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Auto-MatRegressor材料性能自动预测器:解放材料机器学习"调参师"

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Science Bulletin 2023年第12期68卷 1259-1270,M0004页

作者：刘悦王双燕杨正伟 Maxim Avdeev 施思齐 School of Computer Engineering and Science Shanghai UniversityShanghai 200444China Shanghai Engineering Research Center of Intelligent Computing System Shanghai 200444China State Key Laboratory of Advanced Special Steel School of Materials Science and EngineeringShanghai UniversityShanghai 200444China Materials Genome Institute Shanghai UniversityShanghai 200444China Zhejiang Laboratory Hangzhou 311100China Australian Nuclear Science and Technology Organisation Sydney 2232Australia School of Chemistry The University of SydneySydney 2006Australia

机器学习因其能够快速、精准拟合数据的潜在模式而被广泛应用于材料构效关系研究。然而,材料科学家往往需要进行繁琐的模型选择及参数寻优才能构建出高精度预测模型,为了解放材料机器学习"调参师",本文研发了基于元学习的材... 详细信息

机器学习因其能够快速、精准拟合数据的潜在模式而被广泛应用于材料构效关系研究。然而,材料科学家往往需要进行繁琐的模型选择及参数寻优才能构建出高精度预测模型,为了解放材料机器学习"调参师",本文研发了基于元学习的材料性能自动预测器,采集了60份文献公开数据集与60份标准数据集,基于此训练18种常用回归算法并获得其预测性能,定义与计算了27个刻画数据集特点的元特征,以此构建了一份蕴含建模经验的元数据集;同时,创建了表征数据集所属材料类型的类别树,将其嵌入基于距离的元学习算法,进一步耦合贝叶斯优化算法,实现领域知识和元数据协同驱动下的自动算法推荐和模型参数确定,实验结果表明,材料科学家仅需为新材料性能预测任务提供数据集,便可利用该预测器高效地构建具有与文献报道相当或更高预测精度的机器学习模型.

关键词：机器学习贝叶斯优化算法预测器材料科学家元数据参数寻优预测性能材料性能

OneForecast: A Universal Framework for Global and Regional Weather Forecasting

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arXiv 2025年

作者： Gao, Yuan Wu, Hao Shu, Ruiqi Dong, Huanshuo Xu, Fan Chen, Rui Yan, Yibo Wen, Qingsong Hu, Xuming Wang, Kun Wu, Jiahao Li, Qing Xiong, Hui Huang, Xiaomeng Department of Earth System Science Ministry of Education Key Laboratory for Earth System Modeling Institute for Global Change Studies Tsinghua University China TEG Tencent China Department and Computer and Science University of Science and Technology of China China Institute for Interdisciplinary Information Sciences Tsinghua University China Department of Computer Science and Engineering The HongKong University of Science and Technology Hong Kong AI Thrust The Hong Kong University of Science and Technology Guangzhou China Squirrel Ai Learning China School of Computer Science and Engineering Nanyang Technological University Singapore Department of Computing The Hong Kong Polytechnic University Hong Kong

Accurate weather forecasts are important for disaster prevention, agricultural planning, and water resource management. Traditional numerical weather prediction (NWP) methods offer physically interpretable high-accuracy predictions but are computationally expensive and fail to fully leverage rapidly growing historical data. In recent years, deep learning methods have made significant progress in weather forecasting, but challenges remain, such as balancing global and regional high-resolution forecasts, excessive smoothing in extreme event predictions, and insufficient dynamic system modeling. To address these issues, this paper proposes a global-regional nested weather forecasting framework based on graph neural networks (GNNs). By combining a dynamic system perspective with multi-grid theory, we construct a multi-scale graph structure and densify the target region to capture local high-frequency features. We introduce an adaptive information propagation mechanism, using dynamic gating units to deeply integrate node and edge features for more accurate extreme event forecasting. For high-resolution regional forecasts, we propose a neural nested grid method to mitigate boundary information loss. Experimental results show that the proposed method performs excellently across global to regional scales and short-term to long-term forecasts, especially in extreme event predictions (e.g., typhoons), significantly improving forecast accuracy. Our codes are available at https://***/YuanGao-YG/OneForecast. Copyright © 2025, The Authors. All rights reserved.

关键词： Weather forecasting

Low-Light Enhancement Effect on Classification and Detection: An Empirical Study

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arXiv 2024年

作者： Wu, Xu Lai, Zhihui Jie, Zhou Gao, Can Hou, Xianxu Zhang, Ya-Nan Shen, Linlin The Computer Vision Institute College of Computer Science and Software Engineering Shenzhen University Shenzhen518060 China Shenzhen Institute of Artificial Intelligence and Robotics for Society Shenzhen518060 China Guangdong Key Laboratory of Intelligent Information Processing Shenzhen University Shenzhen518060 China School of AI and Advanced Computing Xi’an Jiaotong-Liverpool University China The National Engineering Laboratory for Big Data System Computing Technology Shenzhen University SZU Branch Shenzhen Institute of Artificial Intelligence and Robotics for Society Guangdong Shenzhen518060 China

Low-light images are commonly encountered in real-world scenarios, and numerous low-light image enhancement (LLIE) methods have been proposed to improve the visibility of these images. The primary goal of LLIE is to generate clearer images that are more visually pleasing to humans. However, the impact of LLIE methods in high-level vision tasks, such as image classification and object detection, which rely on high-quality image datasets, is not well explored. To explore the impact, we comprehensively evaluate LLIE methods on these high-level vision tasks by utilizing an empirical investigation comprising image classification and object detection experiments. The evaluation reveals a dichotomy: While Low-Light Image Enhancement (LLIE) methods enhance human visual interpretation, their effect on computer vision tasks is inconsistent and can sometimes be harmful. Our findings suggest a disconnect between image enhancement for human visual perception and for machine analysis, indicating a need for LLIE methods tailored to support high-level vision tasks effectively. This insight is crucial for the development of LLIE techniques that align with the needs of both human and machine vision. Copyright © 2024, The Authors. All rights reserved.

关键词： Machine vision

Provably Secure Efficient key-Exchange Protocol for Intelligent Supply Line Surveillance in Smart Grids

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IEEE Internet of Things Journal 2025年

作者： Ayub, Muhammad Faizan Li, Xiong Mahmood, Khalid Alenazi, Mohammed J.F. Das, Ashok Kumar Wang, Guijuan University of Electronic Science and Technology of China School of Computer Science and Engineering Sichuan Chengdu12599 China National Yunlin University of Science and Technology Graduate School of Intelligent Data Science Yunlin Douliu64002 Taiwan Department of Computer Engineering Riyadh11451 Saudi Arabia International Institute of Information Technology Center for Security Theory and Algorithmic Research Hyderabad500 032 India Korea University College of Informatics Department of Computer Science and Engineering Anam-ro Seoul145 Korea Republic of Ministry of Education Shandong Computer Science Center Qilu University of Technology Shandong Academy of Sciences Key Laboratory of Computing Power Network and Information Security Jinan250353 China Shandong Provincial Key Laboratory of Industrial Network and Information System Security China Shandong Fundamental Research Center for Computer Science Jinan 250353 China

Intelligent supply line surveillance is critical for modern smart grids. Smart sensors and gateway nodes are strategically deployed along supply lines to achieve intelligent surveillance. They collect data continuously and transmit it to the control centre in real-time. It enables real-time monitoring, fault detection, and efficient energy management across distribution networks. This advanced surveillance system ensures continuous monitoring of supply lines, detecting anomalies, and optimizing operations to maintain the stability and reliability of the smart grid. However, the reliance of all participating nodes on public communication channels to transmit supply line surveillance data exposes these systems to critical cyber attacks. These cyber attacks include impersonation, physical tampering, ephemeral secret leakage, and desynchronization attacks. To address these issues, existing key-exchange protocols often fail to ensure robust security while imposing high computation and communication overheads, limiting their practicality for resource-constrained environments. Therefore, we propose a secure and efficient key exchange and tamper-resistant authentication protocol using Elliptic Curve Cryptography (ECC) and Physical Unclonable Functions (PUFs). The PUF mechanism provides robust resistance against physical tampering and cloning attacks, ensuring enhanced physical security for supply line devices. We validate the security robustness of the devised protocol using the Random or Real (ROR) model. Furthermore, informal security analysis demonstrates the protocol's robustness in rigorously resisting various attacks, including physical tampering, impersonation, ephemeral secret leakage and desynchronization. Moreover, we determine the performance evaluation that reveals the protocol's superior efficiency compared to competing protocols, achieving significant reductions of 28.64% in computation overhead and 9.96% in communication overhead. © 2014 IEEE.

关键词： Authentication Protocol

Look Inside for More: Internal Spatial Modality Perception for 3D Anomaly Detection

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arXiv 2024年

作者： Liang, Hanzhe Xie, Guoyang Hou, Chengbin Wang, Bingshu Gao, Can Wang, Jinbao College of Computer Science and Software Engineering Shenzhen University Shenzhen China Shenzhen Audencia Financial Technology Institute Shenzhen University Shenzhen China National Engineering Laboratory for Big Data System Computing Technology Shenzhen University Shenzhen China Department of Intelligent Manufacturing CATL Ningde China School of Computing and Artificial Intelligence Fuyao University of Science and Technology Fuzhou China School of Software Northwestern Polytechnical University Xi’an China Guangdong Provincial Key Laboratory of Intelligent Information Processing Shenzhen China

3D anomaly detection has recently become a significant focus in computer vision. Several advanced methods have achieved satisfying anomaly detection performance. However, they typically concentrate on the external structure of 3D samples and struggle to leverage the internal information embedded within samples. Inspired by the basic intuition of why not look inside for more, we introduce a straightforward method named Internal Spatial Modality Perception (ISMP) to explore the feature representation from internal views fully. Specifically, our proposed ISMP consists of a critical perception module, Spatial Insight Engine (SIE), which abstracts complex internal information of point clouds into essential global features. Besides, to better align structural information with point data, we propose an enhanced key point feature extraction module for amplifying spatial structure feature representation. Simultaneously, a novel feature filtering module is incorporated to reduce noise and redundant features for further aligning precise spatial structure. Extensive experiments validate the effectiveness of our proposed method, achieving object-level and pixel-level AUROC improvements of 4.2% and 13.1%, respectively, on the Real3D-AD benchmarks. Note that the strong generalization ability of SIE has been theoretically proven and is verified in both classification and segmentation tasks. Copyright © 2024, The Authors. All rights reserved.

关键词： Feature extraction

CodeEnhance: A Codebook-Driven Approach for Low-Light Image Enhancement

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arXiv 2024年

作者： Wu, Xu Hou, XianXu Lai, Zhihui Zhou, Jie Zhang, Ya-Nan Pedrycz, Witold Shen, Linlin The Computer Vision Institute College of Computer Science and Software Engineering Shenzhen University Shenzhen518060 China Shenzhen Institute of Artificial Intelligence and Robotics for Society Shenzhen518060 China Guangdong Key Laboratory of Intelligent Information Processing Shenzhen University Shenzhen518060 China School of AI and Advanced Computing Xi’an Jiaotong-Liverpool University China National Engineering Laboratory for Big Data System Computing Technology Shenzhen University SZU Branch Shenzhen Institute of Artificial Intelligence and Robotics for Society Guangdong Shenzhen518060 China The Department of Electrical & Computer Engineering University of Alberta University of Alberta Canada

Low-light image enhancement (LLIE) aims to improve low-illumination images. However, existing methods face two challenges: (1) uncertainty in restoration from diverse brightness degradations;(2) loss of texture and color information caused by noise suppression and light enhancement. In this paper, we propose a novel enhancement approach, CodeEnhance, by leveraging quantized priors and image refinement to address these challenges. In particular, we reframe LLIE as learning an image-to-code mapping from low-light images to discrete codebook, which has been learned from high-quality images. To enhance this process, a Semantic Embedding Module (SEM) is introduced to integrate semantic information with low-level features, and a Codebook Shift (CS) mechanism, designed to adapt the pre-learned codebook to better suit the distinct characteristics of our low-light dataset. Additionally, we present an Interactive Feature Transformation (IFT) module to refine texture and color information during image reconstruction, allowing for interactive enhancement based on user preferences. Extensive experiments on both real-world and synthetic benchmarks demonstrate that the incorporation of prior knowledge and controllable information transfer significantly enhances LLIE performance in terms of quality and fidelity. The proposed CodeEnhance exhibits superior robustness to various degradations, including uneven illumination, noise, and color distortion. Copyright © 2024, The Authors. All rights reserved.

关键词： Image enhancement

Multi-scale Contrastive Learning for Gastroenteroscopy Classification

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Multi-scale Contrastive Learning for Gastroenteroscopy Class...

Annual IEEE Symposium on computer-Based Medical systems

作者： Dan Li Xuechen Li Zhibin Peng Wenting Chen Linlin Shen Guangyao Wu Computer Vision Institute School of Computer Science & Software Engineering Shenzhen University National Engineering Laboratory for Big Data System Computing Technology ShenZhen University Shenzhen China City University of Hong Kong Hong Kong SAR China Shenzhen Institute of Artificial Intelligence & Robotics for Society Guangdong Key Laboratory of Intelligent Information Processing Shenzhen University General Hospital

In gastroenteroscopy image analysis, numerous CADs demonstrate that deep learning aids doctors' diagnosis. The shapes and sizes of the lesions are varied. And in the clinic, the dataset appears to be data imbalanced. However, existing methods directly classify by texture and ignore lesions with various shapes and sizes. To address the issue above, we propose a deep neural network, which consists of multi-scale feature extraction, contrastive feature learning and a multi-scale feature fusion module. We train the contrastive feature learning module and multi-scale feature fusion module simultaneously to alleviate the issue of data distribution differences. Thus, the proposed network can better identify various categories. Extensive experiments on the Hyper Kvasir dataset show that the proposed Hybrid-M2CL outperforms the benchmark proposed by the dataset with 5.0% Macro Precision, 3.3% Macro Recall, 3.4% Macro F1-score, 3.3% Micro Precision, 3.6% MCC. In addition, it outperforms the SOTA by 1.1% Macro F1-score, 2.6% MCC, and 2.0% B-ACC.

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Size-invariance matters: rethinking metrics and losses for imbalanced multi-object salient object detection 24

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Size-invariance matters: rethinking metrics and losses for i...

Proceedings of the 41st International Conference on Machine Learning

作者： Feiran Li Qianqian Xu Shilong Bao Zhiyong Yang Runmin Cong Xiaochun Cao Qingming Huang Institute of Information Engineering Chinese Academy of Sciences Beijing China and School of Cyber Security University of Chinese Academy of Sciences Beijing China Key Laboratory of Intelligent Information Processing Institute of Computing Technology Chinese Academy of Sciences Beijing China School of Computer Science and Technology University of Chinese Academy of Sciences Beijing China Institute of Information Science Beijing Jiaotong University Beijing China and School of Control Science and Engineering Shandong University Jinan China and Key Laboratory of Machine Intelligence and System Control Ministry of Education Jinan China School of Cyber Science and Tech. Shenzhen Campus Sun Yat-sen University School of Computer Science and Technology University of Chinese Academy of Sciences Beijing China and Key Laboratory of Intelligent Information Processing Institute of Computing Technology Chinese Academy of Sciences Beijing China and Key Laboratory of Big Data Mining and Knowledge Management Chinese Academy of Sciences Beijing China

This paper explores the size-invariance of evaluation metrics in Salient Object Detection (SOD), especially when multiple targets of diverse sizes co-exist in the same image. We observe that current metrics are size-sensitive, where larger objects are focused, and smaller ones tend to be ignored. We argue that the evaluation should be size-invariant because bias based on size is unjustified without additional semantic information. In pursuit of this, we propose a generic approach that evaluates each salient object separately and then combines the results, effectively alleviating the imbalance. We further develop an optimization framework tailored to this goal, achieving considerable improvements in detecting objects of different sizes. Theoretically, we provide evidence supporting the validity of our new metrics and present the generalization analysis of SOD. Extensive experiments demonstrate the effectiveness of our method. The code is available at https://***/Ferry-Li/SI-SOD.

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A Robust key Exchange and Tamper-Resistant Protocol for HAN and NAN Networks in Smart Grids

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IEEE Internet of Things Journal 2025年

作者： Ayub, Muhammad Faizan Li, Xiong Mahmood, Khalid Shamshad, Salman Das, Ashok Kumar Wang, Guijuan University of Electronic Science and Technology of China School of Computer Science and Engineering Sichuan Chengdu611731 China National Yunlin University of Science and Technology Graduate School of Intelligent Data Science Yunlin Douliu64002 Taiwan The University of Lahore Department of Software Engineering Lahore54590 Pakistan International Institute of Information Technology Center for Security Theory and Algorithmic Research Hyderabad500 032 India Korea University College of Informatics Department of Computer Science and Engineering Anam-ro Seoul145 Korea Republic of Qilu University of Technology Shandong Academy of Sciences Key Laboratory of Computing Power Network and Information Security Ministry of Education Shandong Computer Science Center Jinan250353 China Shandong Fundamental Research Center for Computer Science Shandong Provincial Key Laboratory of Industrial Network and Information System Security Jinan250353 China

Smart Grids (SG) rely on Home Area Networks (HAN) and Neighborhood Area Networks (NAN) to ensure efficient power distribution, real-time monitoring, and seamless communication between smart devices. Despite these advantages, the use of public communication channels in HAN and NAN networks introduces critical challenges, such as vulnerability to impersonation, physical tampering, and scalability issues in resource-constrained environments. These issues compromise the stability, reliability, and security of SG environments. Existing protocols often fail to adequately address these challenges, particularly in ensuring resistance to physical tampering of supply lines and impersonation attacks. Additionally, they struggle to minimize the computation, communication, and energy costs associated with securing a resource-constrained SG environment. Therefore, we propose a robust key exchange and tamper-resistant protocol for HAN and NAN networks to address these limitations. The proposed protocol leverages the Physical Unclonable Function (PUF) mechanism to offer physical tampering resistance to smart meters. We validate our protocol formally using the Random or Real (RoR) model, which confirms its security robustness. Additionally, our informal security analysis highlights the protocol's resilience against impersonation, physical tampering attacks, etc. We analyze and compare the performance of the proposed protocol, which further demonstrates our protocol's effectiveness and security compared to competing protocols. Moreover, the proposed protocol achieves resource efficiency with 45.99% and 58.85% substantial reductions in computation overhead and energy overhead, respectively, compared to competing protocols. These results showcase the protocol's enhanced security and practicality for resource-constrained SG environments. © 2014 IEEE.

关键词： Authentication Protocol