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Machine Learning-Based Methods for Materials Inverse Design: A Review

computers, Materials & Continua 2025年第2期82卷 1463-1492页

作者： Yingli Liu Yuting Cui Haihe Zhou Sheng Lei Haibin Yuan Tao Shen Jiancheng Yin Faculty of Information Engineering and Automation Kunming University of Science and TechnologyKunming650093China Yunnan Key Laboratory of Computer Technologies Application Kunming University of Science and TechnologyKunming650500China Yunnan Tin Company Limited Tin Industry Branch Gejiu661000China Faculty of Materials Science and Engineering Kunming University of Science and TechnologyKunming650093China

Finding materials with specific properties is a hot topic in materials *** materials design relies on empirical and trial-and-error methods,requiring extensive experiments and time,resulting in high *** the development of physics,statistics,computer science,and other fields,machine learning offers opportunities for systematically discovering new *** through machine learning-based inverse design,machine learning algorithms analyze the mapping relationships between materials and their properties to find materials with desired *** paper first outlines the basic concepts of materials inverse design and the challenges faced by machine learning-based approaches to materials inverse ***,three main inverse design methods—exploration-based,model-based,and optimization-based—are analyzed in the context of different application ***,the applications of inverse design methods in alloys,optical materials,and acoustic materials are elaborated on,and the prospects for materials inverse design are *** authors hope to accelerate the discovery of new materials and provide new possibilities for advancing materials science and innovative design methods.

关键词： Materials inverse design machine learning target properties deep learning new materials discovery

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Developing microwave-induced thermoacoustic tomography:System,application,and reconstruction

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Journal of Electronic Science and technology 2023年第4期21卷 1-19页

作者： Shuang-Li Liu Wan-Ting Peng Xiao-Zhang Zhu Jian Song Xin Shang Hua Zhang Zhi-Qin Zhao School of Information Engineering Southwest University of Science and TechnologyMianyang621010China School of Electronic Science and Engineering University of Electronic Science and Technology of ChinaChengdu611731China Yunnan Key Laboratory of Computer Technologies Application Kunming University of Science and TechnologyKunming650500China

A microwave-induced thermoacoustic imaging(MITAT)system is a non-destructive physical medical imaging method that combines the advantages of the high contrast of microwave imaging and the high resolution of ultrasound *** uses the microwave as the excitation source and ultrasound as the information *** different kinds of biological tissue absorb electromagnetic energy,it results in localized temperature *** thermal expansion will induce ultrasonic signals(i.e.,thermoacoustic signals),known as the thermoacoustic *** microwave absorption image of the sample can be reconstructed by algorithm *** MITAT contrast depends on different dielectric parameters of different kinds of *** introduce the developed system and its *** addition,the challenges and prospects of MITAT for further development are discussed.

关键词： application Microwave-induced thermoacoustic tomography(MITAT) Reconstruction System

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Image inpainting via Smooth Tucker decomposition and Low-rank Hankel constraint

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International Journal of computers and applications 2023年第6期45卷 421-432页

作者： Cai, Jing Jiang, Jiawei Wang, Yibing Zheng, Jianwei Xu, Honghui Department of Forensic Science Zhejiang Police College Hangzhou China Key Laboratory of Public Security Information Application Based on Big-Data Architecture Hangzhou China College of Computer Science and Technology Zhejiang University of Technology Hangzhou China

Image inpainting, aiming at exactly recovering missing pixels from partially observed entries, is typically an ill-posed problem. As a powerful constraint, low-rank priors have been widely applied in image inpainting to transform such problems into well-posed ones. However, the low-rank assumption of original visual data is only in an approximate mode, which in turn results in suboptimal recovery of fine-grained details, particularly when the missing rate is extremely high. Moreover, a single prior cannot faithfully capture the complex texture structure of an image. In this paper, we propose a joint usage of Smooth Tucker decomposition and Low-rank Hankel constraint (STLH) for image inpainting, which enables simultaneous capturing of the global low-rankness and local piecewise smoothness. Specifically, based on the Hankelization operation, the original image is mapped to a high-order structure for capturing more spatial and spectral information. By employing Tucker decomposition for optimizing the Hankel tensor and simultaneously applying Discrete Total Variation (DTV) to the Tucker factors, sharper edges are generated and better isotropic properties are enhanced. Moreover, to approximate the essential rank of the Tucker decomposition and avoid facing the uncertainty problem of the upper-rank limit, a reverse strategy is adopted to approximate the true rank of the Tucker decomposition. Finally, the overall image inpainting model is optimized by the well-known alternate least squares (ALS) algorithm. Extensive experiments show that the proposed method achieves state-of-the-art performance both quantitatively and qualitatively. Particularly, in the extreme case with 99% pixels missed, the results from STLH are averagely ahead of others at least 0.9dB in terms of PSNR values. © 2023 Informa UK Limited, trading as Taylor & Francis Group.

关键词： Pixels

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Robust and Trustworthy Data Sharing Framework Leveraging On-Chain and Off-Chain Collaboration

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computers, Materials & Continua 2024年第2期78卷 2159-2179页

作者： Jinyang Yu Xiao Zhang Jinjiang Wang Yuchen Zhang Yulong Shi Linxuan Su Leijie Zeng School of Computer Science Northwestern Polytechnical UniversityXi’an710072China MIIT Key Laboratory of Big Data Storage and Management Northwestern Polytechnical UniversityXi’an710072China National Engineering Laboratory for Integrated Aero-Space-Ground-Ocean Big Data Application Technology Northwestern Polytechnical UniversityXi’an710072China

The proliferation of Internet of Things(IoT)systems has resulted in the generation of substantial data,presenting new challenges in reliable storage and trustworthy *** distributed storage systems are hindered by centralized management and lack traceability,while blockchain systems are limited by low capacity and high *** address these challenges,the present study investigates the reliable storage and trustworthy sharing of IoT data,and presents a novel system architecture that integrates on-chain and off-chain data manage *** architecture,integrating blockchain and distributed storage technologies,provides high-capacity,high-performance,traceable,and verifiable data storage and *** on-chain system,built on Hyperledger Fabric,manages metadata,verification data,and permission information of the raw *** off-chain system,implemented using IPFS Cluster,ensures the reliable storage and efficient access to massive files.A collaborative storage server is designed to integrate on-chain and off-chain operation interfaces,facilitating comprehensive data *** provide a unified access interface for user-friendly system *** testing validates the system’s reliability and stable *** proposed approach significantly enhances storage capacity compared to standalone blockchain *** reliability tests consistently yield positive *** average upload and download throughputs of roughly 20 and 30 MB/s,respectively,the system’s throughput surpasses the blockchain system by a factor of 4 to 18.

关键词： On-chain and off-chain collaboration blockchain distributed storage system hyperledger fabric IPFS cluster

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NOMA in Flexible Optical Access Network: Principle, Advantage and Challenges 21

NOMA in Flexible Optical Access Network: Principle, Advantag...

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21st International Conference on Optical Communications and Networks, ICOCN 2023

作者： Chai, Jia Feng, Nan Ma, Mingyi Li, Zhe Li, Shaobo Beijing Institute of Computer Technology and Application China The 54th Research Institute of Cetc Shijiazhuang050081 China Hebei Key Laboratory of Photonic Information Technology and Application Shijiazhuang050081 China

We summarize the current principle, advantage, and challenges of power domain non-orthogonal multiple access technology which exploited the benefits of different channel gains of passive optical network to improve the... 详细信息

ISBN: (纸本)9798350343502

关键词： Passive optical networks

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BPDST: Blockchain-Based Privacy-Preserving Data Sharing on Thin Client for Electronic Medical Records

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Journal of Computing and Information technology 2022年第4期29卷 235-250页

作者： Xu, Lu Lin, Mengchen Feng, Yong Sun, Yani Yunnan Provincial Key Laboratory of Computer Technology Applications Kunming University of Science and Technology Kunming China Yunnan Provincial Key Laboratory of Blockchain Application Technology Yunnan Innovation Research Institute of Beijing University of Aeronautics and Astronautics Kunming China

Sharing medical data can improve the quality of medical services and reduce costs. However, the current Electronic Medical Records (EMRs) are scattered and easily tampered with, which is not conducive to the sharing of EMRs and is not compatible with thin clients. Fortunately, blockchain technology is tamper-proof, decentralized, auditable, and meets the above requirements. To solve these problems, we first propose Blockchain-Based Privacy-Preserving Data Sharing on Thin-Client for Electronic Medical Records (BPDST) approach that combines the k-anonymity and cloud storage, which thin clients can run like a full-node user and safeguard user's EMRs privacy concurrently. Using this approach, patients can control their own EMRs, while the consortium blockchain is responsible for the transaction process and sending the correct results to the patients. BPDST can also share information without leaking or tampering with EMRs' privacy, achieving the purpose of sharing medical data and privacy protection. In the medical field, this study can effectively protect users' privacy when sharing medical data to provide convenience for users and break the "island" phenomenon among various medical institutions. Security analysis and extensive experiments show that BPDST is secure and practical for sharing EMRs © 2022, Journal of Computing and Information *** Rights Reserved.

关键词： Blockchain

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Music conditioned 2D hand gesture dance generation with HGS

Music conditioned 2D hand gesture dance generation with HGS

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作者： Zhou, Dian Liu, Shiguang Xu, Qing School of Computer Science and Technology College of Intelligence and Computing Tianjin University Tianjin China Tianjin Key Laboratory of Cognitive Computing and Application Tianjin University Tianjin China

In recent years, the short video industry is booming. However, there are still many difficulties in the action generation of virtual characters. We observed that on the short video social platform, "hand gesture dance" is a very popular short video form. However, its development is limited by the professionalism of choreography. In order to solve these problems, we propose an intelligent choreography framework, which can generate new gesture sequences for unseen audio based on pairing data in the database. Our framework adopts multimodal method and obtains excellent results. In additional, we collected and produced the first and largest pair labeled hand gesture dance data set. Various experiments showed that our results not only generate smooth and rich action sequences, but also collect some semantic information contained in the audio. © 2023 John Wiley & Sons Ltd.

关键词： Semantics

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Visible and Infrared Image Fusion for Object Detection: A Survey

Visible and Infrared Image Fusion for Object Detection: A Su...

引用

International Conference on Image, Vision and Intelligent Systems, ICIVIS 2023

作者： Sun, Yuxuan Meng, Yuanqin Wang, Qingbo Tang, Minghua Shen, Tao Wang, Qingwang School of Information Engineering and Automation Yunnan Key Laboratory of Computer Technologies Application Kunming University of Science and Technology Kunming China Naval Research Academy Beijing China

ISBN: (纸本)9789819708543

Thanks to the advancements of Deep Learning (DL) Algorithms. DL-based object detection models has witnessed remarkable success in the past few years. By leveraging deep convolutional neural networks (CNNs) and other deep learning models, rich feature representations can be effectively extracted from visible (RGB) images for object detection. However, for challenging scenarios such as low-light conditions and haze, the performance of object detection using visible images is often not satisfactory. On the other hand, thermal camera, which is unaffected by lighting conditions, can penetrate through low-light and hazy environments to capture object images. However, infrared images lack edge and texture information of objects. Recognizing the complementary nature of visible and infrared images, researchers have explored the fusion of visible and infrared images for object detection, yielding promising research outcomes. This paper provides an analysis of the current research status of visible and infrared image fusion for object detection. Firstly, the fusion models are categorized into three kinds: pixel-level fusion, feature-level fusion, and decision-level fusion. Several models within each category are discussed. Furthermore, this paper summarizes five datasets that can be utilized for training RGB-Infrared object detection models and compares the experimental results of selected models on the KAIST dataset. Lastly, the paper concludes with a summary of existing challenges in the field and offers some reflections on future directions. © The Author(s), under exclusive license to Springer Nature Singapore Pte Ltd. 2024.

关键词： Object detection

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Bit-mask Robust Contrastive Knowledge Distillation for Unsupervised Semantic Hashing 24

Bit-mask Robust Contrastive Knowledge Distillation for Unsup...

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33rd ACM Web Conference, WWW 2024

作者： He, Liyang Huang, Zhenya Liu, Jiayu Chen, Enhong Wang, Fei Sha, Jing Wang, Shijin School of Computer Science and Technology University of Science and Technology of China State Key Laboratory of Cognitive Intelligence Hefei China School of Data Science University of Science and Technology of China State Key Laboratory of Cognitive Intelligence Hefei China Anhui Province Key Laboratory of Big Data Analysis and Application University of Science and Technology of China State Key Laboratory of Cognitive Intelligence Hefei China State Key Laboratory of Cognitive Intelligence Hefei China

ISBN: (纸本)9798400701719

Unsupervised semantic hashing has emerged as an indispensable technique for fast image search, which aims to convert images into binary hash codes without relying on labels. Recent advancements in the field demonstrate that employing large-scale backbones (e.g., ViT) in unsupervised semantic hashing models can yield substantial improvements. However, the inference delay has become increasingly difficult to overlook. Knowledge distillation provides a means for practical model compression to alleviate this delay. Nevertheless, the prevailing knowledge distillation approaches are not explicitly designed for semantic hashing. They ignore the unique search paradigm of semantic hashing, the inherent necessities of the distillation process, and the property of hash codes. In this paper, we propose an innovative Bit-mask Robust Contrastive knowledge Distillation (BRCD) method, specifically devised for the distillation of semantic hashing models. To ensure the effectiveness of two kinds of search paradigms in the context of semantic hashing, BRCD first aligns the semantic spaces between the teacher and student models through a contrastive knowledge distillation objective. Additionally, to eliminate noisy augmentations and ensure robust optimization, a cluster-based method within the knowledge distillation process is introduced. Furthermore, through a bit-level analysis, we uncover the presence of redundancy bits resulting from the bit independence property. To mitigate these effects, we introduce a bit mask mechanism in our knowledge distillation objective. Finally, extensive experiments not only showcase the noteworthy performance of our BRCD method in comparison to other knowledge distillation methods but also substantiate the generality of our methods across diverse semantic hashing models and backbones. The code for BRCD is available at https://***/hly1998/BRCD. © 2024 Owner/Author.

关键词： Distillation

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RGB-guided hyperspectral image super-resolution with deep progressive learning

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CAAI Transactions on Intelligence technology 2024年第3期9卷 679-694页

作者： Tao Zhang Ying Fu Liwei Huang Siyuan Li Shaodi You Chenggang Yan School of Computer Science and Technology Beijing Institute of TechnologyBeijingChina Satellite Information Intelligent Processing and Application Research Laboratory Beijing Institute of Remote SensingBeijingChina Key Laboratory of Spectral Imaging Technology Xi'an Institute of Optics and Precision Mechanics of Chinese Academy of SciencesXi'anChina Institute of Informatics University of AmsterdamAmsterdamNetherlands School of Communication Engineering Hangzhou Dianzi UniversityHangzhouChina

Due to hardware limitations,existing hyperspectral(HS)camera often suffer from low spatial/temporal ***,it has been prevalent to super-resolve a low reso-lution(LR)HS image into a high resolution(HR)HS image with a HR RGB(or mul-tispectral)image *** approaches for this guided super-resolution task often model the intrinsic characteristic of the desired HR HS image using hand-crafted ***,researchers pay more attention to deep learning methods with direct supervised or unsupervised learning,which exploit deep prior only from training dataset or testing *** this article,an efficient convolutional neural network-based method is presented to progressively super-resolve HS image with RGB image ***-ically,a progressive HS image super-resolution network is proposed,which progressively super-resolve the LR HS image with pixel shuffled HR RGB image ***,the super-resolution network is progressively trained with supervised pre-training and un-supervised adaption,where supervised pre-training learns the general prior on training data and unsupervised adaptation generalises the general prior to specific prior for variant testing *** proposed method can effectively exploit prior from training dataset and testing HS and RGB images with spectral-spatial *** has a good general-isation capability,especially for blind HS image *** experimental results show that the proposed deep progressive learning method out-performs the existing state-of-the-art methods for HS image super-resolution in non-blind and blind cases.

关键词： computer vision deep neural networks image processing image resolution unsupervised learning

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