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Stability and Generalization of Hypergraph Collaborative Networks

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Machine Intelligence Research 2024年第1期21卷 184-196页

作者： Michael K.Ng Hanrui Wu Andy Yip Institute of data science The University of Hong KongHong KongChina Department of Mathematics The University of Hong KongHong KongChina College of Information science and Technology Jinan UniversityGuangzhou 510006China

Graph neural networks have been shown to be very effective in utilizing pairwise relationships across ***,there have been several successful proposals to generalize graph neural networks to hypergraph neural networks to exploit more com-plex *** particular,the hypergraph collaborative networks yield superior results compared to other hypergraph neural net-works for various semi-supervised learning *** collaborative network can provide high quality vertex embeddings and hyperedge embeddings together by formulating them as a joint optimization problem and by using their consistency in reconstructing the given *** this paper,we aim to establish the algorithmic stability of the core layer of the collaborative network and provide generaliz--ation *** analysis sheds light on the design of hypergraph filters in collaborative networks,for instance,how the data and hypergraph filters should be scaled to achieve uniform stability of the learning *** experimental results on real-world datasets are presented to illustrate the theory.

关键词： Hypergraphs vertices hyperedges collaborative networks graph convolutional neural networks(CNNs) stability generalization guarantees

Robust zero-watermarking algorithm based on discrete wavelet transform and daisy descriptors for encrypted medical image

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CAAI Transactions on Intelligence Technology 2024年第1期9卷 40-53页

作者： Yiyi Yuan Jingbing Li Jing Liu Uzair Aslam Bhatti Zilong Liu Yen-wei Chen School of Information and Communication Engineering Hainan UniversityHaikouChina Research Center for Healthcare data science Zhejiang LabHangzhouChina Graduate School of Information science and Engineering Ritsumeikan University ShigaJapan

In the intricate network environment,the secure transmission of medical images faces challenges such as information leakage and malicious tampering,significantly impacting the accuracy of disease diagnoses by medical *** address this problem,the authors propose a robust feature watermarking algorithm for encrypted medical images based on multi-stage discrete wavelet transform(DWT),Daisy descriptor,and discrete cosine transform(DCT).The algorithm initially encrypts the original medical image through DWT-DCT and Logistic ***,a 3-stage DWT transformation is applied to the encrypted medical image,with the centre point of the LL3 sub-band within its low-frequency component serving as the sampling *** Daisy descriptor matrix for this point is then ***,a DCT transformation is performed on the Daisy descriptor matrix,and the low-frequency portion is processed using the perceptual hashing algorithm to generate a 32-bit binary feature vector for the medical *** scheme utilises cryptographic knowledge and zero-watermarking technique to embed watermarks without modifying medical images and can extract the watermark from test images without the original image,which meets the basic re-quirements of medical image *** embedding and extraction of water-marks are accomplished in a mere 0.160 and 0.411s,respectively,with minimal computational *** results demonstrate the robustness of the algorithm against both conventional attacks and geometric attacks,with a notable performance in resisting rotation attacks.

关键词： daisy descriptor DCT DWT encryption domain medical image zero-watermarking

A review of understanding electrocatalytic reactions in energy conversion and energy storage systems via scanning electrochemical microscopy

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Journal of Energy Chemistry 2024年第4期91卷 155-177页

作者： Jihye Park Jong Hwan Lim Jin-Hyuk Kang Jiheon Lim Ho Won Jang Hosun Shin Sun Hwa Park Interdisciplinary Materials Measurement Institute Korea Research Institute of Standards and ScienceDaejeon 34113Republic of Korea Department of Material science and Engineering Seoul National UniversitySeoul 08826Republic of Korea Department of applied Measurement science University of Science and TechnologyDaejeon 34113Republic of Korea

To address climate change and promote environmental sustainability,electrochemical energy conversion and storage systems emerge as promising alternative to fossil fuels,catering to the escalating demand for *** optimal energy efficiency and cost competitiveness in these systems requires the strategic design of electrocatalysts,coupled with a thorough comprehension of the underlying mechanisms and degradation behavior occurring during the electrocatalysis *** electrochemical microscopy(SECM),an analytical technique for studying surface electrochemically,stands out as a powerful tool offering electrochemical *** possesses remarkable spatiotemporal resolution,enabling the visualization of the localized electrochemical activity and surface *** review compiles crucial research findings and recent breakthroughs in electrocatalytic processes utilizing the SECM methodology,specifically focusing on applications in electrolysis,fuel cells,and metal–oxygen batteries within the realm of energy conversion and storage *** with an overview of each energy system,the review introduces the fundamental principles of SECM,and aiming to provide new perspectives and broadening the scope of applied research by describing the major research categories within SECM.

关键词： Scanning electrochemical microscopy Electrocatalyst Electrocatalysis Water splitting Fuel cell Metal-oxygen battery

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Minimal Context-Switching data Race Detection with dataflow Tracking

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Journal of Computer science & Technology 2024年第1期39卷 211-226页

作者：郑龙李洋辛杰刘海峰郑然廖小飞金海 National Engineering Research Center for Big data Technology and System School of Computer Science and Technology Huazhong University of Science and TechnologyWuhan 430074China Services Computing Technology and System Laboratory School of Computer Science and TechnologyHuazhong University of Science and TechnologyWuhan 430074China Cluster and Grid Computing Laboratory School of Computer Science and TechnologyHuazhong University of Science and TechnologyWuhan 430074China

data race is one of the most important concurrent anomalies in multi-threaded *** con-straint-based techniques are leveraged into race detection,which is able to find all the races that can be found by any oth-er sound race ***,this constraint-based approach has serious limitations on helping programmers analyze and understand data ***,it may report a large number of false positives due to the unrecognized dataflow propa-gation of the ***,it recommends a wide range of thread context switches to schedule the reported race(in-cluding the false one)whenever this race is exposed during the constraint-solving *** ad hoc recommendation imposes too many context switches,which complicates the data race *** address these two limitations in the state-of-the-art constraint-based race detection,this paper proposes DFTracker,an improved constraint-based race detec-tor to recommend each data race with minimal thread context ***,we reduce the false positives by ana-lyzing and tracking the dataflow in the *** this means,DFTracker thus reduces the unnecessary analysis of false race *** further propose a novel algorithm to recommend an effective race schedule with minimal thread con-text switches for each data *** experimental results on the real applications demonstrate that 1)without removing any true data race,DFTracker effectively prunes false positives by 68%in comparison with the state-of-the-art constraint-based race detector;2)DFTracker recommends as low as 2.6-8.3(4.7 on average)thread context switches per data race in the real world,which is 81.6%fewer context switches per data race than the state-of-the-art constraint based race ***,DFTracker can be used as an effective tool to understand the data race for programmers.

关键词： data race satisfiability modulo theory multi-threaded program dynamic detection

Phase Behaviour and Physical Properties of Alkane Solvent（s）/CO2/N2/DME/Water/Heavy Oil Systems under Reservoir Conditions

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油气地质与采收率 2024年第2期 175-208页

作者： YANG Daoyong LI Yunlong HUANG Desheng Energy Systems Engineering Faculty of Engineering and Applied Science University of Regina

The hybrid steam-solvent injection has been considered as a promising technique for enhancing heavy oil/bitumen recov‐ery,while its main mechanisms including the heat transferred and dissolution of solvents (e.g.,CH4,C2H6,C3H8,C4H10,CO2,N2,and DME) into heavy oil/bitumen to reduce its viscosity and swell it are closely related to the phase behaviour of the solvents/water/heavy oil *** allow the seamless integration with the existing reservoir simulators,the traditional cubic equations of state （i.e.,SRK EOS and PR EOS） have been modified and improved to accurately quantify the phase behaviour and physical prop‐erties of the aforementioned systems under equilibrium and nonequilibrium ***,a huge database has been built to de‐velop the corresponding alpha functions by minimizing the deviation between the measured and calculated vapour pressures for wa‐ter as well as non-hydrocarbon and hydrocarbon compounds available from the public *** obtained alpha functions are fur‐ther validated with enthalpy of vaporization for pure substances,and then the reduced temperature has been optimized and the ec‐centric factor has been ***,a pressure-implicit strategy has been developed to optimize the binary interaction param‐eters （BIPs） by treating heavy oil as one pseudocomponent （PC） or multiple ***,the contributions of each solvent to the aforementioned systems have been compared and analyzed within a consistent and unified *** addition to new alpha func‐tions for hydrocarbons and water,respectively,the reduced temperature is found to have its optimum value of 0.59 for the two equa‐tions of state （EOSs）,while 0.60 is recommended for practical *** improved EOSs have been further employed to reproduce the experimentally measured multiphase boundaries （or pseudo-bubble-point pressures）,density,viscosity,（mutual） solubility,and preferential mass transfer for the aforementioned mixtures under equilibrium and nonequilibrium

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Li-air batteries:air stability of lithium metal anodes

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science China Chemistry 2024年第1期67卷 122-136页

作者： Renfei Cao Kai Chen Jianwei Liu Gang Huang Wanqiang Liu Xinbo Zhang School of Materials science and Engineering Changchun University of Science and TechnologyChangchun 130022China State Key Laboratory of Rare Earth Resource Utilization Changchun Institute of Applied ChemistryChangchun 130022China

Aprotic rechargeable lithium-air batteries(LABs)with an ultrahigh theoretical energy density(3,500 Wh kg^(-1))are known as the‘holy grail’of energy storage systems and could replace Li-ion batteries as the next-generation high-capacity batteries if a practical device could be ***,only a few researches focus on the battery performance and reactions in the ambient air environment,which is a major obstacle to promote the practical application of ***,we have summarized the recent research progress on LABs,especially with respect to the Li metal *** chemical and electrochemical deteriorations of the Li metal anode under the ambient air are discussed in detail,and the parasitic reactions involving the cathode and electrolyte during the charge-discharge processes are *** also provide stability perspectives on protecting the Li metal anodes and propose design principles for realizing high-performance LABs.

关键词： parasitic reaction lithium metal anode anode protection Li-air batteries

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Stereoselective recognition of morphine enantiomers by μ-opioid receptor

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National science Review 2024年第3期11卷 183-191页

作者： Yibo Wang Van A.Ngo Xiaohui Wang Laboratory of Chemical Biology Changchun Institute of Applied ChemistryChinese Academy of Sciences Advanced Computing for Life sciences and Engineering Group Science Engagement Section National Center for Computational Sciences Oak Ridge National Lab School of applied Chemistry and Engineering University of Science and Technology of China Beijing National Laboratory for Molecular sciences

Stereospecific recognition of chiral molecules plays a crucial role in biological systems. The μ-opioid receptor（MOR） exhibits binding affinity towards（-）-morphine, a well-established gold standard in pain management, while it shows minimal binding affinity for the（+）-morphine enantiomer, resulting in a lack of analgesic activity. Understanding how MOR stereoselectively recognizes morphine enantiomers has remained a puzzle in neuroscience and pharmacology for over half-a-century due to the lack of direct observation techniques. To unravel this mystery, we constructed the binding and unbinding processes of morphine enantiomers with MOR via molecular dynamics simulations to investigate the thermodynamics and kinetics governing MOR's stereoselective recognition of morphine enantiomers. Our findings reveal that the binding of（-）-morphine stabilizes MOR in its activated state, exhibiting a deep energy well and a prolonged residence time. In contrast,（+）-morphine fails to sustain the activation state of ***, the results suggest that specific residues, namely D1142.50and D1473.32, are deprotonated in the active state of MOR bound to（-）-morphine. This work highlights that the selectivity in molecular recognition goes beyond binding affinities, extending into the realm of residence time.

关键词： stereoselective recognition thermodynamics and kinetics residence time morphine enantiomers μ-opioid receptor

A Composite Ansatz for Calculation of Dynamical Structure Factor

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Chinese Physics Letters 2024年第1期41卷 92-103页

作者：张玉佩莫崇杰张平康炜 HEDPS Center for Applied Physics and Technologyand School of PhysicsPeking UniversityBeijing 100871China Beijing Computational science Research Center Beijing 100193China Institute of applied Physics and Computational Mathematics Beijing 100088China HEDPS Center for Applied Physics and Technologyand College of EngineeringPeking UniversityBeijing 100871China

We propose an ansatz without adjustable parameters for the calculation of a dynamical structure *** ansatz combines the quasi-particle Green’s function,especially the contribution from the renormalization factor,and the exchange-correlation kernel from time-dependent density functional theory together,verified for typical metals and semiconductors from a plasmon excitation regime to the Compton scattering *** has the capability to reconcile both small-angle and large-angle inelastic x-ray scattering(IXS)signals with muchimproved accuracy,which can be used as the theoretical base model,in inversely inferring electronic structures of condensed matter from IXS experimental signals *** may also be used to diagnose thermal parameters,such as temperature and density,of dense plasmas in x-ray Thomson scattering experiments.

关键词： excitation inverse verified

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A hybrid memory architecture supporting fine-grained data migration

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Frontiers of Computer science 2024年第2期18卷 31-41页

作者： Ye CHI Jianhui YUE Xiaofei LIAO Haikun LIU Hai JIN National Engineering Research Center for Big data Technology and System Services Computing Technology and System LabCluster and Grid Computing LabSchool of Computer Science and TechnologyHuazhong University of Science and TechnologyWuhan 430074China Department of Computer science Michigan Technological UniversityMichigan 49931USA

Hybrid memory systems composed of dynamic random access memory(DRAM)and Non-volatile memory(NVM)often exploit page migration technologies to fully take the advantages of different memory *** previous proposals usually migrate data at a granularity of 4 KB pages,and thus waste memory bandwidth and DRAM *** this paper,we propose Mocha,a non-hierarchical architecture that organizes DRAM and NVM in a flat address space physically,but manages them in a cache/memory *** the commercial NVM device-Intel Optane DC Persistent Memory Modules(DCPMM)actually access the physical media at a granularity of 256 bytes(an Optane block),we manage the DRAM cache at the 256-byte size to adapt to this feature of *** design not only enables fine-grained data migration and management for the DRAM cache,but also avoids write amplification for Intel Optane *** also create an Indirect Address Cache(IAC)in Hybrid Memory Controller(HMC)and propose a reverse address mapping table in the DRAM to speed up address translation and cache ***,we exploit a utility-based caching mechanism to filter cold blocks in the NVM,and further improve the efficiency of the DRAM *** implement Mocha in an architectural *** results show that Mocha can improve application performance by 8.2%on average(up to 24.6%),reduce 6.9%energy consumption and 25.9%data migration traffic on average,compared with a typical hybrid memory architecture-HSCC.

关键词： non-volatile memory hybrid memory system data migration fine-grained caching