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Unified Classification and Rejection:A One-versus-all Framework

Machine Intelligence Research 2024年第5期21卷 870-887页

作者： Zhen cheng Xu-Yao Zhang cheng-Lin liu State Key Laboratory of Multimodal Artificial Intelligence Systems Institute of AutomationChinese Academy of SciencesBeijing100190China School of Artificial Intelligence University of Chinese Academy of SciencesBeijing100049China

Classifying patterns of known classes and rejecting ambiguous and novel(also called as out-of-distribution(OOD))inputs are involved in open world pattern *** neural network models usually excel in closed-set classification while perform poorly in rejecting OOD *** tackle this problem,numerous methods have been designed to perform open set recognition(OSR)or OOD rejection/detection *** methods mostly take post-training score transformation or hybrid models to ensure low scores on OOD inputs while separating known *** this paper,we attempt to build a unified framework for building open set classifiers for both classification and OOD *** formulate the open set recognition of K-known-class as a(K+1)-class classification problem with model trained on known-class samples *** decomposing the K-class problem into K one-versus-all(OVA)binary classification tasks and binding some parameters,we show that combining the scores of OVA classifiers can give(K+1)-class posterior probabilities,which enables classification and OOD rejection in a unified *** maintain the closed-set classification accuracy of the OVA trained classifier,we propose a hybrid training strategy combining OVA loss and multi-class cross-entropy *** implement the OVA framework and hybrid training strategy on the recently proposed convolutional prototype network and prototype classifier on vision transformer(ViT)*** on popular OSR and OOD detection datasets demonstrate that the proposed framework,using a single multi-class classifier,yields competitive performance in closed-set classification,OOD detection,and misclassification *** code is available at https://***/zhen-cheng121/CPN_OVA_unified.

关键词： Open set recognition out-of-distribution detection misclassification detection convolutional prototype network oneversus-all Dempster-Shafer theory of evidence

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Uncertainty and disturbance estimator-based model predictive control for wet flue gas desulphurization system

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Chinese Journal of Chemical Engineering 2024年第3期67卷 182-194页

作者： Shan liu Wenqi Zhong Li Sun xi Chen Rafal Madonski School of Energy and Environment Key Laboratory of Energy Thermal Conversion and Control of Ministry of EducationSoutheast UniversityNanjing 210096China Faculty of Automatic Control Electronics and Computer ScienceSilesian University of TechnologyGliwise 44-100Poland

Wet flue gas desulphurization technology is widely used in the industrial process for its capability of efficient pollution *** desulphurization control system,however,is subjected to complex reaction mechanisms and severe disturbances,which make for it difficult to achieve certain practically relevant control goals including emission and economic performances as well as system *** address these challenges,a new robust control scheme based on uncertainty and disturbance estimator(UDE)and model predictive control(MPC)is proposed in this *** UDE is used to estimate and dynamically compensate acting disturbances,whereas MPC is deployed for optimal feedback regulation of the resultant *** viewing the system nonlinearities and unknown dynamics as disturbances,the proposed control framework allows to locally treat the considered nonlinear plant as a linear *** obtained simulation results confirm that the utilization of UDE makes the tracking error negligibly small,even in the presence of unmodeled *** the conducted comparison study,the introduced control scheme outperforms both the standard MPC and PID(proportional-integral-derivative)control strategies in terms of transient performance and ***,the results reveal that a lowpass-filter time constant has a significant effect on the robustness and the convergence range of the tracking error.

关键词： Desulphurization system Disturbance rejection Model predictive control Uncertainty and disturbance estimator Nonlinear system

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Transforming liquid flow fuel cells to controllable reactors for highlyefficient oxidation of 5-hydroxymethylfurfural to 2, 5-furandicarboxylic acid at low temperature

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Journal of Energy Chemistry 2024年第3期90卷 621-631,I0014页

作者： Ye Qiang xi liu Denghao Ouyang Zhao Jiang Xuebing Zhao Key Laboratory of Industrial Biocatalysis Ministry of EducationTsinghua UniversityBeijing 100084China Institute of Applied Chemistry Department of Chemical EngineeringTsinghua UniversityBeijing 100084China School of Chemical Engineering and Technology Xi'an Jiaotong UniversityXi'an 710049ShaanxiChina

Highly-efficient oxidation of 5-hydroxymethylfurtural(HMF) to 2,5-furandicarboxylic acid(FDCA) at low temperature with air as the oxidant is still ***,inspired by the respirato ry electron transport chain(ETC) of living cells mediated by electron carriers,we constructed artificial ETCs and transformed liquid flow fuel cells(LFFCs) to flexible reactors for efficient oxidation of HMF to produce FDCA under mild *** LFFC reactor employed an electrodeposition modified nickel foam as an anode to promote HMF oxidation and(VO_(2))_(2)SO_(4) as a cathode electron carrier to facilitate the electron transfer to *** reaction rate could be easily controlled by selecting the anode catalyst,adjusting the external loading and changing the cathodic electron carrier or oxidants.A maximal power density of 44.9 mW cm^(-2) at room temperature was achieved,while for FDCA production,short-circuit condition was preferred to achieve quick transfer of *** a single batch operation with 0.1 M initial HMF,FDCA yield reached 97.1%.By fed-batch operation,FDCA concentration reached 144.5 g L^(-1) with a total yield of 96%.Ni^(2+)/Ni^(3+) redox couple was the active species mediating the electron transfer,while both experimental and DFT calculation results indicated that HMFCA pathway was the preferred reaction mechanism.

关键词： 5-Hydroxymethylfurfural 2 5-Furandicarboxylic acid Electrodeposition Electron transport chain Liquid flow fuel cell

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Electrochemical reduction of carbon dioxide to produce formic acid coupled with oxidative conversion of biomass

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Journal of Energy Chemistry 2024年第5期92卷 705-729页

作者： xi liu Yifan Wang Zhiwei Dai Daihong Gao Xuebing Zhao Key Laboratory of Industrial Biocatalysis Ministry of EducationTsinghua UniversityBeijing 100084China Institute of Applied Chemistry Department of Chemical EngineeringTsinghua UniversityBeijing 100084China

Electrochemical reduction of CO_(2)(CO_(2)RR)has become a research hot spot in recent years in the context of carbon *** is one of the most promising products obtained by electrochemical reduction of CO_(2) due to its high energy value as estimated by market price per energy unit and wide application in chemical *** is the most abundant renewable resource in the natural *** biomass oxidative conversion with CO_(2)RR driven by renewable electricity would well achieve carbon *** this work,we comprehensively reviewed the current research progress on CO_(2)RR to produce HCOOH and coupled system for conversion of biomass and its derivatives to produce value-added ***-and Bi-based electrocatalysts are discussed for CO_(2)RR with regards to the structure of the catalyst and reaction ***-oxidation reactions of biomass derived sugars,alcohols,furan aldehydes and even polymeric components of lignocellulose were reviewed as alternatives to replace oxygen evolution reaction(OER)in the conventional electrolysis *** was recommended that to further improve the efficiency of the coupled system,future work should be focused on the development of more efficient and stable catalysts,careful design of the electrolytic cells for improving the mass transfer and development of environment-friendly processes for recovering the formed formate and biomass oxidation products.

关键词： Electrochemical reduction of CO_(2) Formic acid Oxidative conversion of biomass Lignocellulose Coupled system

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Corporate Credit Ratings Based on Hierarchical Heterogeneous Graph Neural Networks

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Machine Intelligence Research 2024年第2期21卷 257-271页

作者： Bo-Jing Feng xi cheng Hao-Nan Xu Wen-Fang Xue Center for Research on Intelligent Perception and Computing National Laboratory of Pattern RecognitionInstitute of AutomationChinese Academy of SciencesBeijing 100190China

order to help investors understand the credit status of target corporations and reduce investment risks,the corporate credit rating model has become an important evaluation tool in the financial *** models are based on statistical learning,machine learning and deep learning especially graph neural networks(GNNs).However,we found that only few models take the hierarchy,heterogeneity or unlabeled data into account in the actual corporate credit rating ***,we propose a novel framework named hierarchical heterogeneous graph neural networks(HHGNN),which can fully model the hierarchy of corporate features and the heterogeneity of relationships between *** addition,we design an adversarial learning block to make full use of the rich unlabeled samples in the financial *** experiments conducted on the public-listed corporate rating dataset prove that HHGNN achieves SOTA compared to the baseline methods.

关键词： Corporate credit rating hierarchical relation heterogeneous graph neural networks adversarial learning

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Impacts of electrochemical disinfection on the viability and structure of the microbiome in secondary effluent water

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Frontiers of Environmental Science & Engineering 2024年第5期18卷 73-83页

作者： Marvin Yeung Lan Tian Yuhong liu Hairong Wang Jinying xi Environmental Simulation and Pollution Control State Key Joint Laboratory School of EnvironmentTsinghua UniversityBeijing100084China Graduate School at Shenzhen Tsinghua UniversityShenzhen518055China

Electrochemical disinfection(ECD)is a promising disinfection technique for wastewater reclamation;however,the impacts of ECD on the microbiome in secondary effluent wastewater remain *** this study,Propidium monoazide-qPCR(PMA-qPCR)and the plate count method were used to evaluate the inactivation performance,and the PMA-16S rRNA gene sequences of living cells were targeted to study the microbiome.A discrepancy was found between PMA-qPCR and the plate count method in the evaluation of cell count,with increases of 1.5 to 2.2 orders of magnitude in the disinfection rate after 150 s of ***,the cell count recovered and occasionally exceeded original levels within 3 d after *** was suppressed after ECD,but the microbiome after 150 s disinfection retained a higher level of evenness and stability in the community with a median Shannon index(>3.7).Pathogenic bacteria remained high in relative abundance even after 150 s of 25 V disinfection,but the biofilm-forming population was effectively suppressed by *** co-occurrence network revealed a centralized and fragile network as disinfection persisted,demonstrating the destabilizing effects of ECD on the *** pathways for cell membrane synthesis and organic compound degradation were enriched after *** reaction of the microbiome after ECD was similar to other disinfection techniques in terms of community structure.

关键词： Electrochemical disinfection Secondary effluent Microbiome

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Microstructure,wear and friction behavior of CoCrAITaY-xCNTs composite coatings deposited by laser-induction hybrid cladding

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Rare Metals 2024年第4期43卷 1815-1827页

作者： Sheng-Feng Zhou Yu Long Yan-Liang Yi cheng Deng Lian-xi Hu Institute of Advanced Wear&Corrosion Resistant and Functional Materials Jinan UniversityGuangzhou510632China Wuhan National Laboratory for Optoelectronics(WNLO) Huazhong University of Science and TechnologyWuhan430074China MOE Key Laboratory of New Processing Technology for Non-Ferrous Metals and Materials Guangxi Key Laboratory of Processing for Non-Ferrous Metals and Featured MaterialsGuangxi UniversityNanning530004China School of Mechatronics Engineering Guangdong Polytechnic Normal UniversityGuangzhou510635China School of Materials Science and Engineering Harbin Institute of TechnologyHarbin150001China

To improve the wear performance of CoCrAlYTa coating,part of the carbon nanotubes(CNTs)chemically reacted with Ta to form reinforcement phase(TaC),while the other CNTs were retained as lubrication ***,the CoCrAlYTa-xCNTs(x=0,1,2,and 4;wt%)composite coatings were prepared by laserinduction hybrid cladding(LIHC),and the microstructure and wear resistance of coatings were systematically *** show that the coatings are mainly composed of TaC,y-(Co,Cr)andβ-(Co,Cr)*** the CNTs content increases from 0 wt%to 4 wt%,the volume fraction of TaC increases from 13.11 vol%to 16.12 vol%.Meanwhile,the nano-hardness ofγ-(Co,Cr)andβ-(Co,Cr)Al are improved from 7.49 and 9.72 to 9.36 and 11.19 GPa,*** a result,the microhardness of coating increases from HV536.25 to HV 738.16,the wear rate decreases from32.4×10^(-3)to 6.1×10^(-3)mg·m^(-1),and the average friction coefficient decreases from 0.55 to *** good wear performance of the coating is attributed to the formation of TaC and the existence of remained CNTs lubricant film.

关键词： Carbon nanotube MCrAlY coating Friction and wear performance Laser-induction hybrid cladding

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Liquid metal biomaterials: translational medicines,challenges and perspectives

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National Science Review 2024年第2期11卷 264-284页

作者： Hanchi Xu Jincheng Lu Yikuang xi Xuelin Wang Jing liu Department of Biomedical Engineering School of Medicine Tsinghua University Beijing Tsinghua Changgung Hospital School of Clinical Medicine Tsinghua University Shanghai World Foreign Language Academy Beijing Advanced Innovation Center for Biomedical Engineering School of Engineering MedicineBeihang University Beijing Key Lab of Cryo-Biomedical Engineering and Key Lab of Cryogenics Technical Institute of Physics and Chemistry Chinese Academy of Sciences

Until now, significant healthcare challenges and growing urgent clinical requirements remain incompletely addressed by presently available biomedical materials. This is due to their inadequate mechanical compatibility, suboptimal physical and chemical properties, susceptibility to immune rejection, and concerns about long-term biological safety. As an alternative, liquid metal(LM) opens up a promising class of biomaterials with unique advantages like biocompatibility, flexibility, excellent electrical conductivity,and ease of functionalization. However, despite the unique advantages and successful explorations of LM in biomedical fields, widespread clinical translations and applications of LM-based medical products remain limited. This article summarizes the current status and future prospects of LM biomaterials, interprets their applications in healthcare, medical imaging, bone repair, nerve interface, and tumor therapy, *** to translate LM materials into medicine and obstacles encountered in practices are *** that, we outline a blueprint for LM clinics, emphasizing their potential in making new-generation artificial organs. Last, the core challenges of LM biomaterials in clinical translation, including bio-safety,material stability, and ethical concerns are also discussed. Overall, the current progress, translational medicine bottlenecks, and perspectives of LM biomaterials signify their immense potential to drive future medical breakthroughs and thus open up novel avenues for upcoming clinical practices.

关键词： liquid metal biomaterials translational medicine clinical device healthcare therapeutics

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Soluble expression of active human β-defensin-3 in Escherichia coli and its effects on the growth of host cells

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Chinese Medical Journal 2007年第8期120卷 708-713页

作者： SI Li-gang liu xi-cheng LU You-yong WANG Gen-yu LI Wen-mei Beijing Pediatric Research Institute Beijing Children＇s Hospital Affiliated to Capital Medical University Beijing 100045 China Molecular Oncology Laboratory Beijing Institute for Cancer Research School of Oncology Peking University Beijing 100034 China

Background Human β-defensin-3 （HBD3） is an epithelial peptide that has been demonstrated to have a salt-insensitive broad spectrum of potent antimicrobial activity. Expressing antimicrobial peptides in Escherichia coil （E. colt） is very difficult for it can result in death of the bacterial host cells. Our aim was to establish a prokaryotic system expressing soluble HBD3 protein and demonstrate the antimicrobial activity of the expressed protein. We then studied whether the host cells would activate the suicide pathways. Methods We first cloned the complementary DNA coding for the mature chain of HBD3, inserted it into the vector PGEX-KG then transformed E. coil BL21 （DE3） with the appropriate recombinant plasmid. After induction with 0.5 mmol/L isopropyl-1-thio-β-D-galactopyranoside （IPTG） the transformed E. cofiproduced a recombinant glutathione S-transferase and HBD3 （GST-HBD3） fusion protein. The fusion protein was treated with thrombin to produce pure HBD3 protein then the antimicrobial activity of HBD3 was evaluated in a liquid microdilution assay. Results The fusion protein GST-HBD3 was efficiently cleaved by thrombin and yielded HBD3 that had anti-staphylococcus aureus activity with a minimal inhibitory concentration level of 12.5 μg/ml. The E. coil strain expressing the recombinant protein did not grow slower than the empty vector strain. Conclusion Active HBD3 in E. coil by expressing the recombinant protein GST-HBD3 could be produced, and suicide did not occur in the E. coli strain expressing the recombinant protein.

关键词： human beta-defensin-3 antimicrobial peptide prokaryotic expression

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An unprecedented synthesis of axially chiral biaryls by rearrangement and aromatization of carbocations with central-to-axial conversion of chirality

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Science China Chemistry 2024年第9期67卷 2998-3003页

作者： Qi liu Xue-Dong Li Liang cheng Li liu Beijing National Laboratory for Molecular Sciences(BNLMS) CAS Key Laboratory of Molecular Recognition and FunctionCAS Research/Education Center for Excellence in Molecular SciencesInstitute of ChemistryChinese Academy of SciencesBeijing 100190China University of Chinese Academy of Sciences Beijing 100049China

The central-to-axial chirality conversion represents a fascinating class of chemical processes consisting of the destruction of stereogenic centers and the simultaneous installation of axial chiral elements,which provides efficient methods for the preparation of axially chiral ***,developing catalytic asymmetric approaches for constructing these central chirality precursors and the efficient central-to-axial chirality conversion remains a challenge due to the requirement of aromatization or elimination *** this work,we have developed an unprecedented enantioselective intramolecular FriedelCrafts alkylation with unactivated-ketone carbonyls from which a chiral tertiary alcohol was generated with high efficiency and excellent *** addition,the central-to-axial chirality conversion strategy has been successfully applied to the synthesis of enantioenriched biaryls via a less-explored carbocation-initiated rearrangement and aromatization under the promotion of Lewis *** methodology provided a straightforward and sustainable access to a broad range of biaryl-2-carboxylic acid and in excellent yields(up to 92%)and excellent central-to-axial chirality conversion(up to 99%conversion percentage).This work could be a great model for developing new methods for synthesizing axially chiral biaryls and a general protocol for the rearrangement and aromatization of carbocations for further functionalization.

关键词： br?nsted acid catalysis desymmetrization phosphoric acid axially chiral biaryls central-to-axial conversion

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