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Object classification in analytical chemistry via data-driven discovery of partial differential equations 通过偏微分方程的数据驱动发现在分析化学中的对象分类
Q3 MATHEMATICS, APPLIED Pub Date : 2021-04-04 DOI: 10.1002/cmm4.1164
Joshua Lee Padgett, Yusup Geldiyev, Sakshi Gautam, Wenjing Peng, Yehia Mechref, Akif Ibraguimov

Glycans are one of the most widely investigated biomolecules, due to their roles in numerous vital biological processes. However, few system-independent, LC-MS/MS (liquid chromatography tandem mass spectrometry) based studies have been developed with this particular goal. Standard approaches generally rely on normalized retention times as well as m/z-mass to charge ratios of ion values. Due to these limitations, there is need for quantitative characterization methods which can be used independently of m/z values, thus utilizing only normalized retention times. As such, the primary goal of this article is to construct an LC-MS/MS based classification of the glycans derived from standard glycoproteins and human blood serum using a glucose unit index as the reference frame in the space of compound parameters. For the reference frame, we develop a closed-form analytic formula via the Green's function of a relevant convection-diffusion-absorption equation used to model composite material transport. The aforementioned equation is derived from an Einstein–Brownian motion paradigm, which provides a physical interpretation of the time-dependence at the point of observation for molecular transport in the experiment. The necessary coefficients are determined via a data-driven learning procedure. The methodology is presented in an abstractly and validated via comparison with experimental mass spectrometer data.

聚糖是研究最广泛的生物分子之一,因为它们在许多重要的生物过程中起作用。然而,很少有系统无关的,基于LC-MS/MS(液相色谱串联质谱)的研究已经发展到这个特定的目标。标准方法通常依赖于标准化的保留时间以及离子值的m/z质量与电荷比。由于这些限制,需要能够独立于m/z值使用的定量表征方法,从而仅利用标准化的保留时间。因此,本文的主要目标是在化合物参数空间中以葡萄糖单位指数为参考框架,构建基于LC-MS/MS的标准糖蛋白和人血清中多糖的分类。对于参考框架,我们通过用于模拟复合材料输运的相关对流-扩散-吸收方程的格林函数建立了封闭形式的解析公式。上述方程来源于爱因斯坦-布朗运动范式,它提供了实验中分子输运观察点的时间依赖性的物理解释。必要的系数是通过数据驱动的学习过程确定的。本文简要介绍了该方法,并与实验质谱仪数据进行了对比验证。
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引用次数: 3
A fractional model of Casson fluid with ramped wall temperature: Engineering applications of engine oil 壁面温度变缓的卡森流体的分数模型:发动机润滑油的工程应用
Q3 MATHEMATICS, APPLIED Pub Date : 2021-03-30 DOI: 10.1002/cmm4.1162
Muhammad Arif, Poom Kumam, Wiyada Kumam, Ilyas Khan, Muhammad Ramzan

This study is focused to discuss the applications of non-Newtonian fluid in engineering problems. In this article magneto-hydrodynamics Casson fluid have taken with ramped temperature along an infinite plate with oscillations. In addition, in the present study we have considered the effect of porous media, chemical reaction, and radiation. Mostly, non-Newtonian fluids uses for the lubrication purposes such as, engine oil, grease, and so forth. In the present study engine oil EO is selected as base fluid due to enormous applications in engineering. To enhance the rate of heat transfer two nanoparticles molybdenum disulfide (MoS2) and graphene oxide (GO) dispersed in EO. To transform the classical model into time fractional model Caputo–Fabrizio derivative have been used. To obtain the exact solutions for the proposed problem the Laplace transform is used. The solutions are depicted through graphs for various parameters to show the influence on fluid flow. Finally, we have compared the rate of heat transfer using different nanoparticles. It is worth noting that by using (MoS2) nanoparticle the heat transfer of engine oil can be enhanced up to 6.35% and by adding GO in regular engine oil the heat transfer can be enhanced up to 5.49%.

本研究的重点是讨论非牛顿流体在工程问题中的应用。在本文中,磁流体力学的卡森流体在温度陡坡下沿无限板振荡。此外,本研究还考虑了多孔介质、化学反应和辐射的影响。大多数情况下,非牛顿流体用于润滑目的,如发动机油、润滑脂等。由于EO在工程上的广泛应用,本研究选择EO作为基液。为了提高传热速率,两种纳米二硫化钼(MoS2)和氧化石墨烯(GO)分散在EO中。为了将经典模型转化为时间分数模型,采用了Caputo-Fabrizio导数。为了得到所提问题的精确解,使用了拉普拉斯变换。通过图形描述了各种参数对流体流动的影响。最后,我们比较了不同纳米颗粒的传热速率。值得注意的是,(MoS2)纳米颗粒可使发动机油的换热率提高6.35%,在普通发动机油中加入氧化石墨烯可使机油的换热率提高5.49%。
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引用次数: 25
On the basins of convergence in the magnetic-binary problem with angular velocity 带角速度的磁二元问题的收敛盆地
Q3 MATHEMATICS, APPLIED Pub Date : 2021-03-24 DOI: 10.1002/cmm4.1161
Md Sanam Suraj, Rajiv Aggarwal, Md Chand Asique, Amit Mittal

The restricted three-body problem, where the primaries are magnetic dipoles, is discussed. In the predefined interval, the effect of the varying values of mass parameter μ and the angular velocity ω on the parametric variation of locations of the equilibrium points are illustrated. Indeed, the influence of the values of the ratio λ of the magnetic moments in the presence of angular velocity ω on the topology of the basins of convergence is discussed. The bivariate version of the well-known Newton–Raphson scheme is used to illustrate the basins of convergence on the configuration (x, y) plane. In addition, the correlations betwixt the basins of convergence associated to the equilibrium points and the linked number of iterations required to assure the preassumed precision are discussed. In this study, a rigorous and structured numerical investigation are illustrated by exhibiting how the values of λ and ω have significant influence on the shape, the topology and also the degree of fractality of the domain of basins of convergence. The results and outcomes of present study strongly indicate that the parameters ω,μ, and λ have significant influence in the electromagnetic binary system.

讨论了原色为磁偶极子的受限三体问题。在给定的区间内,讨论了质量参数μ和角速度ω的变化对平衡点位置参数变化的影响。实际上,讨论了角速度ω存在时磁矩之比λ值对收敛盆地拓扑结构的影响。众所周知的牛顿-拉夫森格式的二元版本被用来说明构型(x, y)平面上的收敛盆地。此外,还讨论了与平衡点相关的收敛盆地与保证预定精度所需的相关迭代次数之间的关系。在这项研究中,通过展示λ和ω的值如何对收敛盆地域的形状、拓扑结构和分形程度产生重大影响,说明了严格和结构化的数值研究。本研究的结果和结果有力地表明,参数ω、μ和λ在电磁双星系统中有显著的影响。
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引用次数: 3
On nonpolynomial monotonicity-preserving C1 spline interpolation 非多项式保持单调的C1样条插值
Q3 MATHEMATICS, APPLIED Pub Date : 2021-03-20 DOI: 10.1002/cmm4.1160
Domingo Barrera, Salah Eddargani, Abdellah Lamnii, Mohammed Oraiche

New C1 cubic Hermite interpolation methods based on algebraic trigonometric (AT) spline functions are proposed. In the first one, values of a function and its first derivatives are interpolated. In the second one, a C1 AT-spline of low degree which preserves the monotonicity of the given data is defined by adding additional knots. Numerical examples are provided to show the good performance of both interpolation schemes.

提出了基于代数三角样条函数的C1三次Hermite插值新方法。在第一种方法中,对函数的值及其一阶导数进行插值。在第二种方法中,通过添加额外的结点来定义保持给定数据单调性的低次C1 at样条。数值算例表明了两种插值方法的良好性能。
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引用次数: 4
A remark on “ Global dynamics of a tritrophic food chain model subject to the Allee effects in the prey population with sexually reproductive generalized-type top predator” [Comp and Math Methods. 2019; E1079, pp. 1–23] 关于“受Allee效应影响的三营养食物链模型在有性生殖型顶级捕食者种群中的全局动态”的评论[Comp and Math Methods. 2019;《科学》,第2期,第1-23页。
Q3 MATHEMATICS, APPLIED Pub Date : 2021-03-15 DOI: 10.1002/cmm4.1159
Eric M. Takyi, Kwadwo Antwi-Fordjour, Said Kouachi, Rana D. Parshad

In Debnath et al. (2019), a tritrophic food chain model subject to a Allee effect on the prey growth and Crowley–Martin senses functional response between intermediate predator and top predator, with a top predator of sexually reproductive type is considered. It is claimed that under certain restrictions on the parameter space, the model has bounded solutions for all positive initial conditions, and is dissipative. We show that this is not true. In particular, solutions to the model can blow-up in finite time, even under the restrictions derived in Debnath et al. (2019), for sufficiently chosen initial data. We derive a new extinction boundary for the system. We also conjecture on the effect of the Allee threshold on the blow-up dynamics in the model. All of our results are validated via numerical simulations.

Debnath et al.(2019)考虑了中间捕食者和顶级捕食者之间受Allee效应影响的猎物生长和Crowley-Martin感官功能反应的三营养食物链模型,其中顶级捕食者为有性生殖类型。在参数空间的一定限制下,该模型对所有正初始条件都有有界解,并且是耗散的。我们证明这是不正确的。特别是,对于充分选择的初始数据,即使在Debnath et al.(2019)导出的限制下,模型的解也可以在有限时间内爆炸。我们导出了一个新的消光边界。我们还推测了Allee阈值对模型爆破动力学的影响。所有的结果都通过数值模拟得到了验证。
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引用次数: 1
Wavelet-based collocation technique for fractional integro-differential equation with weakly singular kernel 弱奇异核分数阶积分微分方程的小波配置技术
Q3 MATHEMATICS, APPLIED Pub Date : 2021-03-13 DOI: 10.1002/cmm4.1158
Jyotirmoy Mouley, B. N. Mandal
Fractional integro-differential equation (FIDE) with weakly singular kernel is an important topic in mathematics and engineering dealing with mathematical modeling and simulation of numerous systems and processes. A wavelet-based collocation technique has been developed here to obtain approximate numerical solution of a FIDE with weakly singular kernel. The present method avoids complicated integrations and elaborate numerical calculations. The multiscale error approximation associated with this method has also been explained. The efficiency of the proposed method has been demonstrated by including some illustrative examples.
弱奇异核分数阶积分微分方程(FIDE)是数学和工程领域的一个重要研究课题,涉及大量系统和过程的数学建模和仿真。本文提出了一种基于小波的配点法,用于求解弱奇异核的非均匀分布方程。本方法避免了复杂的积分和繁琐的数值计算。本文还解释了与该方法相关的多尺度误差近似。通过算例验证了该方法的有效性。
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引用次数: 1
The classic two-player gambler's ruin problem with successive events: A generalized variance 具有连续事件的经典双玩家赌徒破产问题:广义方差
Q3 MATHEMATICS, APPLIED Pub Date : 2021-03-12 DOI: 10.1002/cmm4.1156
Abid Hussain, Salman A. Cheema

In this article, we present the general expressions for the variance of the ruin time of the classic two-player gambler's ruin problem with successive and nonoverlapping trials. The rationale of this game plan is motivated by its exhibition in the game of tennis, where a player is required to win two consecutive serves to win the point after achieving deuce. This strategy (i.e., decision is based on successive and nonoverlapping trials) is in favor of the player, who plays with a better skill set and reduces the chances of decision based only on luck. We explicitly derive the general expressions of variance up to m successive and non-overlapping trials for the case of symmetric and asymmetric games. It is proved that the expressions given in literature for the symmetric and asymmetric cases are the sub cases of our proposed expressions. Finally, some special games (i.e., m = 2) are simulated and the results are verified with the proposed formulas.

在本文中,我们给出了具有连续和非重叠试验的经典二人赌徒破产问题的破产时间方差的一般表达式。这个游戏计划的基本原理来自于它在网球比赛中的表现,在网球比赛中,选手需要连续赢得两个发球才能在平局后赢得积分。这种策略(游戏邦注:即决策是基于连续且不重叠的试验)有利于玩家,因为他们拥有更好的技能,并减少了仅基于运气做出决策的机会。对于对称和非对称对策,我们明确地推导了方差的一般表达式,最多可达m个连续且不重叠的试验。证明了文献中给出的对称和非对称情况的表达式是本文所提表达式的子情况。最后,对一些特殊博弈(即m = 2)进行了仿真,并用所提出的公式对结果进行了验证。
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引用次数: 2
Vectorial reduced differential transform method for fractional Cauchy–Riemann system of equations 分数阶柯西-黎曼方程组的向量约简微分变换方法
Q3 MATHEMATICS, APPLIED Pub Date : 2021-03-11 DOI: 10.1002/cmm4.1157
Tahir Naseem, Noreen Niazi, Muhammad Ayub, Muhammad Sohail

Cauchy–Riemann equations are very important as with condition of differentiability and continuity; these are the necessary and sufficient conditions for function to be analytic. Physically, Cauchy–Riemann equations represent the curl and divergence of vector fields. Like classical differential equations, a large class of physical problems are plugging with partial differential equations (PDEs). So PDEs need to be generalizing as fractional PDEs. This study proceeded to involves fractionalization of space and time variables of Cauchy–Riemann system of equations. Vectorial fractional reduced differential transformed method is used to solve inhomogeneous fractional Cauchy–Riemann equation in both space and time variable with analytic Cauchy data. Solutions so obtained are in the form of convergent infinite series. The exact and approximate solutions of model problems are shown graphically and observed that the solutions are in good agreement with exact solution for α = β = 1.

柯西-黎曼方程在具有可微性和连续性的条件下是非常重要的;这些是函数为解析函数的充分必要条件。物理上,柯西-黎曼方程表示向量场的旋度和散度。像经典微分方程一样,大量的物理问题都是用偏微分方程(PDEs)来解决的。偏微分方程需要推广为分数偏微分方程。本文研究了柯西-黎曼方程组的空间和时间变量的分数化。采用向量分数阶降阶微分变换方法,用解析柯西数据求解时空变量非齐次分数阶柯西-黎曼方程。由此得到的解是收敛无穷级数的形式。用图形表示了模型问题的精确解和近似解,并观察到这些解与α = β = 1的精确解符合得很好。
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引用次数: 3
A data-driven approach to predicting the most valuable player in a game 预测游戏中最有价值的玩家的数据驱动方法
Q3 MATHEMATICS, APPLIED Pub Date : 2021-02-26 DOI: 10.1002/cmm4.1155
Francisco P. Romero, Catalina Lozano-Murcia, Julio A. Lopez-Gomez, Eusebio Angulo Sanchez-Herrera, Eduardo Sanchez-Lopez

The identification of outstanding behaviors is a matter of essential importance in sports analytics. However, analyzing how human experts select each match's most valuable player (MVP) according to objective and subjective factors is a great challenge. This article proposes a data-driven approach for sports team performance based on the weighted aggregation of statistical indicators. The proposal is divided into two approaches: The first conducts a principal component analysis to examine the relationship between each game's statistical indicators. The other addresses a meta-heuristic analysis to weight the attributes and choose the MVPs optimally. Finally, we apply the proposed approach to the 2018 European Men's Handball Championship and take the “Player of the Match” of each game as an example to illustrate its usefulness and efficacy. We perform multiple analyses, including a comparison with a fuzzy multi-criteria decision-making method that show that the data-driven approach can predict the “Player of the Match” in most matches. It also allows us to estimate and quantify the expert evaluations, which are often difficult to obtain in a disaggregated form.

在体育分析中,优秀行为的识别是一个至关重要的问题。然而,分析人类专家如何根据客观和主观因素选择每场比赛的最有价值球员(MVP)是一个巨大的挑战。本文提出了一种基于统计指标加权聚合的体育团队绩效数据驱动方法。该建议分为两种方法:第一种方法是进行主成分分析,以检查每款游戏的统计指标之间的关系。另一个解决了一个元启发式分析,以加权属性并选择最佳mvp。最后,我们将该方法应用于2018年欧洲男子手球锦标赛,并以每场比赛的“全场最佳球员”为例来说明其实用性和有效性。我们进行了多项分析,包括与模糊多标准决策方法的比较,结果表明数据驱动方法可以预测大多数比赛中的“比赛最佳球员”。它还使我们能够估计和量化专家的评估,而这些评估通常很难以分类的形式获得。
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引用次数: 5
A new family of skewed distributions with application to some daily closing prices 一个新的歪斜分布家族,应用于一些每日收盘价
Q3 MATHEMATICS, APPLIED Pub Date : 2021-02-18 DOI: 10.1002/cmm4.1154
Hassan S. Bakouch, Hugo S. Salinas, Naushad Mamode Khan, Christophe Chesneau

In this article, we introduce a new general family of skewed distributions obtained through the use of a weighted skewed technique. This technique has the feature to unify two classical skewness techniques. Also, it is based on a clear stochastic representation involving a tuning weight function. General moments results are given. Subsequently, we focus our attention on a special case called asymmetric bimodal normal distribution. We investigate the maximum likelihood estimation of the parameters for this new distribution, with a complete numerical study. The developed model and method of inference are applied to some daily closing prices of some popular stocks.

本文介绍了利用加权偏态技术得到的一类新的广义偏态分布。该技术具有将两种经典偏度技术统一起来的特点。此外,它是基于一个明确的随机表示涉及一个调整权函数。给出了一般矩的结果。随后,我们将注意力集中在非对称双峰正态分布的特殊情况上。我们研究了这种新分布的参数的极大似然估计,并进行了完整的数值研究。将所建立的模型和推理方法应用于一些热门股票的日收盘价。
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引用次数: 2
期刊
Computational and Mathematical Methods
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