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Learning-based counterfactual explanations for recommendation

Science China(Information Sciences) 2024年第8期67卷 115-129页

作者： Jingxuan wen Huafeng liu Liping JING Jian YU School of Computer and Information Technology Beijing Jiaotong University Beijing Key Lab of Traffic Data Analysis and Mining Beijing Jiaotong University

Counterfactual explanations provide explanations by exploring the changes in effect caused by changes in cause. They have attracted significant attention in recommender system research to explore the impact of changes in certain properties on the recommendation mechanism. Among several counterfactual recommendation methods, item-based counterfactual explanation methods have attracted considerable attention because of their flexibility. The core idea of item-based counterfactual explanation methods is to find a minimal subset of interacted items(i.e., short length) such that the recommended item would topple out of the top-K recommendation list once these items have been removed from user interactions(i.e., good quality). Usually, explanations are generated by ranking the precomputed importance of items, which fails to characterize the true importance of interacted items due to separation from the explanation generation. Additionally, the final explanations are generated according to a certain search strategy given the precomputed importance. This indicates that the quality and length of counterfactual explanations are deterministic;therefore, they cannot be balanced once the search strategy is fixed. To overcome these obstacles, this study proposes learning-based counterfactual explanations for recommendation(LCER) to provide counterfactual explanations based on personalized recommendations by jointly modeling the factual and counterfactual preference. To achieve consistency between the computation of importance and generation of counterfactual explanations, the proposed LCER endows an optimizable importance for each interacted item, which is supervised by the goal of counterfactual explanations to guarantee its credibility. Because of the model's flexibility, the trade-off between quality and length can be customized by setting different proportions. The experimental results on four real-world datasets demonstrate the effectiveness of the proposed LCER over several

关键词： recommender system explainable recommendation item-based explanation counterfactual inference counterfactual explanation

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Base-controlled NHC-Ru-catalyzed transfer hydrogenation andα-methylation/transfer hydrogenation of ketones using methanol

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Chinese Chemical Letters 2024年第7期35卷 276-280页

作者： ming Huang Xiuju Cai Yan liu Zhuofeng Ke School of pharmacy School of clinical pharmacyGuangdong Pharmaceutical UniversityGuangzhou 510006China School of Materials Science&Engineering PCFM LabSchool of ChemistrySun Yat-sen UniversityGuangzhou 510275China School of Chemical Engineering and Light Industry Guangdong University of TechnologyGuangzhou 510006China

Herein,we report the NHC-Ru catalyst system that realizes the chemo-selective transformation of ketones with *** simply changing the base,a broad range of structurally diverse ketones,could be selectively and efficiently converted to the correspondingβ-methylated secondary alcohols or secondary ***,this catalytic system was very effective for the synthesis of bio-related molecules and deuterated alcohols,as well as the three-component coupling between methyl ketones,primary alcohols,and *** reaction mechanism was further revealed by experiment and DFT mechanistic investigations.

关键词： Ru complexes Methanol Ketones β-Methylated secondary alcohols Transfer hydrogenation

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Peracetic acid catalytic activation using Co3O4 nanocluster decorated graphitic carbon nitride for cefapirin degradation in water

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Science China Technological Sciences 2024年第10期67卷 3103-3115页

作者： YIN ShiMei GAO YiXuan CHEN Long LI Fan liu XiaoNa QI Fei liu wen Beijing Key Lab for Source Control Technology of Water Pollution College of Environmental Science and EngineeringBeijing Forestry University Key Laboratory of Water and Sediment Sciences (Ministry of Education) College of Environmental Sciences and EngineeringPeking University School of Environmental Science and Engineering Taiyuan University of Technology State Environmental Protection Key Laboratory of All Material Fluxes in River Ecosystems Peking University Beijing National Laboratory for Molecular Sciences Peking University

This study innovated cobalt-based catalytic nanocomposites（CCNs） for the heterogeneous activation of peracetic acid（PAA）,a green and efficient advanced oxidation process for removing antibiotics from *** Co3O4catalysts exhibit limited activity due to stable electronic *** overcome this,CCNs were synthesized using a one-step condensation method,incorporating a size control strategy that anchors Co3O4nanoclusters within 4-5 nm onto six-fold cavity of g-C3N4,simultaneously modifying the coordination environment of *** alteration significantly enhances the adsorption energy of PAA and catalytic activity compared to commercial *** improved performance of CCN2,in particular,is attributed to a shift in the cobalt d band center towards the Fermi level,facilitating electron delocalization and transfer,enhancing Co-O bonding,and accelerating PAA ***2's superior activity,with a cefapirin（CFP） degradation kinetic rate constant(k1=0.760 min-1)～11 times that of PAA direct oxidation(k1=0.070 min-1) and～5 times that of commercial Co3O4/PAA system(k1=0.164 min-1),is due to its ability to generate dominant reactive species for antibiotic degradation,including alkoxy radicals(CH3C（=O）OO·),high valence metal(CoⅣ（=O）2+),and singlet oxygen（1O2）,with the latter two being crucial for the degradation *** degradation of CFP involved three mechanisms,including direct oxidation by PAA,decarboxylation,and open-ring reactions at nitrogen *** research provides insights into developing high-activity catalysts for efficient PAA activation and antibiotic removal,leveraging the strategy of shifting the transition metal d band center.

关键词： peracetic acid Co3O4 nanocluster high valence metal singlet oxygen cefapirin

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DeepCRBP:improved predicting function of circRNA-RBP binding sites with deep feature learning

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Frontiers of Computer Science 2024年第2期18卷 235-237页

作者： Zishan XU Linlin SONG Shichao liu wen ZHANG College of Informatics Huazhong Agricultural UniversityWuhan 430070China

1 Introduction Recently,there is growing evidence that it is essential to predict the interactions between circRNAs and RBP binding sites for diagnosing diseases and providing a potential target to treat diseases[1].Many studies have predicted the binding sites of circRNA-RBPs by using deep learning methods based on the sequence information of circRNAs for each ***,many methods focus on diversified view of sequence encoding for improving the performance of the predictive models.

关键词： learning Deep function

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Locally and globally uniform approximations for ruin probabilities of a nonstandard bidimensional risk model with subexponential claims

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Applied Mathematics(A Journal of Chinese Universities) 2024年第1期39卷 98-113页

作者： liu Zai-ming GENG Bing-zhen WANG Shi-jie School of Mathematics and Statistics Central South UniversityChangsha 410083China School of Big Data and Statistics Anhui UniversityHefei 230601China

Consider a nonstandard continuous-time bidimensional risk model with constant force of interest,in which the two classes of claims with subexponential distributions satisfy a general dependence structure and each pair of the claim-inter-arrival times is arbitrarily *** some mild conditions,we achieve a locally uniform approximation of the finite-time ruin probability for all time horizon within a finite *** we further assume that each pair of the claim-inter-arrival times is negative quadrant dependent and the two classes of claims are consistently-varying-tailed,it shows that the above obtained approximation is also globally uniform for all time horizon within an infinite interval.

关键词： bidimensional risk model asymptotic formula subexponential distribution consistently varying tail ruin probability

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Valorization of carbon dioxide with alcohols

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Chinese Chemical Letters 2024年第7期35卷 54-58页

作者： Daheng wen Weiwei Fang Yongmei liu Tao Tu Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials Department of ChemistryFudan UniversityShanghai 200438China Jiangsu Co-Innovation Center of Efficient Processing and Utilization of Forest Resources International Innovation Center for Forest Chemicals and MaterialsCollege of Chemical EngineeringNanjing Forestry UniversityNanjing 210037China State Key Laboratory of Organometallic Chemistry Shanghai Institute of Organic ChemistryChinese Academy of SciencesShanghai 200032China

Utilizing CO_(2)for the production of bulky and valuable chemicals presents an attractive solution to address environmental and fossil energy *** the various approaches,direct carboxylation of alcohols with CO_(2)stands out as an eco-friendly process capable of efficiently producing carboxylic acids in a sustainable ***,the high dissociation energy of the C–O bond poses a significant challenge in this *** the past few decades,several strategies have been developed to activate alcohols and establish efficient catalytic systems for carboxylation with CO_(2).Nevertheless,the sporadic nature of reported approaches makes it difficult to determine the most effective *** perspective aims to provide an overview of the current state-of-the-art catalytic protocols for carboxylating alcohols with CO_(2),encompassing esterification,halogenation,and photocatalysis,while considering their respective advantages and *** aim to discern the most promising avenues for future development in this *** insights presented in this perspective will contribute to the advancement of efficient and sustainable carboxylation methods using CO_(2),leading to the production of valuable chemicals in future.

关键词： Carboxylation Carbon dioxide Alcohol Carboxylic acid Transition metal catalysis

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Nicotine up-regulates SLC7A5 expression depending on TRIM29 in non-small cell lung cancer

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Genes & Diseases 2024年第2期11卷 582-584页

作者： Dahua liu Haolin Ren Guimin wen Pu Xia Biological Anthropology Institute College of Basic Medical ScienceJinzhou Medical UniversityJinzhouLiaoning 121000China Department of Radiology The First Affiliated Hospital of Dalian Medical UniversityDalianLiaoning 116011China Department of Community Nursing College of NursingJinzhou Medical UniversityJinzhouLiaoning 121000China

Non-small cell lung cancer(NSCLC)is a malignant tumor that poses a serious threat to human ***(LUAD)and squamous cell carcinoma(LUSC)are two common types of *** originate from glandular and squamous cells of the bronchial epithelium,*** gene changes during tumorigenesis is conducive to the selection of suitable treatment methods for ***98 is a heterodimeric transmembrane glycoprotein,which is composed of a heavy chain and a light chain.1 cD98 heavy chain(CD98hc),also known as 4F2hc or SLC3A2,is an 85kDa type ll transmembraneglycoprotein,which consists of a cytoplasmic region(NH2 terminal),a single chain transmembrane region,and a huge extracellular region(COOH terminal).1 CD98hc can combine with the CD98 light chain,LAT1(SLC7A5),to form CD98 protein through disulfide bonds.1 SLC7A5 is a 12 times transmembrane helix bundle protein composed of 501-535 amino acid residues1.

关键词： lung cancer NSCLC

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Polyimide covalent organic frameworks as efficient solid-state Li^(+) electrolytes

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Science China Chemistry 2024年第5期67卷 1647-1652页

作者： Xu liu Shi Wang Siqi liu Chengfang liu Xiangchun Li Jian Wu Dazhi Li Shihao Xu Chongyang liu wen-Yong Lai State Key Laboratory of Organic Electronics and Information Displays(SKLOEID) Institute of Advanced Materials(IAM)School of Chemistry and Life SciencesNanjing University of Posts&TelecommunicationsNanjing 210023China

Covalent organic frameworks(COFs) are attractive porous crystalline materials with extremely high stability, easy functionalization, and open channels, which are expected to be unique ion conductors/transporters in lithium ion batteries(LIBs). Despite recent advances, low ion conductivity and low transference number, resulting in low charging/discharging rate, low energy density, and short battery life, are the main issues that limit their direct application as solid electrolytes in LIBs. Here, we designed and synthesized a novel polyimide COF, namely, TAPA-PDI-COF, with abundant C=O groups, which has been successfully employed as high-performance solid electrolytes by doping TAPA-PDI-COF and succinonitrile(SN). Both the well-defined nanochannels of COFs and SN confined in the well-aligned channels restricted the free migration of anions, while C=O on COFs and CN groups of SN enhanced Li^(+) transport, thus achieving a high ion conductivity of 0.102 m S cm^(-1)at 80 °C and a high lithium-ion transference number of 0.855 at room temperature. According to density functional theory(DFT)calculations, Li-ion migration mainly adopted in-plane transport rather than the axial pathway, which may be due to the shorter hopping distances in the planar pathway. The results suggest an effective strategy for the design and development of all-solidstate ionic conductors for achieving high-performance LIBs.

关键词： lithium ion batteries(LIBs) covalent organic frameworks(COFs) solid-state ion conductors solid-state electrolytes ion conductivity

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Conductive edge-warping graphite mesas for robust structural superlubricity

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Science China(Technological Sciences) 2024年第7期67卷 2040-2049页

作者： FENG WeiJia liu Ying MA ming PENG DeLi NIE JinHui State Key Laboratory of Tribology in Advanced Equipment&Department of Mechanical Engineering Tsinghua UniversityBeijing 100084China Center for Nano and Micro Mechanics Tsinghua UniversityBeijing 100084China Institute of Superlubricity Technology Research Institute of Tsinghua University in ShenzhenShenzhen 518057China

Structural superlubricity(SSL) refers to a state of ultralow friction and zero wear when two solid surfaces slide against each other. Recent investigations have identified amorphous carbon at the edge of the graphite mesa as the primary source of friction in such SSL systems. Here, the tensile stress of metal thin film is exploited to engineer vertically conductive edge-warping graphite mesas(EWGM). Through this approach, robust SSL performance is realized, demonstrated by sliding an 8 μm side length square EWGM on an atomically smooth Au substrate for 10000 cycles at a constant voltage of 1 m V. In this SSL system,differential friction coefficients lower than 1.5 × 10^(-4) are achieved, with static contact resistance between EWGM and Au substrate as low as 28Ω and sliding contact resistance as low as 32Ω. Moreover, the EWGM exhibits SSL behavior on polished Si wafer substrates. Furthermore, because of the no-edge contact with the substrate during sliding, friction is independent of the sliding speed of the EWGM. This study presents the first successful fabrication of conductive EWGM. Remarkably, in both EWGM-Au and EWGM-Si SSL systems, the measured frictions are more than one order of magnitude lower than those of ordinary self-retracting graphite mesas with no-edge warping, and no wear is observed during extended current-carrying ***, these findings establish a solid groundwork for the future realization of macroscale conductive SSL systems.

关键词： structural superlubricity graphite mesa contact resistance tensile stress edge warping

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Robust fixed-time flight controller for a dual-system convertible UAV in the cruise mode

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Defence Technology（防务技术） 2024年第9期39卷 53-66页

作者： Lulu Chen Zhenbao liu Qingqing Dang wen Zhao wenyu Chen School of Civil Aviation Northwestern Polytechnical UniversityXi'an 710072China Shenzhen Research Institute of Northwestern Polytechnical University Shenzhen 518057China Air and Missile Defense College Air Force Engineering UniversityXi'an 710051China

This paper investigates the attitude tracking control problem for the cruise mode of a dual-system convertible unmanned aerial vehicle(UAV)in the presence of parameter uncertainties,unmodeled uncertainties and wind ***,a fixed-time disturbance observer(FXDO)based on the bi-limit homogeneity theory is designed to estimate the lumped disturbance of the convertible UAV ***,a fixed-time integral sliding mode control(FXISMC)is combined with the FXDO to achieve strong robustness and chattering ***-limit homogeneity theory and Lyapunov theory are applied to provide detailed proof of the fixed-time ***,numerical simulation experimental results verify the robustness of the proposed algorithm to model parameter uncertainties and wind *** addition,the proposed algorithm is deployed in a open-source UAV autopilot and its effectiveness is further demonstrated by hardware-in-the-loop experimental results.

关键词： Convertible UAV Flight control Disturbance observer Fixed-time control

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