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Performance and Application Analysis of a New Optimization Algorithm 新优化算法的性能和应用分析
IF 2.2 Q2 MATHEMATICS, INTERDISCIPLINARY APPLICATIONS Pub Date : 2023-12-20 DOI: 10.3390/computation12010001
Junlong Zheng, C. Jettanasen, P. Chiradeja
Our research focused on an optimization algorithm. Our work makes three contributions. First, a new optimization algorithm, the Maritime Search and Rescue Algorithm (MSRA), is creatively proposed. The algorithm not only has better optimization performance, but also has the ability to plan the path to the best site. For other existing intelligent optimization algorithms, it has never been found that they have both of these performances. Second, the mathematical model of the MSRA was established, and the computer program pseudo-code was created. Third, the MSRA was verified by experiments.
我们的研究重点是优化算法。我们的工作有三个贡献。首先,创造性地提出了一种新的优化算法--海上搜救算法(MSRA)。该算法不仅具有更好的优化性能,还能规划出通往最佳地点的路径。而在现有的其他智能优化算法中,还从未发现过同时具备这两种性能的算法。其次,建立了 MSRA 的数学模型,并创建了计算机程序伪代码。第三,通过实验验证了 MSRA。
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引用次数: 0
In Silico Identification of Natural Products and World-Approved Drugs Targeting the KEAP1/NRF2 Pathway Endowed with Potential Antioxidant Profile 针对具有潜在抗氧化特性的 KEAP1/NRF2 通路的天然产品和世界批准药物的硅学鉴定
IF 2.2 Q2 MATHEMATICS, INTERDISCIPLINARY APPLICATIONS Pub Date : 2023-12-16 DOI: 10.3390/computation11120255
S. Brogi, Ilaria Guarino, L. Flori, Hajar Sirous, Vincenzo Calderone
In this study, we applied a computer-based protocol to identify novel antioxidant agents that can reduce oxidative stress (OxS), which is one of the main hallmarks of several disorders, including cancer, cardiovascular disease, and neurodegenerative disorders. Accordingly, the identification of novel and safe agents, particularly natural products, could represent a valuable strategy to prevent and slow down the cellular damage caused by OxS. Employing two chemical libraries that were properly prepared and enclosing both natural products and world-approved and investigational drugs, we performed a high-throughput docking campaign to identify potential compounds that were able to target the KEAP1 protein. This protein is the main cellular component, along with NRF2, that is involved in the activation of the antioxidant cellular pathway. Furthermore, several post-search filtering approaches were applied to improve the reliability of the computational protocol, such as the evaluation of ligand binding energies and the assessment of the ADMET profile, to provide a final set of compounds that were evaluated by molecular dynamics studies for their binding stability. By following the screening protocol mentioned above, we identified a few undisclosed natural products and drugs that showed great promise as antioxidant agents. Considering the natural products, isoxanthochymol, gingerenone A, and meranzin hydrate showed the best predicted profile for behaving as antioxidant agents, whereas, among the drugs, nedocromil, zopolrestat, and bempedoic acid could be considered for a repurposing approach to identify possible antioxidant agents. In addition, they showed satisfactory ADMET properties with a safe profile, suggesting possible long-term administration. In conclusion, the identified compounds represent a valuable starting point for the identification of novel, safe, and effective antioxidant agents to be employed in cell-based tests and in vivo studies to properly evaluate their action against OxS and the optimal dosage for exerting antioxidant effects.
氧化应激是包括癌症、心血管疾病和神经退行性疾病在内的多种疾病的主要特征之一。因此,鉴定新型安全制剂,尤其是天然产品,是预防和减缓氧化应激对细胞造成损害的重要策略。我们利用两个经过适当制备的化学文库,其中既有天然产品,也有世界上已批准和正在研究的药物,进行了高通量对接,以确定能够靶向 KEAP1 蛋白的潜在化合物。该蛋白是与 NRF2 一起参与激活抗氧化细胞通路的主要细胞成分。此外,为了提高计算方案的可靠性,还采用了几种搜索后过滤方法,如配体结合能评估和 ADMET 剖面评估,以提供一组通过分子动力学研究评估其结合稳定性的最终化合物。根据上述筛选方案,我们发现了一些未公开的天然产品和药物,它们作为抗氧化剂显示出了巨大的潜力。在天然产物中,异黄酮酚、姜酮素 A 和美兰嗪水合物显示出最佳的抗氧化剂预测特征,而在药物中,奈多克罗米、左波瑞司他和贝贝多酸可考虑用于再利用方法,以确定可能的抗氧化剂。此外,它们还显示出令人满意的 ADMET 特性和安全特征,表明可以长期服用。总之,已鉴定的化合物是鉴定新型、安全、有效的抗氧化剂的重要起点,可用于细胞测试和体内研究,以正确评估它们对 OxS 的作用以及发挥抗氧化作用的最佳剂量。
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引用次数: 0
Bioinspired Multipurpose Approach to the Sampling Problem 抽样问题的生物启发多用途方法
IF 2.2 Q2 MATHEMATICS, INTERDISCIPLINARY APPLICATIONS Pub Date : 2023-12-14 DOI: 10.3390/computation11120254
Anton Tolstikhin
Currently, the sampling problem has gained wide popularity in the field of autonomous mobile agent control due to the wide range of practical and fundamental problems described with its framework. This paper considers a combined decentralized control strategy that incorporates both elements of biologically inspired and gradient-based approaches. Its key feature is multitasking, consisting in the possibility of solving several tasks in parallel included in the sampling problem: localization and monitoring of several sources and restoration of the given level line boundaries.
目前,采样问题在自主移动代理控制领域广受欢迎,因为其框架描述了广泛的实际和基本问题。本文探讨了一种结合了生物启发和梯度方法的分散控制策略。它的主要特点是多任务处理,包括可以并行地解决采样问题中的几个任务:定位和监控几个来源以及恢复给定的水平线边界。
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引用次数: 0
A Combined Approach for Predicting the Distribution of Harmful Substances in the Atmosphere Based on Parameter Estimation and Machine Learning Algorithms 基于参数估计和机器学习算法的大气中有害物质分布预测组合方法
IF 2.2 Q2 MATHEMATICS, INTERDISCIPLINARY APPLICATIONS Pub Date : 2023-12-10 DOI: 10.3390/computation11120249
Muratkan Madiyarov, Nurlan Temirbekov, N. Alimbekova, Y. Malgazhdarov, Yerlan Yergaliyev
This paper proposes a new approach to predicting the distribution of harmful substances in the atmosphere based on the combined use of the parameter estimation technique and machine learning algorithms. The essence of the proposed approach is based on the assumption that the concentration values predicted by machine learning algorithms at observation points can be used to refine the pollutant concentration field when solving a differential equation of the convection-diffusion-reaction type. This approach reduces to minimizing an objective functional on some admissible set by choosing the atmospheric turbulence coefficient. We consider two atmospheric turbulence models and restore its unknown parameters by using the limited-memory Broyden–Fletcher–Goldfarb–Shanno algorithm. Three ensemble machine learning algorithms are analyzed for the prediction of concentration values at observation points, and comparison of the predicted values with the measurement results is presented. The proposed approach has been tested on an example of two cities in the Republic of Kazakhstan. In addition, due to the lack of data on pollution sources and their intensities, an approach for identifying this information is presented.
本文提出了一种基于参数估计技术和机器学习算法相结合的预测大气中有害物质分布的新方法。所提方法的本质是基于以下假设:在求解对流-扩散-反应型微分方程时,可以利用机器学习算法预测的观测点浓度值来完善污染物浓度场。这种方法简化为通过选择大气湍流系数来最小化某个可接受集合上的目标函数。我们考虑了两种大气湍流模型,并通过使用有限记忆 Broyden-Fletcher-Goldfarb-Shanno 算法还原其未知参数。分析了用于预测观测点浓度值的三种集合机器学习算法,并对预测值与测量结果进行了比较。以哈萨克斯坦共和国的两个城市为例,对所提出的方法进行了测试。此外,由于缺乏有关污染源及其强度的数据,还介绍了一种识别这些信息的方法。
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引用次数: 0
Exploring Polygonal Number Sieves through Computational Triangulation 通过计算三角形探索多边形数筛
IF 2.2 Q2 MATHEMATICS, INTERDISCIPLINARY APPLICATIONS Pub Date : 2023-12-10 DOI: 10.3390/computation11120251
Sergei Abramovich
The paper deals with the exploration of subsequences of polygonal numbers of different sides derived through step-by-step elimination of terms of the original sequences. Eliminations are based on special rules similarly to how the classic sieve of Eratosthenes was developed through the elimination of multiples of primes. These elementary number theory activities, appropriate for technology-enhanced secondary mathematics education courses, are supported by a spreadsheet, Wolfram Alpha, Maple, and the Online Encyclopedia of Integer Sequences. General formulas for subsequences of polygonal numbers referred to in the paper as polygonal number sieves of order k, that include base-two exponential functions of k, have been developed. Different problem-solving approaches to the derivation of such and other sieves based on the technology-immune/technology-enabled framework have been used. The accuracy of computations and mathematical reasoning is confirmed through the technique of computational triangulation enabled by using more than one digital tool. A few relevant excerpts from the history of mathematics are briefly featured.
本文探讨了通过逐步消去原始序列的项而得到的不同边的多边形数的子序列。消除是基于特殊的规则,类似于通过消除质数的倍数来发展埃拉托塞尼斯的经典筛子。电子表格、Wolfram Alpha、Maple 和《整数序列在线百科全书》为这些适合技术强化中学数学教育课程的初级数论活动提供了支持。论文中将多边形数的子序列称为 k 阶多边形数筛,其中包括 k 的基 2 指数函数。在技术免疫/技术赋能框架的基础上,采用了不同的问题解决方法来推导此类和其他数筛。计算和数学推理的准确性通过使用一种以上数字工具的计算三角测量技术得到确认。下面简要介绍数学史上的一些相关节选。
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引用次数: 0
Effects of Running in Minimal, Maximal and Conventional Footwear on Tibial Stress Fracture Probability: An Examination Using Finite Element and Probabilistic Analyses 穿着最小、最大和传统鞋类跑步对胫骨应力性骨折概率的影响:使用有限元分析和概率分析进行研究
IF 2.2 Q2 MATHEMATICS, INTERDISCIPLINARY APPLICATIONS Pub Date : 2023-12-06 DOI: 10.3390/computation11120248
Jonathan K Sinclair, P. Taylor
This study examined the effects of minimal, maximal and conventional running footwear on tibial strains and stress fracture probability using finite element and probabilistic analyses. The current investigation examined fifteen males running in three footwear conditions (minimal, maximal and conventional). Kinematic data were collected during overground running at 4.0 m/s using an eight-camera motion-capture system and ground reaction forces using a force plate. Tibial strains were quantified using finite element modelling and stress fracture probability calculated via probabilistic modelling over 100 days of running. Ninetieth percentile tibial strains were significantly greater in minimal (4681.13 με) (p < 0.001) and conventional (4498.84 με) (p = 0.007) footwear compared to maximal (4069.65 με). Furthermore, tibial stress fracture probability was significantly greater in minimal footwear (0.22) (p = 0.047) compared to maximal (0.15). The observations from this investigation show that compared to minimal footwear, maximal running shoes appear to be effective in attenuating runners’ likelihood of developing a tibial stress fracture.
本研究采用有限元和概率分析的方法研究了最小跑鞋、最大跑鞋和常规跑鞋对胫骨应变和应力骨折概率的影响。目前的调查调查了15名男性在三种跑鞋条件下跑步(最小、最大和常规)。在以4.0 m/s的速度进行地上跑步时,使用8个摄像头的运动捕捉系统收集了运动学数据,并使用测力板收集了地面反作用力。通过有限元建模量化胫骨应变,通过概率建模计算100天的应力断裂概率。第90百分位胫骨应变在最小鞋履(4681.13 με) (p < 0.001)和常规鞋履(4498.84 με) (p = 0.007)中显著高于最大鞋履(4069.65 με)。此外,最小鞋履的胫骨应力骨折概率显著高于最大鞋履(0.15)(p = 0.047)(0.22)。这项调查的观察结果表明,与最小的跑鞋相比,最大的跑鞋似乎可以有效地降低跑步者发生胫骨应力性骨折的可能性。
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引用次数: 0
Two-Stage Input-Space Image Augmentation and Interpretable Technique for Accurate and Explainable Skin Cancer Diagnosis 用于准确和可解释皮肤癌诊断的两阶段输入空间图像增强和可解释技术
IF 2.2 Q2 MATHEMATICS, INTERDISCIPLINARY APPLICATIONS Pub Date : 2023-12-05 DOI: 10.3390/computation11120246
Catur Supriyanto, Abu Salam, Junta Zeniarja, Adi Wijaya
This research paper presents a deep-learning approach to early detection of skin cancer using image augmentation techniques. We introduce a two-stage image augmentation process utilizing geometric augmentation and a generative adversarial network (GAN) to differentiate skin cancer categories. The public HAM10000 dataset was used to test how well the proposed model worked. Various pre-trained convolutional neural network (CNN) models, including Xception, Inceptionv3, Resnet152v2, EfficientnetB7, InceptionresnetV2, and VGG19, were employed. Our approach demonstrates an accuracy of 96.90%, precision of 97.07%, recall of 96.87%, and F1-score of 96.97%, surpassing the performance of other state-of-the-art methods. The paper also discusses the use of Shapley Additive Explanations (SHAP), an interpretable technique for skin cancer diagnosis, which can help clinicians understand the reasoning behind the diagnosis and improve trust in the system. Overall, the proposed method presents a promising approach to automated skin cancer detection that could improve patient outcomes and reduce healthcare costs.
本研究论文提出了一种使用图像增强技术进行皮肤癌早期检测的深度学习方法。我们介绍了一种利用几何增强和生成对抗网络(GAN)的两阶段图像增强过程来区分皮肤癌类别。公共HAM10000数据集用于测试所提出的模型的工作效果。使用了各种预训练的卷积神经网络(CNN)模型,包括Xception、Inceptionv3、Resnet152v2、EfficientnetB7、InceptionresnetV2和VGG19。该方法的准确率为96.90%,精密度为97.07%,召回率为96.87%,f1分数为96.97%,优于其他先进的方法。本文还讨论了Shapley加法解释(SHAP)的使用,这是一种可解释的皮肤癌诊断技术,可以帮助临床医生理解诊断背后的原因,并提高对系统的信任。总的来说,所提出的方法提出了一种有前途的自动化皮肤癌检测方法,可以改善患者的治疗结果并降低医疗成本。
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引用次数: 0
Autopoiesis and Eigenform 自组织和特征形式
IF 2.2 Q2 MATHEMATICS, INTERDISCIPLINARY APPLICATIONS Pub Date : 2023-12-05 DOI: 10.3390/computation11120247
Louis H. Kauffman
This paper explores a formal model of autopoiesis as presented by Maturana, Uribe and Varela, and analyzes this model and its implications through the lens of the notions of eigenforms (fixed points) and the intricacies of Goedelian coding. The paper discusses the connection between autopoiesis and eigenforms and a variety of different perspectives and examples. The paper puts forward original philosophical reflections and generalizations about its various conclusions concerning specific examples, with the aim of contributing to a unified way of understanding (formal models of) living systems within the context of natural sciences, and to see the role of such systems and the formation of information from the point of view of analogs of biological construction. To this end, we pay attention to models for fixed points, self-reference and self-replication in formal systems and in the description of biological systems.
本文探讨了由Maturana, Uribe和Varela提出的自创生的形式化模型,并通过特征形式(不动点)的概念和Goedelian编码的复杂性来分析该模型及其含义。本文讨论了自创生与本征形式之间的联系,以及各种不同的观点和例子。本文针对具体实例的各种结论,提出了原创性的哲学思考和概括,旨在为在自然科学的背景下理解生命系统(形式模型)提供一种统一的方式,并从生物构造类似物的角度来看待这些系统的作用和信息的形成。为此,我们关注形式系统和生物系统描述中的不动点、自我参考和自我复制模型。
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引用次数: 0
Design and Implementation of a Camera-Based Tracking System for MAV Using Deep Learning Algorithms 利用深度学习算法设计和实现基于摄像头的无人飞行器跟踪系统
IF 2.2 Q2 MATHEMATICS, INTERDISCIPLINARY APPLICATIONS Pub Date : 2023-12-04 DOI: 10.3390/computation11120244
Stefan Hensel, M. Marinov, Raphael Panter
In recent years, the advancement of micro-aerial vehicles has been rapid, leading to their widespread utilization across various domains due to their adaptability and efficiency. This research paper focuses on the development of a camera-based tracking system specifically designed for low-cost drones. The primary objective of this study is to build up a system capable of detecting objects and locating them on a map in real time. Detection and positioning are achieved solely through the utilization of the drone’s camera and sensors. To accomplish this goal, several deep learning algorithms are assessed and adopted because of their suitability with the system. Object detection is based upon a single-shot detector architecture chosen for maximum computation speed, and the tracking is based upon the combination of deep neural-network-based features combined with an efficient sorting strategy. Subsequently, the developed system is evaluated using diverse metrics to determine its performance for detection and tracking. To further validate the approach, the system is employed in the real world to show its possible deployment. For this, two distinct scenarios were chosen to adjust the algorithms and system setup: a search and rescue scenario with user interaction and precise geolocalization of missing objects, and a livestock control scenario, showing the capability of surveying individual members and keeping track of number and area. The results demonstrate that the system is capable of operating in real time, and the evaluation verifies that the implemented system enables precise and reliable determination of detected object positions. The ablation studies prove that object identification through small variations in phenotypes is feasible with our approach.
近年来,微型飞行器发展迅速,由于其适应性和高效性,在各个领域得到了广泛的应用。本研究论文的重点是开发一种专门为低成本无人机设计的基于摄像机的跟踪系统。本研究的主要目标是建立一个能够实时检测物体并在地图上定位它们的系统。检测和定位完全是通过利用无人机的摄像头和传感器来实现的。为了实现这一目标,评估和采用了几种深度学习算法,因为它们与系统的适用性。目标检测基于最大计算速度选择的单镜头检测器架构,跟踪基于深度神经网络特征与高效排序策略的结合。随后,使用不同的指标来评估开发的系统,以确定其检测和跟踪的性能。为了进一步验证该方法,在现实世界中使用了该系统来展示其可能的部署。为此,我们选择了两个不同的场景来调整算法和系统设置:一个是具有用户交互和失踪物体精确地理定位的搜索和救援场景,另一个是牲畜控制场景,显示了测量个体成员并跟踪数量和面积的能力。结果表明,该系统能够实时运行,评估验证了所实现的系统能够精确可靠地确定被检测目标的位置。消融研究证明,通过表型的微小变化来识别物体是可行的。
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引用次数: 0
Evolutionary Computation Techniques for Path Planning Problems in Industrial Robotics: A State-of-the-Art Review 用于工业机器人路径规划问题的进化计算技术:最新技术综述
IF 2.2 Q2 MATHEMATICS, INTERDISCIPLINARY APPLICATIONS Pub Date : 2023-12-04 DOI: 10.3390/computation11120245
M. Juříček, Roman Parák, J. Kůdela
The significance of robot manipulators in engineering applications and scientific research has increased substantially in recent years. The utilization of robot manipulators to save labor and increase production accuracy is becoming a common practice in industry. Evolutionary computation (EC) techniques are optimization methods that have found their use in diverse engineering fields. This state-of-the-art review focuses on recent developments and progress in their applications for industrial robotics, especially for path planning problems that need to satisfy various constraints that are implied by both the geometry of the robot and its surroundings. We discuss the most-used EC method and the modifications that suit this particular purpose, as well as the different simulation environments that are used for their development. Lastly, we outline the possible research gaps and the expected directions future research in this area will entail.
近年来,机械臂在工程应用和科学研究中的重要性大大提高。利用机器人机械手来节省劳动力和提高生产精度正在成为工业上的普遍做法。进化计算(EC)技术是一种优化方法,在各种工程领域都有应用。这篇最新的综述着重于它们在工业机器人应用中的最新发展和进展,特别是在需要满足机器人几何形状及其周围环境所隐含的各种约束的路径规划问题上。我们讨论了最常用的EC方法和适合此特定目的的修改,以及用于其开发的不同模拟环境。最后,我们概述了可能的研究差距和该领域未来研究的预期方向。
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引用次数: 0
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Computation
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