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GPS: graph contrastive learning via multi-scale augmented views from adversarial pooling

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Science China(Information Sciences) 2025年第1期68卷 145-158页

作者： Wei JU Yiyang gu Zhengyang mao Ziyue QIAO Yifang QIN Xiao LUO Hui XIONG Ming ZHANG School of Computer Science National Key Laboratory for Multimedia Information ProcessingPeking University Artificial Intelligence Thrust The Hong Kong University of Science and Technology Department of Computer Science University of California

Self-supervised graph representation learning has recently shown considerable promise in a range of fields, including bioinformatics and social networks. A large number of graph contrastive learning approaches have shown promising performance for representation learning on graphs, which train models by maximizing agreement between original graphs and their augmented views(i.e., positive views). Unfortunately, these methods usually involve pre-defined augmentation strategies based on the knowledge of human experts. Moreover, these strategies may fail to generate challenging positive views to provide sufficient supervision signals. In this paper, we present a novel approach named graph pooling contrast(GPS) to address these *** by the fact that graph pooling can adaptively coarsen the graph with the removal of redundancy, we rethink graph pooling and leverage it to automatically generate multi-scale positive views with varying emphasis on providing challenging positives and preserving semantics, i.e., strongly-augmented view and weakly-augmented view. Then, we incorporate both views into a joint contrastive learning framework with similarity learning and consistency learning, where our pooling module is adversarially trained with respect to the encoder for adversarial robustness. Experiments on twelve datasets on both graph classification and transfer learning tasks verify the superiority of the proposed method over its counterparts.

关键词： graph representation learning graph neural networks graph contrastive learning graph augmentations graph pooling

Preparation of Modified Composite Nanofiltration Membrane Synergistically Using Carboxylic Multi- walled Carbon Nanotube and β-cyclodextrin

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Journal of Wuhan University of Technology(Materials Science) 2025年第1期40卷 232-239页

作者： LIU Peng mao Junpeng FANG Yanfeng YU Yunwu CHEN Changxiu TANG Ning WAN Ye gu Yaxin LIU Yunxue WANG Lihua School of Materials Science and Engineering Shenyang Jianzhu UniversityShenyang 110168China

A new modified blend ultrafiltration(UF)membrane with good hydrophilicity,high porosity and excellent anti-fouling performance was developed by using carboxylic multi-walled carbon nanotube(CMWCNT)as casting solution ***,a composite nanofiltration(NF)membrane with large water flux and good retention rate was fabricated by using the PVDF/CMWCNT blend UF membrane as the substrate,and polyvinyl alcohol(PVA),β-cyclodextrin(β-CD)and polyethylenimine(PEI)as the coating *** results show that with the appropriate addition of CMWCNT in the casting solution,the surface roughness,porosity and recovery rate of the PVDF/CMWCNT blend UF membrane is obviously *** water flux of blend UF membrane is significantly improved when the CMWCNT content increases from 0 wt%to 0.2 wt%.The water flux of blend UF membrane with 0.2 wt%CMWCNT is 162.7 L/(m^(2)·h),which is 44.3%higher than that of the pure PVDF ***β-CD content is 0.8 wt%,the retention rate of Congo red by PVDF/CMWCNT/β-CD composite NF membrane reaches 98.7%,which is 28.3%higher than that of single PVA/PEI modified *** research will provide a new idea and simple method for developing novel high-performance composite NF membranes.

关键词： CMWCNT cyclodextrin nanofiltration membrane

A stretchable, ionic conductive, and adhesive patch electrode with ultra-low on-skin impedance for electrophysiological signal recording

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Science China(Information Sciences) 2025年

作者： Yang LI Yuzhe gu Sheng QIAN Yuncong PANG Aoxi YU Shuwen ZHENG Wenjie XIA Yuan LIAO Baoguang LIU Shujuan LIU qiang ZHAO College of Electronic and Optical Engineering & College of Flexible Electronics (Future Technology) Nanjing University of Posts & Telecommunications (NJUPT) State Key Laboratory of Organic Electronics and Information Displays & Jiangsu Key Laboratory for Biosensors Institute of Advanced Materials (IAM) Nanjing University of Posts & Telecommunications (NJUPT)

Flexible electrodes have significant potential in fields such as healthcare and neuroscience, as they enable comprehensive recording and analysis of human electrical signals, providing deeper insights into physiological conditions and the state of internal organs and tissues [1, 2]. However, commercial Ag/AgCl wet electrodes face issues such as dehydration,poor comfort, and insufficient mechanical strength, while other types of electrodes, like dry and semi-dry electrodes,also have their own limitations, including the higher contact impedance. In contrast, ionically conductive electrodes offer potential advantages such as transparency, stability, and low impedance, making them a promising alternative to existing electrically conductive electrodes [3]. Acrylic acid (AA)and 2-acrylamido-2-methylpropanesulfonic acid (AMPS) are commonly used in the synthesis of ionic gels, as they ionize in water to produce a large number of ions, helping to maintain moisture balance and reduce impedance caused by dehydration [4]. However, the presence of freely moving ions in the gel network can interfere with conductivity, highlighting the need to introduce new conductive networks to enhance performance [5].

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Deciphering fungal metabolon coupling tandem inverse-electrondemand Diels-Alder reaction and semipinacol rearrangement for the biosynthesis of spiro polycyclic alkaloids

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Science China Chemistry 2025年第1期68卷 288-296页

作者： Shuai Liu Wen-qiang Xu Ying-Tong Di Man-Cheng Tang Ding-Kang Chen Ming-Ming Cao Yao-Wen Chang Hong-Yu Tang Chun-mao Yuan Jun-Bo Yang Zhi-Li Zuo Han guo Zi-Fei Xu Ying Zeng Yun-Dong Wu Xiao-Jiang Hao Key Laboratory of Phytochemistry and Natural Medicines (Chinese Academy of Sciences) Kunming Institute of Botany Chinese Academy of Sciences University of Chinese Academy of Sciences Lab of Computational Chemistry and Drug Design State Key Laboratory of Chemical Oncogenomics Peking University Shenzhen Graduate School Shenzhen Bay Laboratory State Key Laboratory of Microbial Metabolism School of Life Sciences & Biotechnology Shanghai Jiao Tong University State Key Laboratory of Functions and Applications of Medicinal Plants Guizhou Medical University Molecular Biology Experimental Center Germplasm Bank of Wild Species in Southwest China Kunming Institute of Botany Chinese Academy of Sciences Yunnan Key Laboratory for Wild Plant Resources Kunming Institute of Botany Chinese Academy of Sciences Research Unit of Chemical Biology of Natural Anti-Virus Products Chinese Academy of Medical Sciences

In the intricate process of natural product biosynthesis, a metabolon can enhance metabolic flux by associating sequential enzymes. A fungal metabolon, comprising of flavin-dependent monooxygenase Spe F and P450 monooxygenase Spe G, is identified in the biosynthesis of spiro polycyclic alkaloids(+)-notoamide B and its diastereomer(+)-versicolamide B. Using notoamide E as a substance, Spe F/Spe G metabolon can control the stereoselectivity of its 2,3-epoxidation, followed by hydrogen atom ion at C-17 to generate reactive epoxide tau-m A with dienyl iminium unit. Subsequently,(+)-notoamide B and(+)-versicolamide B are produced via tandem nonenzymatic inverse-electron-demand Diels-Alder reaction and semipinacol rearrangement. This provides the first example of metabolon in the biosynthesis of spiro-prenylated indole alkaloids.

关键词： metabolon Diels-Alder reaction semipinacol rearrangement biosynthesis notoamides spiro polycyclic alkaloids

浑水入渗对粗粒土柱孔隙及渗透性影响试验研究

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岩土工程学报 2025年第1期47卷 173-183页

作者：毛海涛张超袁古城何涛谷易山西农业大学城乡建设学院山西太原030000 重庆三峡学院土木工程学院重庆404120

浑水渗流在水利工程的反滤设计、浑水浇灌、堤坝渗流控制等方面都有较大影响,目前理论多采用稳定渗流计算方法,忽略了渗流过程中粗细颗粒与水力的耦合作用。自制渗流装置,将不同控制粒径浑水、不均匀系数粗粒土柱和水头等作为基本控制因... 详细信息

浑水渗流在水利工程的反滤设计、浑水浇灌、堤坝渗流控制等方面都有较大影响,目前理论多采用稳定渗流计算方法,忽略了渗流过程中粗细颗粒与水力的耦合作用。自制渗流装置,将不同控制粒径浑水、不均匀系数粗粒土柱和水头等作为基本控制因素,研究不同工况下浑水中悬浮颗粒对粗粒土土柱中的渗透特性影响;推导了变渗透系数浑水渗流计算微分方程,通过对比验证和公式修正,结果表明:粗粒土中颗粒淤积率与控制粒径C_(0.075)含量符合Boltzmann函数关系;C_(0.075)是重要的影响因子,浑水颗粒在粗粒土柱的运移、沉积和淤堵形态过程大致可分为4种形态:表层堆积淤堵形态(S型);表层-内部双重淤堵形态(S-I型);内部孔隙淤堵形态(I型);暂态孔隙淤堵形态(P型)。土柱C_(u)越大,孔隙度越小,浑水颗粒在粗粒土中运移也越困难,土柱填充性就越差;水头加剧了颗粒在土柱内部运移的速度,但也加速了其在顶部的沉积并封堵;S型时土柱0~2cm渗透系数下降速率最大,封堵时总体渗透系数最小,2cm以下相对孔隙率及随深度逐渐减小;S-I和I型土柱下部渗透系数明显滞后于上部,相对孔隙率存在临界深度(约为4~6cm);P型时土柱整体相对孔隙率基本无变化。

关键词：颗粒渗流粗粒土浑水堵塞

Laboratory investigation on relationship between degree of saturation, B-value and P-wave velocity

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Journal of Central South University 2013年第7期20卷 2001-2007页

作者： gu Xiao-qiang YANG Jun HUANG mao-song Department of Geotechnical Engineering Tongji University Shanghai 200092 China Key Laboratory of Geotechnical and Underground Engineering of Ministry of Education (Tongji University) Shanghai 200092 China Department of Civil Engineering The University of Hong Kong Hong Kong China

Laboratory tests were performed on Toyoura sand specimens to investigate the relationship between degree of saturation Sr, B-value and P-wave velocity Vp. Different types of pore water （de-aired water or tap water） and pore gas （air or CO2） as well as different magnitudes of back pressure were used to achieve different Sr （or B-value）. The measured relationship between B-value and Vp was not consistent with the theoretical prediction. The measurement shows that the Vp value in the specimen flushed with de-aired water is independent of B-value （or St） and is always around the one in fully saturated condition. However, the Vp value in the specimen flushed with tap water increases with B-value, but the shape of the relationship between Vp and B-value is quite different from the theoretical prediction. The possible explanation for the discrepancy between laboratory measurement and theoretical prediction lies in that the air exists in the water as air bubbles and therefore the pore fluid （air-water mixture） is heterogeneous instead of homogenous assumed in the theoretical prediction.

关键词： degree of saturation B-value P-wave velocity bender element

Discrete numerical modeling of granular materials considering crushability

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Journal of Mountain Science 2017年第4期14卷 758-770页

作者： QIAN Jian-gu gu Jian-bo gu Xiao-qiang HUANG mao-song Key Laboratory of Geotechnieal and Underground Engineering of Ministry of Education Tongji UniversityShanghai 200092China Department of Geotechnical Engineering Tongji UniversityShanghai 200092China

The aim of this study is to numerically investigate the influence of particle breakage on the mechanical behavior of granular materials using a discrete element method(DEM). To enable particle crushing, non-crushable elementary particles are boned together to represents the granular aggregates which can be crushed when the external force exceeds its strength. The flaw of the aggregate was also modeled by randomly distributed void. Single particle crushing tests were carried out to determine the distribution of particle strength. The results of single particle crushing tests illustrate that the simulated single particle fracture strength and pattern agree well with the Weibull's distribution *** oedometer tests, drained monotonic and cyclic triaxial tests were also carried out to investigate the crushing of the aggregates and the associated mechanical behaviors. The effect of confining pressure on the crushing of aggregates and the mechanical behavior was also analyzed. It was found that the peak stress and dilation decrease significantly when particle crushing was *** deformation behavior of the specimen is essentially controlled by two factors: particle rearrangement-induced dilation and particle crushing-induced contraction. The increase of permanent strain and the reduction of dilation were observed during cyclic loading and they tend to reach a stable state after a certain number of cycles. The crushing of aggregate is most significant in the first two cycles. The results also indicated that for the same axial strain the volumetric strain and the bound breakage in the cyclic loading tests are significantly larger than that in the monotonic loading tests,especially at high cyclic stress ratio.

关键词： DEM simulation Granular materials Crushing Monotonic and Cyclic triaxial test

McMillan T_c公式的解析推导(Ⅰ)μ~*=0情形

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物理学报 1981年第6期32卷 783-793页

作者：吴杭生茅德强顾一鸣中国科学技术大学

作者在μ*=0情形,从Eliashberg方程解析地导出如下的Tc公式: Tc=αω10gexp{-b（1+cλ/λ）}式中α=2γ/π,b=c=1;Inγ=C=0.5772是Euler常数。这个Tc公式只有在Tc=0.36/α（k）以下才是正确的,α是个大于1并随材料而异的常数。我们推测... 详细信息

作者在μ*=0情形,从Eliashberg方程解析地导出如下的Tc公式: Tc=αω10gexp{-b（1+cλ/λ）}式中α=2γ/π,b=c=1;Inγ=C=0.5772是Euler常数。这个Tc公式只有在Tc=0.36/α（k）以下才是正确的,α是个大于1并随材料而异的常数。我们推测,当Tc超过上述范围后,Tc公式的函数结构很可能不同于McMillanTc公式,至少α,b和c等参量不再是些不依赖于材料的常数了。

关键词：函数能隙能带结构方程声子谱 McMillan T_c

Trapped Bose-Einstein condensates in synthetic magnetic field

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Frontiers of physics 2015年第5期10卷 115-120页

作者： qiang Zhao qiang gu Department of Physics University of Science and Technology Beijing Beijing 100083 China School of Science North China University of Science and Technology Tangshan 063009 China

The rotational properties of Bose-Einstein condensates in a synthetic magnetic field are studied by numerically solving the Gross-Pitaevskii equation and comparing the results to those of condensates confined in a rotating trap. It appears to be more difficult to add a large angular momentum to condensates spun up by the synthetic magnetic field than by the rotating trap. However, strength- ening the repulsive interaction between atoms is an effective and realizable route to overcoming this problem and can at least generate vortex-lattice-like structures. In addition, the validity of the Feynman rule for condensates in the synthetic magnetic field is verified.

关键词： Bose-Einstein condensates synthetic magnetic field vortices