基于Gaussian、ECOSAR模型的紫外/次氯酸体系降解含卤阻燃剂的产物预测与毒性评估

含卤阻燃剂广泛应用于各类电子产品的生产,难降解且具有生物毒性.在生产和使用过程中,部分含卤阻燃剂会残留在水体并排放到水环境造成累积污染,威胁水环境安全,亟需探寻有效的降解去毒方法.本研究通过Gaussian与ECOSAR模型预测了四氯双酚A(TCBPA)、四溴双酚A(TBBPA)、十溴二苯乙烷(DBDPE)等3种典型含卤阻燃剂在紫外/次氯酸(UV/Cl)体系中的光催氧化降解路径与产物毒性.结果表明,UV/Cl体系中的含氯自由基(RCS)与羟基自由基(·OH)易攻击阻燃剂分子结构上键能较低、Fukui指数较高的位点,促使C—Cl键、C—Br键、C—C键等因为受到攻击而断裂,进而降解阻燃剂.同时,利用ECOSAR模型评估发现降解产物的急性毒性LC_(50)-96 h均低于100 mg·L^(-1),佐证了UV/Cl体系对含卤阻燃剂降解的有效性,并降低其环境危害.因此,采用Gaussian计算、ECOSAR模型相结合的分析方法,能够更加便捷地预测阻燃剂降解路径与产物毒性特征,为深入揭示UV/Cl体系光催氧化降解含卤阻燃剂机理提供新思路.

Improved Data Stream Clustering Method: Incorporating KD-Tree for Typicality and Eccentricity-Based Approach

Data stream clustering is integral to contemporary big data applications.However,addressing the ongoing influx of data streams efficiently and accurately remains a primary challenge in current research.This paper aims to elevate the efficiency and precision of data stream clustering,leveraging the TEDA(Typicality and Eccentricity Data Analysis)algorithm as a foundation,we introduce improvements by integrating a nearest neighbor search algorithm to enhance both the efficiency and accuracy of the algorithm.The original TEDA algorithm,grounded in the concept of“Typicality and Eccentricity Data Analytics”,represents an evolving and recursive method that requires no prior knowledge.While the algorithm autonomously creates and merges clusters as new data arrives,its efficiency is significantly hindered by the need to traverse all existing clusters upon the arrival of further data.This work presents the NS-TEDA(Neighbor Search Based Typicality and Eccentricity Data Analysis)algorithm by incorporating a KD-Tree(K-Dimensional Tree)algorithm integrated with the Scapegoat Tree.Upon arrival,this ensures that new data points interact solely with clusters in very close proximity.This significantly enhances algorithm efficiency while preventing a single data point from joining too many clusters and mitigating the merging of clusters with high overlap to some extent.We apply the NS-TEDA algorithm to several well-known datasets,comparing its performance with other data stream clustering algorithms and the original TEDA algorithm.The results demonstrate that the proposed algorithm achieves higher accuracy,and its runtime exhibits almost linear dependence on the volume of data,making it more suitable for large-scale data stream analysis research.

基于KD-Tree与DBSCAN的水电机组状态监测数据清洗方法

针对水电机组状态监测数据量逐步增大,数据质量差的问题,提出了一种基于改进K维树(K-Dimensional Tree,KD-Tree)与基于密度的空间聚类算法(Density-Based Spatial Clustering of Applications with Noise,DBSCAN)的水电机组状态监测数据清洗方法,首先对输入数据建立KD-Tree,再使用DBSCAN在最近邻样本上扫描完成聚类,聚类结束以后会分离出噪声点,将噪声点去除即可完成对水电机组状态监测数据清洗。选取某水电站状态监测系统上导摆度数据1 088条,再以相同时间间隔插入随机数据100条,通过算例与常规DBScan、K-means、OCSVM算法对比聚类性能与时间性能,所提出的方法识别正确率最高,为97.78%,消耗时间最少,为0.007 732 s,数据清洗效果最优,并可以大幅减少计算时间。

Density Clustering Algorithm Based on KD-Tree and Voting Rules

Traditional clustering algorithms often struggle to produce satisfactory results when dealing with datasets withuneven density. Additionally, they incur substantial computational costs when applied to high-dimensional datadue to calculating similarity matrices. To alleviate these issues, we employ the KD-Tree to partition the dataset andcompute the K-nearest neighbors (KNN) density for each point, thereby avoiding the computation of similaritymatrices. Moreover, we apply the rules of voting elections, treating each data point as a voter and casting a votefor the point with the highest density among its KNN. By utilizing the vote counts of each point, we develop thestrategy for classifying noise points and potential cluster centers, allowing the algorithm to identify clusters withuneven density and complex shapes. Additionally, we define the concept of “adhesive points” between two clustersto merge adjacent clusters that have similar densities. This process helps us identify the optimal number of clustersautomatically. Experimental results indicate that our algorithm not only improves the efficiency of clustering butalso increases its accuracy.

Reliable calculations of nuclear binding energies by the Gaussian process of machine learning

Reliable calculations of nuclear binding energies are crucial for advancing the research of nuclear physics. Machine learning provides an innovative approach to exploring complex physical problems. In this study, the nuclear binding energies are modeled directly using a machine-learning method called the Gaussian process. First, the binding energies for 2238 nuclei with Z > 20 and N > 20 are calculated using the Gaussian process in a physically motivated feature space, yielding an average deviation of 0.046 MeV and a standard deviation of 0.066 MeV. The results show the good learning ability of the Gaussian process in the studies of binding energies. Then, the predictive power of the Gaussian process is studied by calculating the binding energies for 108 nuclei newly included in AME2020. The theoretical results are in good agreement with the experimental data, reflecting the good predictive power of the Gaussian process. Moreover, the α-decay energies for 1169 nuclei with 50 ≤ Z ≤ 110 are derived from the theoretical binding energies calculated using the Gaussian process. The average deviation and the standard deviation are, respectively, 0.047 MeV and 0.070 MeV. Noticeably, the calculated α-decay energies for the two new isotopes ^ (204 )Ac(Huang et al. Phys Lett B 834, 137484(2022)) and ^ (207) Th(Yang et al. Phys Rev C 105, L051302(2022)) agree well with the latest experimental data. These results demonstrate that the Gaussian process is reliable for the calculations of nuclear binding energies. Finally, the α-decay properties of some unknown actinide nuclei are predicted using the Gaussian process. The predicted results can be useful guides for future research on binding energies and α-decay properties.

MULTIPLE INTERSECTIONS OF SPACE-TIME ANISOTROPIC GAUSSIAN FIELDS

Let X={X(t)∈R^(d),t∈R^(N)}be a centered space-time anisotropic Gaussian field with indices H=(H_(1),…,H_(N))∈(0,1)~N,where the components X_(i)(i=1,…,d)of X are independent,and the canonical metric√(E(X_(i)(t)-X_(i)(s))^(2))^(1/2)(i=1,…,d)is commensurate with■for s=(s_(1),…,s_(N)),t=(t_(1),…,t_(N))∈R~N,α_(i)∈(0,1],and with the continuous functionγ(·)satisfying certain conditions.First,the upper and lower bounds of the hitting probabilities of X can be derived from the corresponding generalized Hausdorff measure and capacity,which are based on the kernel functions depending explicitly onγ(·).Furthermore,the multiple intersections of the sample paths of two independent centered space-time anisotropic Gaussian fields with different distributions are considered.Our results extend the corresponding results for anisotropic Gaussian fields to a large class of space-time anisotropic Gaussian fields.

Application of Gaussian Beam Summation Migration in Reflected In-seam Wave Imaging

The geological conditions for coal mining in China are complex,with various structural issues such as faults and collapsed columns seriously compromising the safety of coal mine production.In-seam wave exploration is an effective technique for acquiring detailed information on geological structures in coal seam working faces.However,the existing reflected in-seam wave imaging technique can no longer meet the exploration precision requirements,making it imperative to develop a new reflected in-seam wave imaging technique.This study applies the Gaussian beam summation(GBS)migration method to imaging coal seams'reflected in-seam wave data.Firstly,with regard to the characteristics of the reflected in-seam wave data,methods such as wavefield removal and enveloped superposition are employed for the corresponding wavefield separation,wave train compression and other processing of reflected in-seam waves.Thereafter,imaging is performed using the GBS migration technique.The feasibility and effectiveness of the proposed method for reflected in-seam wave imaging are validated by conducting GBS migration tests on 3D coal-seam fault models with different dip angles and throws.By applying the method to reflected in-seam wave data for an actual coal seam working face,accurate imaging of a fault structure is obtained,thereby validating its practicality.

Bessel–Gaussian beam-based orbital angular momentum holography

Orbital angular momentum(OAM), as a new degree of freedom, has recently been applied in holography technology.Due to the infinite helical mode index of OAM mode, a large number of holographic images can be reconstructed from an OAM-multiplexing hologram. However, the traditional design of an OAM hologram is constrained by the helical mode index of the selected OAM mode, for a larger helical mode index OAM mode has a bigger sampling distance, and the crosstalk is produced for different sampling distances for different OAM modes. In this paper, we present the design of the OAM hologram based on a Bessel–Gaussian beam, which is non-diffractive and has a self-healing property during its propagation. The Fourier transform of the Bessel–Gaussian beam is the perfect vortex mode that has the fixed ring radius for different OAM modes. The results of simulation and experiment have demonstrated the feasibility of the generation of the OAM hologram with the Bessel–Gaussian beam. The quality of the reconstructed holographic image is increased, and the security is enhanced. Additionally, the anti-interference property is improved owing to its self-healing property of the Bessel-OAM holography.

Quantum correlations and entanglement in coupled optomechanical resonators with photon hopping via Gaussian interferometric power analysis

Quantum correlations that surpass entanglement are of great importance in the realms of quantum information processing and quantum computation.Essentially,for quantum systems prepared in pure states,it is difficult to differentiate between quantum entanglement and quantum correlation.Nonetheless,this indistinguishability is no longer holds for mixed states.To contribute to a better understanding of this differentiation,we have explored a simple model for both generating and measuring these quantum correlations.Our study concerns two macroscopic mechanical resonators placed in separate Fabry–Pérot cavities,coupled through the photon hopping process.this system offers a comprehensively way to investigate and quantify quantum correlations beyond entanglement between these mechanical modes.The key ingredient in analyzing quantum correlation in this system is the global covariance matrix.It forms the basis for computing two essential metrics:the logarithmic negativity(E_(N)^(m))and the Gaussian interferometric power(P_(G)^(m)).These metrics provide the tools to measure the degree of quantum entanglement and quantum correlations,respectively.Our study reveals that the Gaussian interferometric power(P_(G)^(m))proves to be a more suitable metric for characterizing quantum correlations among the mechanical modes in an optomechanical quantum system,particularly in scenarios featuring resilient photon hopping.

Operational optimization of copper flotation process based on the weighted Gaussian process regression and index-oriented adaptive differential evolution algorithm

Concentrate copper grade(CCG)is one of the important production indicators of copper flotation processes,and keeping the CCG at the set value is of great significance to the economic benefit of copper flotation industrial processes.This paper addresses the fluctuation problem of CCG through an operational optimization method.Firstly,a density-based affinity propagationalgorithm is proposed so that more ideal working condition categories can be obtained for the complex raw ore properties.Next,a Bayesian network(BN)is applied to explore the relationship between the operational variables and the CCG.Based on the analysis results of BN,a weighted Gaussian process regression model is constructed to predict the CCG that a higher prediction accuracy can be obtained.To ensure the predicted CCG is close to the set value with a smaller magnitude of the operation adjustments and a smaller uncertainty of the prediction results,an index-oriented adaptive differential evolution(IOADE)algorithm is proposed,and the convergence performance of IOADE is superior to the traditional differential evolution and adaptive differential evolution methods.Finally,the effectiveness and feasibility of the proposed methods are verified by the experiments on a copper flotation industrial process.

Persymmetric adaptive polarimetric detection of subspace range-spread targets in compound Gaussian sea clutter

This paper focuses on the adaptive detection of range and Doppler dual-spread targets in non-homogeneous and nonGaussian sea clutter.The sea clutter from two polarimetric channels is modeled as a compound-Gaussian model with different parameters,and the target is modeled as a subspace rangespread target model.The persymmetric structure is used to model the clutter covariance matrix,in order to reduce the reliance on secondary data of the designed detectors.Three adaptive polarimetric persymmetric detectors are designed based on the generalized likelihood ratio test(GLRT),Rao test,and Wald test.All the proposed detectors have constant falsealarm rate property with respect to the clutter texture,the speckle covariance matrix.Experimental results on simulated and measured data show that three adaptive detectors outperform the competitors in different clutter environments,and the proposed GLRT detector has the best detection performance under different parameters.

MAXIMAL FUNCTION CHARACTERIZATIONS OF HARDY SPACES ASSOCIATED WITH BOTH NON-NEGATIVE SELF-ADJOINT OPERATORS SATISFYING GAUSSIAN ESTIMATES AND BALL QUASI-BANACH FUNCTION SPACES

Assume that L is a non-negative self-adjoint operator on L^(2)(ℝ^(n))with its heat kernels satisfying the so-called Gaussian upper bound estimate and that X is a ball quasi-Banach function space onℝ^(n) satisfying some mild assumptions.Let HX,L(ℝ^(n))be the Hardy space associated with both X and L,which is defined by the Lusin area function related to the semigroup generated by L.In this article,the authors establish various maximal function characterizations of the Hardy space HX,L(ℝ^(n))and then apply these characterizations to obtain the solvability of the related Cauchy problem.These results have a wide range of generality and,in particular,the specific spaces X to which these results can be applied include the weighted space,the variable space,the mixed-norm space,the Orlicz space,the Orlicz-slice space,and the Morrey space.Moreover,the obtained maximal function characterizations of the mixed-norm Hardy space,the Orlicz-slice Hardy space,and the Morrey-Hardy space associated with L are completely new.

Optimization of Generator Based on Gaussian Process Regression Model with Conditional Likelihood Lower Bound Search

The noise that comes from finite element simulation often causes the model to fall into the local optimal solution and over fitting during optimization of generator.Thus,this paper proposes a Gaussian Process Regression(GPR)model based on Conditional Likelihood Lower Bound Search(CLLBS)to optimize the design of the generator,which can filter the noise in the data and search for global optimization by combining the Conditional Likelihood Lower Bound Search method.Taking the efficiency optimization of 15 kW Permanent Magnet Synchronous Motor as an example.Firstly,this method uses the elementary effect analysis to choose the sensitive variables,combining the evolutionary algorithm to design the super Latin cube sampling plan;Then the generator-converter system is simulated by establishing a co-simulation platform to obtain data.A Gaussian process regression model combing the method of the conditional likelihood lower bound search is established,which combined the chi-square test to optimize the accuracy of the model globally.Secondly,after the model reaches the accuracy,the Pareto frontier is obtained through the NSGA-II algorithm by considering the maximum output torque as a constraint.Last,the constrained optimization is transformed into an unconstrained optimizing problem by introducing maximum constrained improvement expectation(CEI)optimization method based on the re-interpolation model,which cross-validated the optimization results of the Gaussian process regression model.The above method increase the efficiency of generator by 0.76%and 0.5%respectively;And this method can be used for rapid modeling and multi-objective optimization of generator systems.

基于线索KD-Tree的射线追踪并行计算

针对射线追踪过程中,由于射线数目巨大、部分目标场景复杂,造成计算效率低下的问题,采用线索KD-Tree (K-dimensional tree)空间加速算法,将目标场景进行有序组织,通过对线索KD-Tree进行无堆栈遍历,加快射线与目标场景求交的计算速度。为解决传统方法中,串行计算射线与目标求交过程中造成待遍历射线多的问题,采用图形处理器(graphics processing unit, GPU)在统一计算设备架构(compute unified device architecture, CUDA)平台下并行处理所有射线,加快计算速度。实例仿真计算结果表明,基于线索KD-Tree的射线追踪并行计算相比于串行计算,计算效率提高,获得了很好的加速效果。

Gaussian和Multiwfn软件在计算制冷剂介电常数中的应用

物理化学的主要研究内容之一是化学体系的微观结构和性质。介电常数是物质的重要物理量,与物质的电子结构紧密相关。结合物理化学分析方法,利用Gaussian和Multiwfn软件对制冷剂材料的介电常数进行了探究,并与相应的实验值进行了对比分析。通过结合分子可视化和量子化学计算软件,提高了化学教学的生动性,将该研究方法用于课堂教学,激发学生的研究兴趣,有利于学生对相关知识的理解。

基于格林函数法研究分数阶Bessel-Gaussian光束近场传输

为揭示FBG(fractional-order Bessel-Gaussian)光束在近场传输时的光强和相位演化情况,基于光传播的独立性和叠加性原理,通过引入虚光源点,并结合格林函数法,严格推导了FBG光束的非傍轴积分表达式,并进一步利用非傍轴下的各阶修正解,精确计算了FBG光束轴上的光强分布.计算结果表明:对于分数阶Bessel-Gaussian光束的远场传输,利用经典的傍轴近似理论可以得到准确的计算结果,但在近场传输时,傍轴近似理论的计算结果误差很大,只有利用非傍轴修正解才能精确研究FBG光束的近场光学传输.研究结果为将FBG光束更好地应用于近场光学奠定必要的理论基础.

Designing Pair of Nonlinear Components of a Block Cipher over Gaussian Integers

In block ciphers,the nonlinear components,also known as sub-stitution boxes(S-boxes),are used with the purpose of inducing confusion in cryptosystems.For the last decade,most of the work on designing S-boxes over the points of elliptic curves has been published.The main purpose of these studies is to hide data and improve the security levels of crypto algorithms.In this work,we design pair of nonlinear components of a block cipher over the residue class of Gaussian integers(GI).The fascinating features of this structure provide S-boxes pair at a time by fixing three parameters.But the prime field dependent on the Elliptic curve(EC)provides one S-box at a time by fixing three parameters a,b,and p.The newly designed pair of S-boxes are assessed by various tests like nonlinearity,bit independence criterion,strict avalanche criterion,linear approximation probability,and differential approximation probability.

A Robust Indoor Localization Algorithm Based on Polynomial Fitting and Gaussian Mixed Model

Wireless sensor network(WSN)positioning has a good effect on indoor positioning,so it has received extensive attention in the field of positioning.Non-line-of sight(NLOS)is a primary challenge in indoor complex environment.In this paper,a robust localization algorithm based on Gaussian mixture model and fitting polynomial is proposed to solve the problem of NLOS error.Firstly,fitting polynomials are used to predict the measured values.The residuals of predicted and measured values are clustered by Gaussian mixture model(GMM).The LOS probability and NLOS probability are calculated according to the clustering centers.The measured values are filtered by Kalman filter(KF),variable parameter unscented Kalman filter(VPUKF)and variable parameter particle filter(VPPF)in turn.The distance value processed by KF and VPUKF and the distance value processed by KF,VPUKF and VPPF are combined according to probability.Finally,the maximum likelihood method is used to calculate the position coordinate estimation.Through simulation comparison,the proposed algorithm has better positioning accuracy than several comparison algorithms in this paper.And it shows strong robustness in strong NLOS environment.

A blast furnace fault monitoring algorithm with low false alarm rate:Ensemble of greedy dynamic principal component analysis-Gaussian mixture model

The large blast furnace is essential equipment in the process of iron and steel manufacturing. Due to the complex operation process and frequent fluctuations of variables, conventional monitoring methods often bring false alarms. To address the above problem, an ensemble of greedy dynamic principal component analysis-Gaussian mixture model(EGDPCA-GMM) is proposed in this paper. First, PCA-GMM is introduced to deal with the collinearity and the non-Gaussian distribution of blast furnace data.Second, in order to explain the dynamics of data, the greedy algorithm is used to determine the extended variables and their corresponding time lags, so as to avoid introducing unnecessary noise. Then the bagging ensemble is adopted to cooperate with greedy extension to eliminate the randomness brought by the greedy algorithm and further reduce the false alarm rate(FAR) of monitoring results. Finally, the algorithm is applied to the blast furnace of a large iron and steel group in South China to verify performance.Compared with the basic algorithms, the proposed method achieves lowest FAR, while keeping missed alarm rate(MAR) remain stable.

Fast Remaining Capacity Estimation for Lithium-ion Batteries Based on Short-time Pulse Test and Gaussian Process Regression

It remains challenging to effectively estimate the remaining capacity of the secondary lithium-ion batteries that have been widely adopted for consumer electronics,energy storage,and electric vehicles.Herein,by integrating regular real-time current short pulse tests with data-driven Gaussian process regression algorithm,an efficient battery estimation has been successfully developed and validated for batteries with capacity ranging from 100%of the state of health(SOH)to below 50%,reaching an average accuracy as high as 95%.Interestingly,the proposed pulse test strategy for battery capacity measurement could reduce test time by more than 80%compared with regular long charge/discharge tests.The short-term features of the current pulse test were selected for an optimal training process.Data at different voltage stages and state of charge(SOC)are collected and explored to find the most suitable estimation model.In particular,we explore the validity of five different machine-learning methods for estimating capacity driven by pulse features,whereas Gaussian process regression with Matern kernel performs the best,providing guidance for future exploration.The new strategy of combining short pulse tests with machine-learning algorithms could further open window for efficiently forecasting lithium-ion battery remaining capacity.