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DPA-2:a large atomic model as a multitask learner

npj Computational Materials 2024年第1期10卷 185-199页

作者： Duo Zhang Xinzijian Liu Xiangyu Zhang Chengqian Zhang Chun Cai Hangrui Bi Yiming Du Xuejian Qin Anyang Peng Jiameng Huang Bowen Li Yifan Shan Jinzhe Zeng Yuzhi Zhang Siyuan Liu Yifan Li Junhan Chang Xinyan Wang Shuo Zhou Jianchuan Liu Xiaoshan Luo Zhenyu Wang Wanrun Jiang Jing Wu Yudi Yang Jiyuan Yang Manyi Yang Fu-Qiang Gong Linshuang Zhang Mengchao Shi Fu-Zhi Dai Darrin M.York Shi Liu Tong Zhu Zhicheng Zhong Jian Lv Jun Cheng Weile Jia Mohan Chen Guolin Ke Weinan E Linfeng Zhang Han Wang AI for Science Institute BeijingP.R.China DP Technology BeijingP.R.China Academy for Advanced Interdisciplinary Studies Peking UniversityBeijingP.R.China State Key Lab of Processors Institute of Computing TechnologyChinese Academy of SciencesBeijingP.R.China University of Chinese Academy of Sciences BeijingP.R.China HEDPS CAPTCollege of EngineeringPeking UniversityBeijingP.R.China Ningbo Institute of Materials Technology and Engineering Chinese Academy of SciencesNingboP.R.China CAS Key Laboratory of Magnetic Materials and Devices and Zhejiang Province Key Laboratory of Magnetic Materials and Application Technology Chinese Academy of SciencesNingboP.R.China School of Electronics Engineering and Computer Science Peking UniversityBeijingP.R.China Shanghai Engineering Research Center of Molecular Therapeutics&New Drug Development School of Chemistry and Molecular EngineeringEast China Normal UniversityShanghaiP.R.China Laboratory for Biomolecular Simulation Research Institute for Quantitative Biomedicine and Department of Chemistry and Chemical BiologyRutgers UniversityPiscatawayNJUSA Department of Chemistry Princeton UniversityPrincetonNJUSA College of Chemistry and Molecular Engineering Peking UniversityBeijingP.R.China Yuanpei College Peking UniversityBeijingP.R.China School of Electrical Engineering and Electronic Information Xihua UniversityChengduP.R.China State Key Laboratory of Superhard Materials College of PhysicsJilin UniversityChangchunP.R.China Key Laboratory of Material Simulation Methods&Software of Ministry of Education College of PhysicsJilin UniversityChangchunP.R.China International Center of Future Science Jilin UniversityChangchunP.R.China Key Laboratory for Quantum Materialsof Zhejiang Province Department of PhysicsSchool of ScienceWestlake UniversityHangzhouP.R.China Atomistic Simulations Italian Institute of TechnologyGenovaItaly State Key Laboratory of Physical Chemistry of Solid Surface iChEMCollege of Chemistry and Chemical EngineeringXiame

The rapid advancements in artificial intelligence(AI)are catalyzing transformative changes in atomic modeling,simulation,and ***-driven potential energy models havedemonstrated the capability to conduct large-scale,long-duration simulations with the accuracy of ab initio electronic structure ***,the model generation process remains a bottleneck for large-scale *** propose a shift towards a model-centric ecosystem,wherein a large atomic model(LAM),pretrained across multiple disciplines,can be efficiently fine-tuned and distilled for various downstream tasks,thereby establishing a new framework for molecular *** this study,we introduce the DPA-2 architecture as a prototype for ***-trained on a diverse array of chemical and materials systemsusing a multi-task approach,DPA-2demonstrates superior generalization capabilities across multiple downstream tasks compared to the traditional single-task pre-training and fine-tuning *** approach sets the stage for the development and broad application of LAMs in molecular and materials simulation research.

关键词： DPA establishing thereby

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Edge AI-Based Dynamic Treatment Strategy Generation Model for Consumer Healthcare Technology

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IEEE Transactions on Consumer Electronics 2024年

作者： Byeon, Haewon Alsaadi, Mahmood Quraishi, Aadam Shabaz, Mohammad Ahanger, Tariq Ahamed Keshta, Ismail Saidova, Feruza Soni, Mukesh Karumuri, Srinivasa Rao Inje University Department of AI and Software Gimhae50834 Korea Republic of Al-Maarif University College Department of computer science Al Anbar31001 Iraq Intervention Treatment Institute M.D. Research HoustonTX United States Model Institute of Engineering and Technology J and K Jammu India CoBA Prince Sattam Bin Abdulaziz University Department of Management Information Systems Saudi Arabia AlMaarefa University College of Applied Sciences Computer Science and Information Systems Department Riyadh Saudi Arabia Tashkent State University of Economics Department of Foreign languages Tashkent Uzbekistan Lovely Professional University Division of Research and Development Phagwara India VLSI-Microelectronics Lab Department of Electronics and Communication Engineering Andhra Pradesh Vaddeswaram Guntur522302 India

Edge AI-based reinforcement learning is less reliant on mathematical models and relies on experience to help with the design and optimization of Consumer Technology models, making it ideal for learning dynamic treatment techniques. However, the current research still has the following problems: 1. The optimality of the learned strategy is considered without taking risks into account, leading to strategies with certain risks. 2. The issue of distribution shift is ignored, resulting in learned strategies that are completely different from those of doctors. 3. The patient's historical observational data and treatments are ignored, making it difficult to accurately assess the patient's state, which in turn leads to the inability to learn the optimal strategy. Based on this, we propose the DOSAC-DTR dynamic treatment strategy model, which integrates Dead-ends and offline monitoring into the Actor-Critic framework. First, we consider the risk of treatment actions recommended by the learned strategy and incorporate the concept of Dead-ends into the Actor-Critic framework. Second, to mitigate the distribution shift problem, we integrate physician monitoring into the Actor-Critic framework. This approach achieves better performance, resulting in lower estimated mortality rates and higher Jaccard index scores. © 1975-2011 IEEE.

关键词： Reinforcement learning

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Application of Kronecker convolutions in deep learning technique for automated detection of kidney stones with coronal CT images

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Information Sciences 2023年 640卷

作者： Patro, Kiran Kumar Allam, Jaya Prakash Neelapu, Bala Chakravarthy Tadeusiewicz, Ryszard Acharya, U Rajendra Hammad, Mohamed Yildirim, Ozal Plawiak, Pawel Department of Electronics and Communication Engineering Aditya Institute of Technology and Management AP Tekkali532201 India Department of Electronics and Communication Engineering National Institute of Technology Rourkela Odisha Rourkela769008 India Department of Biotechnology and Medical Engineering National Institute of Technology Rourkela Odisha Rourkela769008 India AGH University of Science and Technology Department of Biocybernetics and Biomedical Engineering Krakow Poland School of Mathematics Physics and Computing University of Southern Queensland Springfield Australia EIAS Data Science Lab College of Computer and Information Sciences Prince Sultan University Riyadh11586 Saudi Arabia Department of Information Technology Faculty of Computers and Information Menoufia University Shibin El Kom32511 Egypt Department of Software Engineering Firat University Elazig Turkey Department of Computer Science Faculty of Computer Science and Telecommunications Cracow University of Technology Warszawska 24 Krakow31-155 Poland Institute of Theoretical and Applied Informatics Polish Academy of Sciences Baltycka 5 Gliwice44-100 Poland

Kidney stone disease is a serious public health concern that is getting worse with changes in diet, obesity, medical conditions, certain supplements etc. A kidney stone also called a renal calculus, is a hard buildup of urine minerals that form in the kidneys. Computed tomography (CT) is one of the imaging models used to identify kidney stones by clinical experts. Due to the low resolution of these images, sometimes detecting kidney stones is tedious with the naked eye, which may lead to false alarms. In this work, a computer-based diagnosis system with a deep learning technique has been developed as a practical solution to aid clinicians in their diagnosis. The traditional convolutional neural network (CNN)-based deep learning technology can detect stones in the kidney. Still, it suffers from the performance and standard implementation of the convolution operations in convolution layers. A Kronecker product-based convolution technique is incorporated in the proposed deep learning architecture to reduce the redundancy in feature maps without convolution overlapping. Our proposed method helps to make the network more effective by extracting abstract and in-depth features from the input images. The publicly available GitHub kidney stone CT scans are utilized to develop the proposed architecture. Our automated model detected kidney stones with an accuracy of 98.56% utilizing CT images. Our system is more effective than the most recent and cutting-edge techniques developed for identifying kidney stones of any size, including the smallest ones. © 2023 The Author(s)

关键词： Convolution

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A New Multi-Agent Feature Wrapper Machine Learning Approach for Heart Disease Diagnosis

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Computers, Materials & Continua 2021年第4期67卷 51-71页

作者： Mohamed Elhoseny Mazin Abed Mohammed Salama A.Mostafa Karrar Hameed Abdulkareem Mashael S.Maashi Begonya Garcia-Zapirain Ammar Awad Mutlag Marwah Suliman Maashi Department of Computer Science College of Computer Information TechnologyAmerican University in the Emirates503000United Arab Emirates College of Computer Science and Information Technology University of AnbarRamadi31001Iraq Faculty of Computer Science and Information Technology Universiti Tun Hussein Onn MalaysiaJohor86400Malaysia College of Agriculture Al-Muthanna UniversitySamawah66001Iraq Department of Software Engineering College of Computer and Information SciencesKing Saud UniversityRiyadh11451Saudi Arabia eVIDA Lab University of DeustoBilbao48007Spain Department of Pure Science Ministry of EducationGeneral Directorate of CurriculaBaghdadIraq Department of Medical Laboratory Science Faculty of Applied Medical ScienceKing Abdulaziz UniversityJeddah21589Saudi Arabia

Heart disease(HD)is a serious widespread life-threatening *** heart of patients with HD fails to pump sufcient amounts of blood to the entire *** the occurrence of HD early and efciently may prevent the manifestation of the debilitating effects of this disease and aid in its effective *** methods for diagnosing HD are sometimes unreliable and insufcient in analyzing the related *** an alternative,noninvasive medical procedures based on machine learning(ML)methods provide reliable HD diagnosis and efcient prediction of HD ***,the existing models of automated ML-based HD diagnostic methods cannot satisfy clinical evaluation criteria because of their inability to recognize anomalies in extracted symptoms represented as classication features from patients with *** this study,we propose an automated heart disease diagnosis(AHDD)system that integrates a binary convolutional neural network(CNN)with a new multi-agent feature wrapper(MAFW)*** MAFW model consists of four software agents that operate a genetic algorithm(GA),a support vector machine(SVM),and Naïve Bayes(NB).The agents instruct the GA to perform a global search on HD features and adjust the weights of SVM and BN during initial classication.A nal tuning to CNN is then performed to ensure that the best set of features are included in HD *** CNN consists of ve layers that categorize patients as healthy or with HD according to the analysis of optimized HD *** evaluate the classication performance of the proposed AHDD system via 12 common ML techniques and conventional CNN models by using across-validation technique and by assessing six evaluation *** AHDD system achieves the highest accuracy of 90.1%,whereas the other ML and conventional CNN models attain only 72.3%–83.8%accuracy on ***,the AHDD system proposed herein has the highest capability to identify patients with *** system can be used by medical

关键词： Heart disease machine learning multi-agent feature wrapper model heart disease diagnosis HD cleveland datasets convolutional neural network

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Toward a Way to Benchmark Multilevel Inverter Topologies Based on Level to Components Ratio

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Canadian Journal of Electrical and Computer engineering 2019年第2期42卷 78-92页

作者： Sheir, Ahmed Orabi, Mohamed Youssef, Mohamed Z. Ahmed, Mahrous Department of Electrical Computer and Software Engineering Power Electronics and Drives Applications Lab School of Engineering and Applied Science University of Ontario Institute of Technology OshawaONL1H 1K7 Canada Department of Electrical Engineering Aswan Power Electronics Applications Research Center Faculty of Engineering Aswan81542 Egypt

This paper introduces a generalized platform for the design selection of multilevel inverters (MLIs) topologies for any industry, especially in low-and medium-power applications. This platform is novel as it combines the component count and stress in any MLI in a normalized unique score. Each MLI topology is designed to match specific criteria to meet a specific application, which introduces diversified sets of merits and demerits in each case. Therefore, choosing a suitable MLI topology for the specific application is rather a difficult, time-consuming, and complex process. Moreover, the comparison can only be conducted between MLI topologies that fall under the same category. This paper introduces a comprehensive study to propose a new benchmark (BM) which can be used to compare MLI topologies regardless of their constructions or oriented applications. Each MLI topology gets a BM score based on comparative factors that evaluate its components quantitatively and qualitatively. Thus, comparing different types of MLI topologies is a simple process of comparing their calculated BM scores leading to better well-informed choice. First, the proposed BM-derived forms are discussed. Then, the proposed methodology is illustrated by applying to various types of MLI topologies including conventional and recently introduced ones. © 2003-2010 IEEE Canada.

关键词： Topology

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A value-function-based interior-point method for non-convex bi-level optimization

arXiv

引用

arXiv 2021年

作者： Liu, Risheng Liu, Xuan Yuan, Xiaoming Zeng, Shangzhi Zhang, Jin DUT-RU International School of Information Science and Engineering Dalian University of Technology Key Laboratory for Ubiquitous Network Service Software of Liaoning Province Pazhou Lab Guangzhou China Department of Mathematics The University of Hong Kong Department of Mathematics Southern University of Science and Technology National Center for Applied Mathematics Shenzhen China

Bi-level optimization model is able to capture a wide range of complex learning tasks with practical interest. Due to the witnessed efficiency in solving bi-level programs, gradient-based methods have gained popularity in the machine learning community. In this work, we propose a new gradient-based solution scheme, namely, the Bilevel Value-Function-based Interior-point Method (BVFIM). Following the main idea of the log-barrier interior-point scheme, we penalize the regularized value function of the lower level problem into the upper level objective. By further solving a sequence of differentiable unconstrained approximation problems, we consequently derive a sequential programming scheme. The numerical advantage of our scheme relies on the fact that, when gradient methods are applied to solve the approximation problem, we successfully avoid computing any expensive Hessian-vector or Jacobian-vector product. We prove the convergence without requiring any convexity assumption on either the upper level or the lower level objective. Experiments demonstrate the efficiency of the proposed BVFIM on non-convex bi-level problems. © 2021, CC BY.

关键词： Gradient methods

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Theoretical evidence of H-He demixing under Jupiter and Saturn conditions

arXiv

引用

arXiv 2023年

作者： Chang, Xiaoju Chen, Bo Zeng, Qiyu Wang, Han Chen, Kaiguo Tong, Qunchao Yu, Xiaoxiang Kang, Dongdong Zhang, Shen Guo, Fangyu Hou, Yong Zhao, Zengxiu Yao, Yansun Ma, Yanming Dai, Jiayu College of Science National University of Defense Technology Changsha410073 China Hunan Key Laboratory of Extreme Matter and Applications National University of Defense Technology Changsha410073 China Laboratory of Computational Physics Institute of Applied Physics and Computational Mathematics Beijing100088 China Department of Physics and Engineering Physics University of Saskatchewan SaskatoonSKS7N 5E2 Canada State Key Lab of Superhard Materials International Center for Computational Method and Software College of Physics Jilin University Changchun130012 China International Center of Future Science Jilin University Changchun130012 China

The immiscibility of hydrogen-helium mixture under the temperature and pressure conditions of planetary interiors is crucial for understanding the structures of gas giant planets (e.g., Jupiter and Saturn). While the experimental probe at such extreme conditions is challenging, theoretical simulation is heavily relied in an effort to unravel the mixing behavior of hydrogen and helium. Here we develop a method via a machine learning accelerated molecular dynamics simulation to quantify the physical separation of hydrogen and helium under the conditions of planetary interiors. The immiscibility line achieved with the developed method yields substantially higher demixing temperatures at pressure above 1.5 Mbar than earlier theoretical data, but matches better to the experimental estimate. Our results suggest a possibility that H-He demixing takes place in a large fraction of the interior radii of Jupiter and Saturn, i.e., 27.5% in Jupiter and 48.3% in Saturn. This indication of an H-He immiscible layer hints at the formation of helium rain and offers a potential explanation for the decrease of helium in the atmospheres of Jupiter and Saturn. © 2023, CC BY.

关键词： Planets

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Deep Learning Audio Spectrograms Processing to the Early COVID-19 Detection

Deep Learning Audio Spectrograms Processing to the Early COV...

引用

International Conference on Computational Intelligence and Communication Networks (CICN)

作者： Ciro Rodriguez Rodriguez Daniel Angeles Renzo Chafloque Freddy Kaseng Bishwajeet Pandey Software Engineering School National University Mayor de San Marcos Lima Peru Mechatronic Engineering Program National University Federico Villarreal Lima Peru Gyancity Research Lab Birla Institute of Applied Science Bhintal India

ISBN: (数字)9781728193939

ISBN: (纸本)9781728193946

The objective of the paper is to provide a model capable of serving as a basis for retraining a convolutional neural network that can be used to detect COVID-19 cases through spectrograms of coughing, sneezing and other respiratory sounds from infected people. To address this challenge, the methodology was focused on Deep Learning technics worked with a dataset of sounds of sick and non-sick people, and using ImageNet's Xception architecture to train the model to be presented through Fine-Tuning. The results obtained were a precision of 0.75 to 0.80, this being drastically affected by the quality of the dataset at our availability, however, when getting relatively high results for the conditions of the data used, we can conclude that the model can present much better results if it is working with a dataset specifically of respiratory sounds of COVID-19 cases with high quality.

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Deep Learning applied to Capacity Control in Commercial Establishments in Times of COVID-19

Deep Learning Applied to Capacity Control in Commercial Esta...

引用

International Conference on Computational Intelligence and Communication Networks (CICN)

作者： Ciro Rodriguez Rodriguez Diana Luque Carlos La Rosa Doris Esenarro Bishwajeet Pandey Software Engineering School National University Mayor de San Marcos Lima Peru National University Federico Villarreal Lima Peru Gyancity Research Lab Birla Institute of Applied Science Bhintal India

ISBN: (数字)9781728193939

ISBN: (纸本)9781728193946

This research paper was developed to implement an intelligent solution for This research paper was developed to implement an intelligent solution for the control of the capacity of commercial establishments in times of COVID-19 using Yolo, which is a Convolutional Neural Network and a Deep Learning algorithm. For the application of this solution, a COCO dataset was used that is used in the implementation of Yolov4. A computer module was developed for the analysis of the flow of people, using Python 3.7, which mainly consists of an algorithm that determines the path and direction (movement) of a person, and this is evaluated in a limit o threshold that acts as the entrance and exit door of the main establishment; that is, it determines whether a person leaves or enters according to their route and direction. The results indicate that it is possible to implement this solution as an additional monitoring module for use as capacity control and with this offer a complete alternative to the owners of commercial establishments. In this way, it seeks to control the maximum capacity allowed due to the pandemic generated by the Sars-Cov.2 virus. The tests were conducted using an AMD Ryzen 7 3750H processor and an NVIDIA GTX 1660 TI video card. The possibility of determining whether the number of people who entered less than the number of people who left exceeds the maximum allowed by the pandemic on 50% of the real capacity.

关键词： Deep learning COVID-19 Pandemics Neural networks Convolutional neural networks Monitoring Viruses (medical)

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Kurdish Handwritten Character Recognition using Deep Learning Techniques

arXiv

引用

arXiv 2022年

作者： Ahmed, Rebin M. Rashid, Tarik A. Fattah, Polla Alsadoon, Abeer Bacanin, Nebojsa Mirjalili, Seyedali Vimal, S. Chhabra, Amit IT Department Faculty of Applied Science Tishk International University Erbil Iraq Computer Science and Engineering Department University of Kurdistan Hewler Erbil Iraq Software and Informatics Engineering Salahaddin University-Erbil- Erbil Iraq School of Computing and Mathematics Charles Sturt University Sydney Australia Sydney Australia Singidunum University Belgrade Serbia Centre for Artificial Intelligence Research and Optimisation Torrens University Australia Yonsei Frontier Lab Yonsei University Seoul Korea Republic of Department of Artificial Intelligence and Data Science Ramco Institute of Technology North Venganallur Village Virudhunagar District Tamilnadu Rajapalayam626 117 India Department of Computer Engineering and Technology Guru Nanak Dev University Amritsar India

Handwriting recognition is one of the active and challenging areas of research in the field of image processing and pattern recognition. It has many applications that include: a reading aid for visual impairment, automated reading and processing for bank checks, making any handwritten document searchable, and converting them into structural text form, etc. Moreover, high accuracy rates have been recorded by handwriting recognition systems for English, Chinese Arabic, Persian, and many other languages. Yet there is no such system available for offline Kurdish handwriting recognition. In this paper, an attempt is made to design and develop a model that can recognize handwritten characters for Kurdish alphabets using deep learning techniques. Kurdish (Sorani) contains 34 characters and mainly employs an Arabic\Persian based script with modified alphabets. In this work, a Deep Convolutional Neural Network model is employed that has shown exemplary performance in handwriting recognition systems. Then, a comprehensive dataset was created for handwritten Kurdish characters, which contains more than 40 thousand images. The created dataset has been used for training the Deep Convolutional Neural Network model for classification and recognition tasks. In the proposed system, the experimental results show an acceptable recognition level. The testing results reported a 96% accuracy rate, and training accuracy reported a 97% accuracy rate. From the experimental results, it is clear that the proposed deep learning model is performing well and is comparable to the similar model of other languages' handwriting recognition systems. © 2022, CC BY.

关键词： Convolutional neural networks

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