivity in Al-doped Li Ti2P3O12electrolyte and,more importantly,paves a road for exploring novel all-solid-state lithium battery electrolytes.展开更多
文摘异常检测一直是数据挖掘领域的重要工作之一。基于欧氏距离的异常检测算法在应用于高维数据时存在检测精度无法保证和运行时间过长的问题。在基于角度方差的异常检测算法基础上,提出了一种多层次的高维数据异常检测算法(hybrid outlier detection algorithm based on angle variance for high-dimensional data,HODA)。算法结合了粗糙集理论,分析属性之间的相互作用以排除影响较小的属性;通过分析各维度上的数据分布,对数据进行网格划分,寻找可能存在异常点的网格;最后对可能存在异常点的网格计算角度方差异常因子,筛选异常数据。实验结果表明,与ABOD、Fast VOA和经典LOF算法相比,HODA算法在保证精测精度的前提下,运行时间显著缩短,且可扩展性强。
基金supported by the honored scholarship of Queensland University of Technology,Australian Research Council(ARC)through ARC Future Fellowship projects(FT 160100281 and FT180100387)ARC Discovery Project(DP160102627)。
文摘The concept of all-solid-state batteries provides an efficient solution towards highly safe and long-life energy storage,while the electrolyte-related challenges impede their practical application.Li1+xAlxTi2-xP3O12(0≤x≤1)with superior Li ionic conductivity holds the promise as an ideal solidstate electrolyte.The intrinsic mechanism to reach the most optimum ionic conductivity in Al-doped Li1+xAlxTi2-xP3O12,however,is unclear to date.Herein,this work intends to provide an atomic scale study on the Li-ion transport in Li1+xAlxTi2-xP3O12electrolyte to rationalize how Al-dopant initiates interstitial Li activity and facilitate their easy mobility combining Density Functional Theory(DFT)and ab initio Molecular dynamics(AIMD)simulations.It is discovered that the interstitial Li ions introduced by Al dopants can effectively activate the neighboring occupied intrinsic Li-ions to induce a long-range mobility in the lattice and the maximum Li ionic conductivity is achieved at 0.50 Al doping concentration.The Li-ion migration paths in Li1+xAlxTi2-xP3O12have investigated as the degree of distortion of[PO4]tetrahedra and[TiO6]octahedra resulted by different Al doping concentrations.The asymmetry of the surrounding distorted[PO4]and[TiO6]polyhedrons play a critical role in reducing the migration barrier of Li ions in Li1+xAlxTi2-xP3O12.The flexible[Ti O6]polyhedrons with a capacity to accommodate the structural distortion govern the Li ionic conductivity in Li1+xAlxTi2-xP3O12.This work rationalizes the mechanism for the most optimum Li ionic conductivity in Al-doped Li Ti2P3O12electrolyte and,more importantly,paves a road for exploring novel all-solid-state lithium battery electrolytes.
