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Optimizing Deep Learning for Computer-Aided Diagnosis of Lung Diseases: An Automated Method Combining Evolutionary Algorithm, Transfer Learning, and Model Compression
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作者 Hassen Louati Ali Louati +1 位作者 Elham Kariri Slim Bechikh 《Computer Modeling in Engineering & Sciences》 SCIE EI 2024年第3期2519-2547,共29页
Recent developments in Computer Vision have presented novel opportunities to tackle complex healthcare issues,particularly in the field of lung disease diagnosis.One promising avenue involves the use of chest X-Rays,w... Recent developments in Computer Vision have presented novel opportunities to tackle complex healthcare issues,particularly in the field of lung disease diagnosis.One promising avenue involves the use of chest X-Rays,which are commonly utilized in radiology.To fully exploit their potential,researchers have suggested utilizing deep learning methods to construct computer-aided diagnostic systems.However,constructing and compressing these systems presents a significant challenge,as it relies heavily on the expertise of data scientists.To tackle this issue,we propose an automated approach that utilizes an evolutionary algorithm(EA)to optimize the design and compression of a convolutional neural network(CNN)for X-Ray image classification.Our approach accurately classifies radiography images and detects potential chest abnormalities and infections,including COVID-19.Furthermore,our approach incorporates transfer learning,where a pre-trainedCNNmodel on a vast dataset of chest X-Ray images is fine-tuned for the specific task of detecting COVID-19.This method can help reduce the amount of labeled data required for the task and enhance the overall performance of the model.We have validated our method via a series of experiments against state-of-the-art architectures. 展开更多
关键词 computer-aided diagnosis deep learning evolutionary algorithms deep compression transfer learning
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Automatic Fetal Segmentation Designed on Computer-Aided Detection with Ultrasound Images
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作者 Mohana Priya Govindarajan Sangeetha Subramaniam Karuppaiya Bharathi 《Computers, Materials & Continua》 SCIE EI 2024年第11期2967-2986,共20页
In the present research,we describe a computer-aided detection(CAD)method aimed at automatic fetal head circumference(HC)measurement in 2D ultrasonography pictures during all trimesters of pregnancy.The HC might be ut... In the present research,we describe a computer-aided detection(CAD)method aimed at automatic fetal head circumference(HC)measurement in 2D ultrasonography pictures during all trimesters of pregnancy.The HC might be utilized toward determining gestational age and tracking fetal development.This automated approach is particularly valuable in low-resource settings where access to trained sonographers is limited.The CAD system is divided into two steps:to begin,Haar-like characteristics were extracted from ultrasound pictures in order to train a classifier using random forests to find the fetal skull.We identified the HC using dynamic programming,an elliptical fit,and a Hough transform.The computer-aided detection(CAD)program was well-trained on 999 pictures(HC18 challenge data source),and then verified on 335 photos from all trimesters in an independent test set.A skilled sonographer and an expert in medicine personally marked the test set.We used the crown-rump length(CRL)measurement to calculate the reference gestational age(GA).In the first,second,and third trimesters,the median difference between the standard GA and the GA calculated by the skilled sonographer stayed at 0.7±2.7,0.0±4.5,and 2.0±12.0 days,respectively.The regular duration variance between the baseline GA and the health investigator’s GA remained 1.5±3.0,1.9±5.0,and 4.0±14 a couple of days.The mean variance between the standard GA and the CAD system’s GA remained between 0.5 and 5.0,with an additional variation of 2.9 to 12.5 days.The outcomes reveal that the computer-aided detection(CAD)program outperforms an expert sonographer.When paired with the classifications reported in the literature,the provided system achieves results that are comparable or even better.We have assessed and scheduled this computerized approach for HC evaluation,which includes information from all trimesters of gestation. 展开更多
关键词 Fetal growth SEGMENTATION ultrasound images computer-aided detection gestational age crown-rump length head circumference
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Searching scheme in P2P system based on semantic overlay network 被引量:2
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作者 霍英 陈志刚 《Journal of Southeast University(English Edition)》 EI CAS 2006年第3期330-333,共4页
In consideration of the limitation of super-peer overlay network, the semantic information was introduced into the super-peers' organization. A novel P2P (peer-to-peer) searching model, SSP2P, was put forward. The ... In consideration of the limitation of super-peer overlay network, the semantic information was introduced into the super-peers' organization. A novel P2P (peer-to-peer) searching model, SSP2P, was put forward. The peers in the model were organized in a natural area autonomy system (AAS) based on the smallworld theory. A super-peer was selected in each AAS based on power law; and all the super-peers formed different super-peer semantic networks. Thus, a hierarchical super-peer overlay network was formed. The results show that the model reduces the communication cost and enhances the search efficiency while ensuring the system expansibility. It proves that the introduction of semantic information in the construction of a super-peer overlay is favorable to P2P system capability. 展开更多
关键词 PEER-TO-PEER searching SEMANTIC SUPER-PEER small world
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Semantic overlay network for searching taxonomy-based data sources 被引量:1
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作者 乔百友 王国仁 谢可心 《Journal of Southeast University(English Edition)》 EI CAS 2007年第3期322-326,共5页
Distributed data sources which employ taxonomy hierarchy to describe the contents of their objects are considered, and a super-peer-based semantic overlay network (SSON) is proposed for sharing and searching their d... Distributed data sources which employ taxonomy hierarchy to describe the contents of their objects are considered, and a super-peer-based semantic overlay network (SSON) is proposed for sharing and searching their data objects. In SSON, peers are dynamically clustered into many semantic clusters based on the semantics of their data objects and organized in the semantic clusters into a semantic overlay network. Each semantic cluster consists of a super-peer and more peers, and is only responsible for answering queries in its semantic subspace. A query is first routed to the appropriate semantic clusters by an efficient searching algorithm, and then it is forwarded to the specific peers that hold the relevant data objects. Experimental results indicate that SSON has good scalability and achieves a competitive trade-off between search efficiency and costs. 展开更多
关键词 peer to peer (P2P) taxonomy hierarchy semantic searching
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Optimal shape space and searching in the active shape model
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作者 何良华 邹采荣 +1 位作者 赵力 胡蝶 《Journal of Southeast University(English Edition)》 EI CAS 2005年第3期263-267,共5页
A novel idea,called the optimal shape subspace (OSS) is first proposed for optimizing active shape model (ASM) search.It is constructed from the principal shape subspace and the principal shape variance subspace.I... A novel idea,called the optimal shape subspace (OSS) is first proposed for optimizing active shape model (ASM) search.It is constructed from the principal shape subspace and the principal shape variance subspace.It allows the reconstructed shape to vary more than that reconstructed in the standard ASM shape space,hence it is more expressive in representing shapes in real life.Then a cost function is developed,based on a study on the search process.An optimal searching method using the feedback information provided by the evaluation cost is proposed to improve the performance of ASM alignment.Experimental results show that the proposed OSS can offer the maximum shape variation with reserving the principal information and a unique local optimal shape is acquired after optimal searching.The combination of OSS and optimal searching can improve the ASM performance greatly. 展开更多
关键词 active shape model shape subspace search subspace principal component analysis
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Computer-Aided Translation Technology and Translation Teaching 被引量:1
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作者 王红艾 《海外英语》 2011年第15期158-159,161,共3页
With the development of computer technology, Computer-Aided Translation(CAT) is widely used in the translation process, thus increasing the efficiency of the entire translation work. The purpose of this article is to ... With the development of computer technology, Computer-Aided Translation(CAT) is widely used in the translation process, thus increasing the efficiency of the entire translation work. The purpose of this article is to analyze the importance of introducing CAT technology into translation teaching and explore some ways of integrating CAT technology with translation teaching, so as to improve the quality of the translators and the translation work. 展开更多
关键词 computer-aided TRANSLATION TRANSLATION TEACHING TRANSLATION EFFICIENCY
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Computer-aided Translation Technology and Its Applications
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作者 汪美侠 何大顺 《海外英语》 2014年第5X期170-172,共3页
This article begins with a brief analysis of the significance of translation technology in different spheres of modern life,followed by a distinction between machine translation(MT)and computer-aided translation(CAT).... This article begins with a brief analysis of the significance of translation technology in different spheres of modern life,followed by a distinction between machine translation(MT)and computer-aided translation(CAT).It then describes some translation resources and tools and examines the negative and positive aspects of computer-aided translations.Finally it comes to a conclusion that it would be greatly efficient and productive for the translators to acquire the new skills in the translation workplace. 展开更多
关键词 MACHINE TRANSLATION computer-aided TRANSLATION APP
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The computer-aided design method of cabinet based on style imagery 被引量:2
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作者 沈张帆 薛澄岐 +3 位作者 王海燕 牛亚峰 邵将 张晶 《Journal of Southeast University(English Edition)》 EI CAS 2015年第3期369-374,共6页
Due to the practical problems of the high costs and the long development cycle of China’s cabinet production,a computer-aided design method of the cabinet based on style imagery is proposed.According to the principle... Due to the practical problems of the high costs and the long development cycle of China’s cabinet production,a computer-aided design method of the cabinet based on style imagery is proposed.According to the principle of the conjoint analysis method, the rough set theory and the weight coefficient of different components of the cabinet,a multi-dimensional model of style imagery to evaluate the cabinet is built. Then the related constants of style imagery are calculated and the cabinet components library is also built by the three-dimensional modeling.Finally,with recombinant technology and the mapping model between cabinet style and external characteristics,the prototype system based on Visual Studio is proposed.This system actualizes the bidirectional reasoning between product style imagery and the shape features,which can assist designers to produce more creative designs,greatly improve the efficiency of cabinet development and increase the profits of companies. 展开更多
关键词 CABINET computer-aided design style imagery component recombinant shape features
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Parameter optimization of gravity density inversion based on correlation searching and the golden section algorithm 被引量:1
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作者 孙鲁平 刘展 首皓 《Applied Geophysics》 SCIE CSCD 2012年第2期131-138,233,共9页
For density inversion of gravity anomaly data, once the inversion method is determined, the main factors affecting the inversion result are the inversion parameters and subdivision scheme. A set of reasonable inversio... For density inversion of gravity anomaly data, once the inversion method is determined, the main factors affecting the inversion result are the inversion parameters and subdivision scheme. A set of reasonable inversion parameters and subdivision scheme can, not only improve the inversion process efficiency, but also ensure inversion result accuracy. The gravity inversion method based on correlation searching and the golden section algorithm is an effective potential field inversion method. It can be used to invert 2D and 3D physical properties with potential data observed on flat or rough surfaces. In this paper, we introduce in detail the density inversion principles based on correlation searching and the golden section algorithm. Considering that the gold section algorithm is not globally optimized. we present a heuristic method to ensure the inversion result is globally optimized. With a series of model tests, we systematically compare and analyze the inversion result efficiency and accuracy with different parameters. Based on the model test results, we conclude the selection principles for each inversion parameter with which the inversion accuracy can be obviously improved. 展开更多
关键词 Density inversion correlation searching golden section algorithm inversion parameter optimization
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A CONTACT SEARCHING ALGORITHM FOR CONTACT-IMPACT PROBLEMS 被引量:3
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作者 王福军 程建钢 姚振汉 《Acta Mechanica Sinica》 SCIE EI CAS CSCD 2000年第4期374-382,共9页
A new contact searching algorithm for contact-impact systems is proposed in this paper.In terms of the cell structure and the linked-list,this algo- rithm solves the problem of sorting and searching contacts in three ... A new contact searching algorithm for contact-impact systems is proposed in this paper.In terms of the cell structure and the linked-list,this algo- rithm solves the problem of sorting and searching contacts in three dimensions by transforming it to a retrieving process from two one-dimensional arrays,and binary searching is no longer required.Using this algorithm, the cost of contact searching is reduced to the order of O(N)instead of O(Nlog_2N)for traditional ones,where N is the node number in the system.Moreover,this algorithm can handle contact systems with arbitrary mesh layouts.Due to the simplicity of this algorithm it can be easily implemented in a dynamic explicit finite element program.Our numerical experi- mental result shows that this algorithm is reliable arid efficient for contact searching of three dimensional systems. 展开更多
关键词 contact impact contact search finite element method
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Using shapes correlation for active contour segmentation of uterine fibroid ultrasound images in computer-aided therapy 被引量:14
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作者 NI Bo HE Fa-zhi +1 位作者 PAN Yi-teng YUAN Zhi-yong 《Applied Mathematics(A Journal of Chinese Universities)》 SCIE CSCD 2016年第1期37-52,共16页
Segmenting the lesion regions from the ultrasound (US) images is an important step in the intra-operative planning of some computer-aided therapies. High-Intensity Focused Ultrasound (HIFU), as a popular computer-... Segmenting the lesion regions from the ultrasound (US) images is an important step in the intra-operative planning of some computer-aided therapies. High-Intensity Focused Ultrasound (HIFU), as a popular computer-aided therapy, has been widely used in the treatment of uterine fibroids. However, such segmentation in HIFU remains challenge for two reasons: (1) the blurry or missing boundaries of lesion regions in the HIFU images and (2) the deformation of uterine fibroids caused by the patient's breathing or an external force during the US imaging process, which can lead to complex shapes of lesion regions. These factors have prevented classical active contour-based segmentation methods from yielding desired results for uterine fibroids in US images. In this paper, a novel active contour-based segmentation method is proposed, which utilizes the correlation information of target shapes among a sequence of images as prior knowledge to aid the existing active contour method. This prior knowledge can be interpreted as a unsupervised clustering of shapes prior modeling. Meanwhile, it is also proved that the shapes correlation has the low-rank property in a linear space, and the theory of matrix recovery is used as an effective tool to impose the proposed prior on an existing active contour model. Finally, an accurate method is developed to solve the proposed model by using the Augmented Lagrange Multiplier (ALM). Experimental results from both synthetic and clinical uterine fibroids US image sequences demonstrate that the proposed method can consistently improve the performance of active contour models and increase the robustness against missing or misleading boundaries, and can greatly improve the efficiency of HIFU therapy. 展开更多
关键词 Active contour shapes correlation ultrasound image segmentation matrix recovery computer-aided therapy.
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Emergency Local Searching Approach for Job Shop Scheduling 被引量:4
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作者 ZHAO Ning CHEN Siyu DU Yanhua 《Chinese Journal of Mechanical Engineering》 SCIE EI CAS CSCD 2013年第5期918-927,共10页
Existing methods of local search mostly focus on how to reach optimal solution.However,in some emergency situations,search time is the hard constraint for job shop scheduling problem while optimal solution is not nece... Existing methods of local search mostly focus on how to reach optimal solution.However,in some emergency situations,search time is the hard constraint for job shop scheduling problem while optimal solution is not necessary.In this situation,the existing method of local search is not fast enough.This paper presents an emergency local search(ELS) approach which can reach feasible and nearly optimal solution in limited search time.The ELS approach is desirable for the aforementioned emergency situations where search time is limited and a nearly optimal solution is sufficient,which consists of three phases.Firstly,in order to reach a feasible and nearly optimal solution,infeasible solutions are repaired and a repair technique named group repair is proposed.Secondly,in order to save time,the amount of local search moves need to be reduced and this is achieved by a quickly search method named critical path search(CPS).Finally,CPS sometimes stops at a solution far from the optimal one.In order to jump out the search dilemma of CPS,a jump technique based on critical part is used to improve CPS.Furthermore,the schedule system based on ELS has been developed and experiments based on this system completed on the computer of Intel Pentium(R) 2.93 GHz.The experimental result shows that the optimal solutions of small scale instances are reached in 2 s,and the nearly optimal solutions of large scale instances are reached in 4 s.The proposed ELS approach can stably reach nearly optimal solutions with manageable search time,and can be applied on some emergency situations. 展开更多
关键词 emergency local search job shop scheduling problem SCHEDULE critical path critical constraint part
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Compact Scanning Tunneling Microscope with Large Scale Searching Capability for Mmultidisciplinary Applications
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作者 孟文杰 王琦 +2 位作者 张晶 侯玉斌 陆轻铀 《Chinese Journal of Chemical Physics》 SCIE CAS CSCD 2016年第5期523-526,I0001,共5页
We present the design and performance of a home-built scanning tunneling microscope (STM), which is compact (66 mm tall and 25 mm in diameter), yet equipped with a 3D atomic precision piezoelectric motor in which ... We present the design and performance of a home-built scanning tunneling microscope (STM), which is compact (66 mm tall and 25 mm in diameter), yet equipped with a 3D atomic precision piezoelectric motor in which the Z coarse approach relies on a high simplic-ity friction-type walker (of our own invention) driven by an axially cut piezoelectric tube. The walker is vertically inserted in a piezoelectric scanner tube (PST) with its brim laying at on the PST end as the inertial slider (driven by the PST) for the XZ (sample plane) motion. The STM is designed to be capable of searching rare microscopic targets (defects, dopants, boundaries, nano-devices, etc.) in a macroscopic sample area (square millimeters) under extreme conditions (low temperatures, strong magnetic elds, etc.) in which it ts. It gives good atomic resolution images after scanning a highly oriented pyrolytic graphite sample in air at room temperature. 展开更多
关键词 Scanning tunneling microscope Large scale searching Air STM Electrochemical STM
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Application of computer-aided engineering optimum design method in aluminum profile extrusion mould 被引量:8
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作者 帅词俊 肖刚 +1 位作者 倪正顺 钟掘 《Journal of Central South University of Technology》 2003年第1期64-68,共5页
The finite element analysis and the optimum design of aluminum profile extrusion mould were investigated using the ANSYS software and its parameterized modeling method. The optimum dimensions of the mould were obtaine... The finite element analysis and the optimum design of aluminum profile extrusion mould were investigated using the ANSYS software and its parameterized modeling method. The optimum dimensions of the mould were obtained. It is found that the stress distribution is very uneven, and the stress convergence is rather severe in the bridge of the aluminum profile extrusion mould. The optimum height of the mould is 70.527 mm, and the optimum radius of dividing holes are 70.182 mm and 80.663 mm. Increasing the height of the mould in the range of 61.282 mm to 70.422 mm can prolong its longevity, but when the height is over 70.422 mm, its longevity reduces. 展开更多
关键词 EXTRUSION MOULD computer-aided ENGINEERING OPTIMUM design ANSYS
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WFRFT modulation recognition based on HOC and optimal order searching algorithm 被引量:6
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作者 LIANG Yuan DA Xinyu +3 位作者 WU Jialiang XU Ruiyang ZHANG Zhe LIU Hujun 《Journal of Systems Engineering and Electronics》 SCIE EI CSCD 2018年第3期462-470,共9页
A hybrid carrier(HC) scheme based on weighted-type fractional Fourier transform(WFRFT) has been proposed recently.While most of the works focus on HC scheme's inherent characteristics, little attention is paid to... A hybrid carrier(HC) scheme based on weighted-type fractional Fourier transform(WFRFT) has been proposed recently.While most of the works focus on HC scheme's inherent characteristics, little attention is paid to the WFRFT modulation recognition.In this paper, a new theory is provided to recognize the WFRFT modulation based on higher order cumulants(HOC). First, it is deduced that the optimal WFRFT received order can be obtained through the minimization of 4 th-order cumulants, C_(42). Then, a combinatorial searching algorithm is designed to minimize C_(42).Finally, simulation results show that the designed scheme has a high recognition rate and the combinatorial searching algorithm is effective and reliable. 展开更多
关键词 weighted-type fractional Fourier transform(WFRFT) modulation recognition higher order cumulants(HOC) combinatorial searching algorithm
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Enhanced characterization of solid solitary pulmonary nodules with Bayesian analysis-based computer-aided diagnosis 被引量:5
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作者 Simone Perandini Gian Alberto Soardi +9 位作者 Massimiliano Motton Raffaele Augelli Chiara Dallaserra Gino Puntel Arianna Rossi Giuseppe Sala Manuel Signorini Laura Spezia Federico Zamboni Stefania Montemezzi 《World Journal of Radiology》 CAS 2016年第8期729-734,共6页
The aim of this study was to prospectively assess the accuracy gain of Bayesian analysis-based computeraided diagnosis(CAD) vs human judgment alone in characterizing solitary pulmonary nodules(SPNs) at computed tomogr... The aim of this study was to prospectively assess the accuracy gain of Bayesian analysis-based computeraided diagnosis(CAD) vs human judgment alone in characterizing solitary pulmonary nodules(SPNs) at computed tomography(CT). The study included 100 randomly selected SPNs with a definitive diagnosis. Nodule features at first and follow-up CT scans as well as clinical data were evaluated individually on a 1 to 5 points risk chart by 7 radiologists, firstly blinded then aware of Bayesian Inference Malignancy Calculator(BIMC) model predictions. Raters' predictions were evaluated by means of receiver operating characteristic(ROC) curve analysis and decision analysis. Overall ROC area under the curve was 0.758 before and 0.803 after the disclosure of CAD predictions(P = 0.003). A net gain in diagnostic accuracy was found in 6 out of 7 readers. Mean risk class of benign nodules dropped from 2.48 to 2.29, while mean risk class of malignancies rose from 3.66 to 3.92. Awareness of CAD predictions also determined a significant drop on mean indeterminate SPNs(15 vs 23.86 SPNs) and raised the mean number of correct and confident diagnoses(mean 39.57 vs 25.71 SPNs). This study provides evidence supporting the integration of the Bayesian analysis-based BIMC model in SPN characterization. 展开更多
关键词 SOLITARY pulmonary NODULE computer-aided diagnosis Lung NEOPLASMS MULTIDETECTOR COMPUTED tomography Bayesian prediction
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Artificial Searching Swarm Algorithm and Its Performance Analysis 被引量:3
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作者 Tanggong Chen Wang Guo Zhijian Gao 《Applied Mathematics》 2012年第10期1435-1441,共7页
Artificial Searching Swarm Algorithm (ASSA) is a new optimization algorithm. ASSA simulates the soldiers to search an enemy’s important goal, and transforms the process of solving optimization problem into the proces... Artificial Searching Swarm Algorithm (ASSA) is a new optimization algorithm. ASSA simulates the soldiers to search an enemy’s important goal, and transforms the process of solving optimization problem into the process of searching optimal goal by searching swarm with set rules. This work selects complicated and highn dimension functions to deeply analyse the performance for unconstrained and constrained optimization problems and the results produced by ASSA, Genetic Algorithm (GA), Particle Swarm Optimization (PSO), Artificial Fish-Swarm Algorithm (AFSA) have been compared. The main factors which influence the performance of ASSA are also discussed. The results demonstrate the effectiveness of the proposed ASSA optimization algorithm. 展开更多
关键词 Artificial searching SWARM ALGORITHM BIONIC Intelligent OPTIMIZATION ALGORITHM OPTIMIZATION Evolutionary Computation SWARM INTELLIGENCE
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Fast Iterative Closest Point-Simultaneous Localization and Mapping(ICP-SLAM)with Rough Alignment and Narrowing-Scale Nearby Searching 被引量:2
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作者 梁滨 张金艺 唐笛恺 《Journal of Donghua University(English Edition)》 EI CAS 2017年第4期583-590,共8页
Two deficiencies in traditional iterative closest pointsimultaneous localization and mapping( ICP-SLAM) usually result in poor real-time performance. On one hand, relative position between current scan frame and globa... Two deficiencies in traditional iterative closest pointsimultaneous localization and mapping( ICP-SLAM) usually result in poor real-time performance. On one hand, relative position between current scan frame and global map cannot be previously known. As a result, ICP algorithm will take much amount of iterations to reach convergence. On the other hand,establishment of correspondence is done by global searching, which requires enormous computational time. To overcome the two problems,a fast ICP-SLAM with rough alignment and narrowing-scale nearby searching is proposed. As for the decrease of iterative times,rough alignment based on initial pose matrix is proposed. In detail,initial pose matrix is obtained by micro-electro-mechanical system( MEMS) magnetometer and global landmarks. Then rough alignment will be applied between current scan frame and global map at the beginning of ICP algorithm with initial pose matrix. As for accelerating the establishment of correspondence, narrowingscale nearby searching with dynamic threshold is proposed,where match-points are found within a progressively constrictive range.Compared to traditional ICP-SLAM,the experimental results show that the amount of iteration for ICP algorithm to reach convergence reduces to 92. 34% and ICP algorithm runtime reduces to 98. 86% on average. In addition,computational cost is kept in a stable level due to the eliminating of the accumulation of computational consumption. Moreover,great improvement can also been achieved in SLAM quality and robustness. 展开更多
关键词 rough alignment initial pose matrix nearby searching dynamic threshold real-time performance
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Grover quantum searching algorithm based on weighted targets 被引量:1
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作者 Li Panchi Li Shiyong 《Journal of Systems Engineering and Electronics》 SCIE EI CSCD 2008年第2期363-369,共7页
The current Grover quantum searching algorithm cannot identify the difference in importance of the search targets when it is applied to an unsorted quantum database, and the probability for each search target is equal... The current Grover quantum searching algorithm cannot identify the difference in importance of the search targets when it is applied to an unsorted quantum database, and the probability for each search target is equal. To solve this problem, a Grover searching algorithm based on weighted targets is proposed. First, each target is endowed a weight coefficient according to its importance. Applying these different weight coefficients, the targets are represented as quantum superposition states. Second, the novel Grover searching algorithm based on the quantum superposition of the weighted targets is constructed. Using this algorithm, the probability of getting each target can be approximated to the corresponding weight coefficient, which shows the flexibility of this algorithm. Finally, the validity of the algorithm is proved by a simple searching example. 展开更多
关键词 Grover algorithm targets weighting quantum searching quantum computing.
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Integrated computer-aided formulation design:A case study of andrographolide/cyclodextrin ternary formulation 被引量:3
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作者 Haoshi Gao Yan Su +6 位作者 Wei Wang Wei Xiong Xiyang Sun Yuanhui Ji Hua Yu Haifeng Li Defang Ouyang 《Asian Journal of Pharmaceutical Sciences》 SCIE CAS 2021年第4期494-507,共14页
Current formulation development strongly relies on trial-and-error experiments in the laboratory by pharmaceutical scientists,which is time-consuming,high cost and waste materials.This research aims to integrate vario... Current formulation development strongly relies on trial-and-error experiments in the laboratory by pharmaceutical scientists,which is time-consuming,high cost and waste materials.This research aims to integrate various computational tools,including machine learning,molecular dynamic simulation and physiologically based absorption modeling(PBAM),to enhance andrographolide(AG)/cyclodextrins(CDs)formulation design.The light GBM prediction model we built before was utilized to predict AG/CDs inclusion's binding free energy.AG/γ-CD inclusion complexes showed the strongest binding affinity,which was experimentally validated by the phase solubility study.The molecular dynamic simulation was used to investigate the inclusion mechanism between AG andγ-CD,which was experimentally characterized by DSC,FTIR and NMR techniques.PBAM was applied to simulate the in vivo behavior of the formulations,which were validated by cell and animal experiments.Cell experiments revealed that the presence of D-α-Tocopherol polyethylene glycol succinate(TPGS)significantly increased the intracellular uptake of AG in MDCKMDR1 cells and the absorptive transport of AG in MDCK-MDR1 monolayers.The relative bioavailability of the AG-CD-TPGS ternary system in rats was increased to 2.6-fold and 1.59-fold compared with crude AG and commercial dropping pills,respectively.In conclusion,this is the first time to integrate various computational tools to develop a new AG-CD-TPGS ternary formulation with significant improvement of aqueous solubility,dissolution rate and bioavailability.The integrated computational tool is a novel and robust methodology to facilitate pharmaceutical formulation design. 展开更多
关键词 Integrated computer-aided formulation design Machine learning Molecular dynamic simulation Physiologically based absorption modeling ANDROGRAPHOLIDE Cyclodextrins
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