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PROCEEDINGS OF THE INTERNATIONAL CONFERENCE OF COMPUTATIONAL METHODS IN SCIENCES AND ENGINEERING 2019 (ICCMSE-2019)最新文献

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The international symposium of computational and mathematical modeling of biology and medicine targets in the ICCMSE ICCMSE中生物和医学目标的计算和数学建模国际研讨会
Dílson Silva, S. Missailidis
Along these last six years, we have been organizing the above titled symposium, focused in general, on biological targets, and more specifically on computational methods and tools applied to health and environmental themes. We have brought then a meaningful number of good talks and presentations broadcasting research results as well as a sort of correlated models. The use of computational methods and mathematical tools in biological and medicine targets has been successfully supporting scientists to understand physical and biological phenomena. As we recently discussed in our previous symposium, current technological advances allow the simulation of larger systems, with greater accuracy. Our expectation is that scientists take advantage of the increasing computational power now available to model and simulate more complex structures. In this sense each edition of the symposium registers the path we have been grooving along the time since we joined the ICCMSE to overtake this challenge.Along these last six years, we have been organizing the above titled symposium, focused in general, on biological targets, and more specifically on computational methods and tools applied to health and environmental themes. We have brought then a meaningful number of good talks and presentations broadcasting research results as well as a sort of correlated models. The use of computational methods and mathematical tools in biological and medicine targets has been successfully supporting scientists to understand physical and biological phenomena. As we recently discussed in our previous symposium, current technological advances allow the simulation of larger systems, with greater accuracy. Our expectation is that scientists take advantage of the increasing computational power now available to model and simulate more complex structures. In this sense each edition of the symposium registers the path we have been grooving along the time since we joined the ICCMSE to overtake this challenge.
在过去六年中,我们一直在组织上述专题讨论会,总体上侧重于生物目标,更具体地侧重于应用于健康和环境主题的计算方法和工具。我们为他们带来了大量有意义的讲座和演讲,传播了研究成果以及一种相关的模型。在生物和医学目标中使用计算方法和数学工具已经成功地支持科学家理解物理和生物现象。正如我们最近在之前的研讨会上讨论的那样,当前的技术进步允许更大系统的模拟,具有更高的准确性。我们的期望是,科学家们能够利用日益增长的计算能力来模拟更复杂的结构。从这个意义上说,每一届研讨会都记录了我们自加入ICCMSE以来为迎接这一挑战所走过的道路。在过去六年中,我们一直在组织上述专题讨论会,总体上侧重于生物目标,更具体地侧重于应用于健康和环境主题的计算方法和工具。我们为他们带来了大量有意义的讲座和演讲,传播了研究成果以及一种相关的模型。在生物和医学目标中使用计算方法和数学工具已经成功地支持科学家理解物理和生物现象。正如我们最近在之前的研讨会上讨论的那样,当前的技术进步允许更大系统的模拟,具有更高的准确性。我们的期望是,科学家们能够利用日益增长的计算能力来模拟更复杂的结构。从这个意义上说,每一届研讨会都记录了我们自加入ICCMSE以来为迎接这一挑战所走过的道路。
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引用次数: 0
Unsupervised anomaly detection in time series exploiting local and global information 利用局部和全局信息的时间序列无监督异常检测
Emanuele La Malfa, G. Malfa
We introduce a novel machine learning ensemble architecture for anomaly detection, that exploits global and local information from a 1d time series. A double step validation is performed to decide if a time period is anomalous: from one side a Long Short-Term Memory is trained to be reliable at forecasting, hence a parametric test on the forecasting’s error is used spot the anomalies. Concurrently, a Variational Autoencoder is trained to compress both global and local information from the series to a low-dimensional normal distribution, raising an anomaly if a time step’s likelihood is below a threshold. While anomaly detection with deep learning techniques often comes with the assumption that forecasting error is gaussian, we prove that this is in general a wrong assumption: we show that error function is better approximated by a distribution chosen dynamically. We validate our work on some public physical datasets, outperforming the current deep learning methods in terms of precision and recall.We introduce a novel machine learning ensemble architecture for anomaly detection, that exploits global and local information from a 1d time series. A double step validation is performed to decide if a time period is anomalous: from one side a Long Short-Term Memory is trained to be reliable at forecasting, hence a parametric test on the forecasting’s error is used spot the anomalies. Concurrently, a Variational Autoencoder is trained to compress both global and local information from the series to a low-dimensional normal distribution, raising an anomaly if a time step’s likelihood is below a threshold. While anomaly detection with deep learning techniques often comes with the assumption that forecasting error is gaussian, we prove that this is in general a wrong assumption: we show that error function is better approximated by a distribution chosen dynamically. We validate our work on some public physical datasets, outperforming the current deep learning methods in terms of precision and recall.
我们引入了一种新的机器学习集成架构用于异常检测,该架构利用了来自一维时间序列的全局和局部信息。执行双步验证以确定时间段是否异常:从一方面训练长短期记忆在预测方面是可靠的,因此使用预测误差的参数测试来发现异常。同时,一个变分自编码器被训练来压缩全局和局部信息从序列到一个低维正态分布,提出一个异常,如果一个时间步长的似然低于阈值。虽然深度学习技术的异常检测通常伴随着预测误差为高斯分布的假设,但我们证明这通常是一个错误的假设:我们表明,动态选择的分布可以更好地近似误差函数。我们在一些公共物理数据集上验证了我们的工作,在精度和召回率方面优于当前的深度学习方法。我们引入了一种新的机器学习集成架构用于异常检测,该架构利用了来自一维时间序列的全局和局部信息。执行双步验证以确定时间段是否异常:从一方面训练长短期记忆在预测方面是可靠的,因此使用预测误差的参数测试来发现异常。同时,一个变分自编码器被训练来压缩全局和局部信息从序列到一个低维正态分布,提出一个异常,如果一个时间步长的似然低于阈值。虽然深度学习技术的异常检测通常伴随着预测误差为高斯分布的假设,但我们证明这通常是一个错误的假设:我们表明,动态选择的分布可以更好地近似误差函数。我们在一些公共物理数据集上验证了我们的工作,在精度和召回率方面优于当前的深度学习方法。
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引用次数: 0
Methods for predicting the production of natural resources 预测自然资源产量的方法
A. Tarasyev, J. Vasilev, Victoria Turygina, S. V. Kravchuk, Alyona E. Strelchuk
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引用次数: 5
Rate constants and first-principles trajectories for attack at tetrahedral carbon: Role of molecular orientation on chiral selectivity 四面体碳上攻击的速率常数和第一性原理轨迹:分子取向对手性选择性的作用
M. V. Rezende, Priscila Gomes dos Santos, N. Coutinho, F. Palazzetti, A. Lombardi, V. Carvalho-Silva
Molecular orientation is an important tool for the characterization of dynamical and kinetic properties in collisional processes. The Aquilanti mechanism concerns the role played by molecular orientation in collisions with chirality discrimination. Here, the Aquilanti mechanism is observed by calculations of stationary points and simulations based on first-principle molecular dynamics on prototypical bimolecular nucleophilic substitution (SN2) and bimolecular elimination mechanisms (E2).
分子取向是表征碰撞过程动力学和动力学性质的重要工具。Aquilanti机制关注分子取向在手性识别碰撞中所起的作用。本文通过稳态点计算和基于第一性原理分子动力学的模拟,对典型的双分子亲核取代(SN2)和双分子消除机制(E2)进行了观察。
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引用次数: 0
Evaluation of infrastructure: Application of TOD to Catania underground metro station 基础设施评价:TOD在卡塔尼亚地铁站的应用
G. Acampa, F. Contino, M. Grasso, D. Ticali
In recent years, the concept of transit-oriented development (TOD) is increasingly applied to urban development based on the principles of smart growth and sustainable development. The growing complexity of urban systems and metropolitan areas requires an integrated strategic vision. This means addressing the issues of mobility and accessibility and their impact on the urban environment. Catania metropolitan area is characterized by a highly urbanized settlement with high percentage of urban sprawl. The General Master Plan of the city, shaped in 1964 and finally endorsed in 1969, severely reduced the opportunity for new developments by allocating areas for new urban facilities. The process of urban sprawl is mainly characterized by residential settlements. This aspect together with an inadequate road network and an insufficient public transport service brought to the growth of private cars on the roads, generating serious traffic congestion and making Catania based on a car-oriented model. Lately these conditions are changing as a consequence of the development of the underground metro network that connects the main city’s service centers like the hospitals, the university (and soon also the Airport) to the city center. To achieve sustainable transportation and resolve the aforementioned problems, we have applied TOD criteria to some of the main city’s transport junctions (selected using the Multi Criteria Decision Aid methodology) in order to fulfills the principle of sustainable transportation.In recent years, the concept of transit-oriented development (TOD) is increasingly applied to urban development based on the principles of smart growth and sustainable development. The growing complexity of urban systems and metropolitan areas requires an integrated strategic vision. This means addressing the issues of mobility and accessibility and their impact on the urban environment. Catania metropolitan area is characterized by a highly urbanized settlement with high percentage of urban sprawl. The General Master Plan of the city, shaped in 1964 and finally endorsed in 1969, severely reduced the opportunity for new developments by allocating areas for new urban facilities. The process of urban sprawl is mainly characterized by residential settlements. This aspect together with an inadequate road network and an insufficient public transport service brought to the growth of private cars on the roads, generating serious traffic congestion and making Catania based on a car-oriented model. Lately these co...
近年来,基于智慧增长和可持续发展的原则,公交导向发展(TOD)的概念越来越多地应用于城市发展。城市系统和大都市区日益复杂,需要一个综合的战略眼光。这意味着要解决流动性和可达性问题及其对城市环境的影响。卡塔尼亚大都市区的特点是高度城市化的定居点,城市蔓延的比例很高。城市总体规划于1964年制定,最终于1969年通过,通过分配新的城市设施区域,严重减少了新发展的机会。城市扩张的过程主要以住区为特征。这一方面加上道路网络的不足和公共交通服务的不足,导致道路上私家车的增长,造成了严重的交通拥堵,使卡塔尼亚以汽车为导向的模式。最近,由于地下地铁网络的发展,这些情况正在发生变化,地下地铁网络将主要城市的服务中心,如医院、大学(很快也将包括机场)连接到市中心。为了实现可持续交通并解决上述问题,我们将TOD标准应用于一些主要城市的交通枢纽(使用多标准决策辅助方法选择),以实现可持续交通的原则。近年来,基于智慧增长和可持续发展的原则,公交导向发展(TOD)的概念越来越多地应用于城市发展。城市系统和大都市区日益复杂,需要一个综合的战略眼光。这意味着要解决流动性和可达性问题及其对城市环境的影响。卡塔尼亚大都市区的特点是高度城市化的定居点,城市蔓延的比例很高。城市总体规划于1964年制定,最终于1969年通过,通过分配新的城市设施区域,严重减少了新发展的机会。城市扩张的过程主要以住区为特征。这一方面加上道路网络的不足和公共交通服务的不足,导致道路上私家车的增长,造成了严重的交通拥堵,使卡塔尼亚以汽车为导向的模式。最近这些…
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引用次数: 10
Analysis of the learning curve in a foreign language study: The methods development 外语学习中的学习曲线分析:方法发展
Z. Mukanova, D. B. Berg, M. Kit, E. Berg, A. Medvedev
This article describes the outcome of the studies aimed at development of methods for obtaining the learning curve (LC) for foreign language learning. It also suggests ways for the use of the learning curves. Two types of LC were obtained: short-term and medium-term memorization. Comparative analysis of the two curves suggests that the subject continues learning for up to 14 hours after the completion of a flash memory session since medium-term memorization tests readings are consistently higher than those for the short-term memorization. The paper presents various approximations of the learning curve and the functions that fit best the LC for foreign language learning. Based on a comparison of the results of the approximations of the experimental LC by functions of various types a conclusion has been drawn that all of them provide satisfactory results, with logarithmic and polynomial approximations slightly better than the others. Based on these findings, forecasts for subsequent learning achievements and proposals for further studies are made.
本文介绍了外语学习学习曲线获取方法的研究成果。它还提出了使用学习曲线的方法。LC分为短期记忆和中期记忆两种类型。这两条曲线的对比分析表明,由于中期记忆测试的读数始终高于短期记忆测试的读数,因此受试者在完成快速记忆会话后继续学习长达14小时。本文给出了学习曲线的各种近似和最适合学习曲线的函数。通过对各种类型的函数对实验LC的近似结果的比较,得出了它们都能提供令人满意的结果,其中对数和多项式近似略好于其他近似。在此基础上,对后续的学习成果进行了预测,并提出了进一步研究的建议。
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引用次数: 1
Regression model of sales manager behavior: Forecast and experimental confirmation 销售经理行为的回归模型:预测与实验验证
A. Polozov, M. Kraev, A. V. Rolis, A. Noyakshev, A. Medvedev
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引用次数: 2
Screen representation of structural properties of alanine in polypeptide chains 多肽链中丙氨酸结构性质的筛选
C. Caglioti, R. S. Ferreira, F. Palazzetti, A. Lombardi, V. Aquilanti
Alternative to conventional structural diagrams that plot dihedral angles of aminoacids in the protein chains, the proposed screen representation is based on significant distances in the aminoacid unit. Here, we report the case of alanine, the simplest chiral aminoacid, both isolated and participating in about fifty peptidic chains, of length included between 43 and 2238 aminoacid units. We present comparison with the most stable conformer in the isolated form (NH2-CH-CH3-COOH), in order to find possible effects in bond lengths due to aminoacid substituents. We have also found that serine is the aminoacid most frequently connected to alanine. Screen points of alanine, when bounded to serine, are displayed and highlighted in order to evidence how this aminoacid, exemplary for the substituent groups, affects the alanine structure.Alternative to conventional structural diagrams that plot dihedral angles of aminoacids in the protein chains, the proposed screen representation is based on significant distances in the aminoacid unit. Here, we report the case of alanine, the simplest chiral aminoacid, both isolated and participating in about fifty peptidic chains, of length included between 43 and 2238 aminoacid units. We present comparison with the most stable conformer in the isolated form (NH2-CH-CH3-COOH), in order to find possible effects in bond lengths due to aminoacid substituents. We have also found that serine is the aminoacid most frequently connected to alanine. Screen points of alanine, when bounded to serine, are displayed and highlighted in order to evidence how this aminoacid, exemplary for the substituent groups, affects the alanine structure.
替代绘制蛋白质链中氨基酸二面角的传统结构图,建议的屏幕表示是基于氨基酸单元的显著距离。在这里,我们报告了丙氨酸的情况,最简单的手性氨基酸,分离和参与大约50个肽链,长度包括43至2238个氨基酸单位。我们将其与最稳定的分离构象(NH2-CH-CH3-COOH)进行比较,以发现氨基酸取代基对键长可能产生的影响。我们还发现,丝氨酸是与丙氨酸连接最频繁的氨基酸。当与丝氨酸结合时,显示并突出显示丙氨酸的筛选点,以证明这种氨基酸(例如取代基)如何影响丙氨酸的结构。替代绘制蛋白质链中氨基酸二面角的传统结构图,建议的屏幕表示是基于氨基酸单元的显著距离。在这里,我们报告了丙氨酸的情况,最简单的手性氨基酸,分离和参与大约50个肽链,长度包括43至2238个氨基酸单位。我们将其与最稳定的分离构象(NH2-CH-CH3-COOH)进行比较,以发现氨基酸取代基对键长可能产生的影响。我们还发现,丝氨酸是与丙氨酸连接最频繁的氨基酸。当与丝氨酸结合时,显示并突出显示丙氨酸的筛选点,以证明这种氨基酸(例如取代基)如何影响丙氨酸的结构。
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引用次数: 4
Numerical simulation of fatigue crack growth in steel-aluminium transition joint 钢-铝过渡接头疲劳裂纹扩展数值模拟
M. Kowalski, D. Rozumek
The paper presents the results of fatigue crack growth simulation of the transition joint for S235JR steel and A5083 aluminum with the Grade 1 titanium interlayer coat and A1050 aluminum. Calculations were performed using ANSYS software. The publication presents the crack growth phenomena observed during fatigue testing. Additionally, calculations of residual stresses distributions induced by the process of joining materials during welding were carried out. Results of crack length calculations were comparable with experimantal data.The paper presents the results of fatigue crack growth simulation of the transition joint for S235JR steel and A5083 aluminum with the Grade 1 titanium interlayer coat and A1050 aluminum. Calculations were performed using ANSYS software. The publication presents the crack growth phenomena observed during fatigue testing. Additionally, calculations of residual stresses distributions induced by the process of joining materials during welding were carried out. Results of crack length calculations were comparable with experimantal data.
本文介绍了S235JR钢与A5083铝在层间包覆一级钛和A1050铝的过渡接头疲劳裂纹扩展的模拟结果。采用ANSYS软件进行计算。该出版物介绍了疲劳试验中观察到的裂纹扩展现象。此外,还对焊接过程中材料连接过程引起的残余应力分布进行了计算。裂缝长度计算结果与实验数据基本一致。本文介绍了S235JR钢与A5083铝在层间包覆一级钛和A1050铝的过渡接头疲劳裂纹扩展的模拟结果。采用ANSYS软件进行计算。该出版物介绍了疲劳试验中观察到的裂纹扩展现象。此外,还对焊接过程中材料连接过程引起的残余应力分布进行了计算。裂缝长度计算结果与实验数据基本一致。
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引用次数: 2
Irrecoverable collapse time for a fixed-hinge dry-stack arch under constant horizontal acceleration 定铰干堆拱在恒定水平加速度作用下的不可恢复倒塌时间
Gabriel Stockdale, G. Milani, V. Sarhosis
The collapse of dry-stack masonry arches results from the transformation of a static system to a mechanical state through the development of mechanical joints. The traditional failure condition is this mechanization through the formation of four-hinges in a kinematically admissible configuration. The first-order analysis of an arche’s seismic capacity is obtained through limit analysis (LA) approaches. One approach is the equilibrium assessment of the kinematic theorem through the use of a kinematic collapse load calculator (KCLC). Utilizing a custom KCLC developed and validated from an experimental arch, with the added control of the single degree-of-freedom rotations, an analytic solution is developed between the applied acceleration and the minimum time duration required for collapse. The collapse multiplier and arch centroid data is recorded for all the admissible conditions that exist in the spatial deformation propagation. From this information, the work required to collapse the arch under kinematic equilibrium is established and utilized to decompose the static and kinematic energy contributions. The time-displacement domain is then defined from the resulting kinematic energy of the overloaded arch and used to evaluate the time where the kinematic energy exceeds the remaining work required for the loss of the kinematically admissible condition. This results in a simple analytical function linking excess static acceleration with a time limit of recovery.The collapse of dry-stack masonry arches results from the transformation of a static system to a mechanical state through the development of mechanical joints. The traditional failure condition is this mechanization through the formation of four-hinges in a kinematically admissible configuration. The first-order analysis of an arche’s seismic capacity is obtained through limit analysis (LA) approaches. One approach is the equilibrium assessment of the kinematic theorem through the use of a kinematic collapse load calculator (KCLC). Utilizing a custom KCLC developed and validated from an experimental arch, with the added control of the single degree-of-freedom rotations, an analytic solution is developed between the applied acceleration and the minimum time duration required for collapse. The collapse multiplier and arch centroid data is recorded for all the admissible conditions that exist in the spatial deformation propagation. From this information, the work required to collapse the arch under kinematic...
干桩砌体拱的倒塌是通过力学节点的发育由静力系统向力学状态转变的结果。传统的失效条件是通过在运动学允许的配置中形成四铰链来机械化。采用极限分析方法对拱的抗震能力进行了一阶分析。一种方法是通过使用运动学崩溃载荷计算器(KCLC)对运动学定理进行平衡评估。利用自定义的KCLC开发并验证了从一个实验拱,与单自由度旋转的附加控制,分析解决方案之间的应用加速度和崩溃所需的最小持续时间。记录了空间变形传播中存在的所有允许条件下的倒塌乘数和拱心数据。根据这些信息,建立了拱在运动平衡下坍塌所需的功,并利用其分解静力和运动学能量贡献。然后,从由此得到的超载拱的运动学能量定义时间位移域,并用于评估运动学能量超过运动学允许条件损失所需的剩余功的时间。这就产生了一个简单的解析函数,它将过剩的静态加速度与恢复的时间限制联系起来。干桩砌体拱的倒塌是通过力学节点的发育由静力系统向力学状态转变的结果。传统的失效条件是通过在运动学允许的配置中形成四铰链来机械化。采用极限分析方法对拱的抗震能力进行了一阶分析。一种方法是通过使用运动学崩溃载荷计算器(KCLC)对运动学定理进行平衡评估。利用自定义的KCLC开发并验证了从一个实验拱,与单自由度旋转的附加控制,分析解决方案之间的应用加速度和崩溃所需的最小持续时间。记录了空间变形传播中存在的所有允许条件下的倒塌乘数和拱心数据。根据这些信息,拱在运动作用下坍塌所需的功…
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引用次数: 1
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PROCEEDINGS OF THE INTERNATIONAL CONFERENCE OF COMPUTATIONAL METHODS IN SCIENCES AND ENGINEERING 2019 (ICCMSE-2019)
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