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High-dimensional large-scale mixed-type data imputation under missing at random

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Science China Mathematics 2025年

作者： wei Liu Guizhen Li ling Zhou Lan luo School of Mathematics Sichuan University Center of Statistical Research and School of Statistics Southwestern University of Finance and Economics Department of Statistics and Actuarial Science University of Iowa

Missingness in mixed-type variables is commonly encountered in a variety of areas. The requirement of complete observations necessities data imputation when a moderate or large proportion of data is ***, inappropriate imputation would downgrade the performance of machine learning algorithms, leading to bad predictions and unreliable statistical inference. For high-dimensional large-scale mixed-type missing data, we develop a computationally efficient imputation method, missing value imputation via generalized factor models（MIG）, under missing at random. The proposed MIG method allows missing variables to be of different types,including continuous, binary, and count variables, and are scalable to both data size n and variable dimension p while existing imputation methods rely on restrictive assumptions such as the same type of missing variables,the low dimensionality of variables, and a limited sample size. We explicitly show that the imputation error of the proposed MIG method diminishes to zero with the rate Op(max{n-1/2, p-1/2}) as both n and p tend to infinity. Five real datasets demonstrate the superior empirical performance of the proposed MIG method over existing methods that the average normalized absolute imputation error is reduced by 5.3%–34.1%.

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Product Knowledge Representation and Integration Technology in Web-based Collaborative Design

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武汉理工大学学报 2006年第S1期28卷 220-227页

作者： HAO Wentao,TIAN ling,luo wei,TONG Bingshu (Department of Precision Instruments and Mechanology,Tsinghua University,Beijing 100084,China) Department of Precision Instruments and Mechanology Tsinghua UniversityBeijing 100084China

Because of the complexity of modern product design,the web-based collaborative product design aroused considerable attention of manufacturers in the last few years with the development of Internet technology. But it is still hardly achievable due to the difficulty to share product knowledge from different designers and systems. In this paper,we firstly create an ontology-based product model,which consists of PPR (Product,Process and Resource) concept models and PPR characteristic models,to describe product knowledge. Afterwards,how to represent the model in XML is discussed in detail. Then the mechanism of product knowledge collection and integration from different application systems based on interface agents is introduced. At last,a web-based open-architecture product knowledge integrating and sharing prototype system AD-HUB is developed. An example is also given and it shows that the theory discussed in this paper is efficient to represent and integrate product knowledge in web-based collaborative design processes.

关键词： collaborative design knowledge representation ontology interface agent

Boosting Oxygen Evolution Reaction Performance on NiFe‑Based Catalysts Through d‑Orbital Hybridization

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Nano-Micro Letters 2025年第1期17卷 281-292页

作者： Xing Wang wei Pi Sheng Hu Haifeng Bao Na Yao wei luo State Key Laboratory of New Textile Materials and Advanced Processing Technology Key Laboratory of New Textile Materials and Applications of Hubei ProvinceSchool of Materials Science and EngineeringWuhan Textile UniversityWuhan 430200People’s Republic of China College of Chemistry and Molecular Sciences Wuhan UniversityWuhan 430072People’s Republic of China

Anion-exchange membrane water electrolyzers(AEMWEs)for green hydrogen production have received intensive attention due to their feasibility of using earth-abundant NiFe-based *** introducing a third metal into NiFe-based catalysts to construct asymmetrical M-NiFe units,the d-orbital and electronic structures can be adjusted,which is an important strategy to achieve sufficient oxygen evolution reaction(OER)performance in ***,the ternary NiFeM(M:La,Mo)catalysts featured with distinct M-NiFe units and varying d-orbitals are reported in this *** and theoretical calculation results reveal that the doping of La leads to optimized hybridization between d orbital in NiFeM and 2p in oxygen,resulting in enhanced adsorption strength of oxygen intermediates,and reduced rate-determining step energy barrier,which is responsible for the enhanced OER *** critically,the obtained NiFeLa catalyst only requires 1.58 V to reach 1 A cm^(−2) in an anion exchange membrane electrolyzer and demonstrates excellent long-term stability of up to 600 h.

关键词： NiFe-based catalysts d-orbital coupling Oxygen evolution reaction Anion exchange membrane electrolyzer

A functional cathode sodium compensation agent for stable sodium-ion batteries

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Green Energy & Environment 2025年第1期10卷 173-182页

作者： wei Wu Zhenglin Hu Zhengfei Zhao Aoxuan Wang Jiayan luo Key Laboratory for Green Chemical Technology of Ministry of Education School of Chemical Engineering and TechnologyTianjin UniversityTianjin300072China State Key Laboratory of Metal Matrix Composites School of Materials Science and EngineeringShanghai Jiao Tong UniversityShanghai200240China Shanghai Jiao Tong University Shaoxing Research Institute of Renewable Energy and Molecular Engineering Shaoxing312000China

Hard carbon(HC)is widely used in sodium-ion batteries(SIBs),but its performance has always been limited by lowinitial Coulombic efficiency(ICE)and cycling *** compensation agent is a favorable strategy to make up for the loss of active sodium ions consumed *** it lacks agent that effectively decomposes to increase the active sodium ions as well as regulate carbon defects for decreasing the irreversible sodium ions ***,we propose 1,2-dihydroxybenzene Na salt(NaDB)as a cathode compensation agent with high specific capacity(347.9 mAh g^(-1)),lower desodiation potential(2.4–2.8 V)and high utilization(99%).Meanwhile,its byproduct could functionalize HC with more C]O groups and promote its reversible ***,the presodiation hard carbon(pHC)anode exhibits highly reversible capacity of 204.7 mAh g^(-1) with 98%retention at 5 C rate over 1000 ***,with 5 wt%NaDB initially coated on the Na3V2(PO4)3(NVP)cathode,the capacity retention of NVP t NaDBjHC cell could increase from 22%to 89%after 1000 cycles at 1 C *** work provides a new avenue to improve reversible capacity and cycling performance of SIBs through designing functional cathode compensation agent.

关键词： Hard carbon ICE Cathode compensation agent Reversible capacity Stability

Design and Application of Turbine Cascade Partitioned Endwall Profiling

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Journal of Thermal Science 2025年第1期34卷 110-128页

作者： ZENG Fei JIANG Ruiqi XUE Xingxu DU wei luo Lei ZHOU Xun AECC Hunan Aviation Powerplant Research Institute School of Energy Science and Technology Harbin Institute of Technology Science and Technology on Diesel Engine Turbocharging Laboratory China North Engine Research Institute

The influence of partitioned profiling design based on a large-pitch highly loaded cascade is studied by numerical *** partitioned profile is mainly composed of a pressure-side convex structure near the leading edge and a suction-side convex structure at the midstream and downstream sides of the *** influence of the change in the vertex axial position and peak value of the B-line on the secondary flow control is *** this paper,air(ideal gas) is selected as the flow *** average static pressure at the outlet and the average total temperature at the inlet are kept *** γ-θ is used as the turbulence *** results show that the pressure-side convex structure suppresses the spanwise and pitchwise migration of the inlet flow by adjusting the static pressure distribution of the flow field,so the development of the pressure-side leg of the horseshoe vortex is effectively *** suction-side convex structure adjusts the static pressure distribution of the flow field and increases the included angle between the cross-flow and suction surface,so the accumulation of low-momentum fluid,the development of a corner vortex and the flow separation at the trailing edge of the suction-side surface are all suppressed near the endwall-suction ***,the energy loss coefficient of the large-pitch highly loaded cascade is decreased from 0.0564 to 0.0485,representing a 25% reduction in secondary flow losses.

关键词： Vortex flow

Enantioselective reductive conjugate alkenylation of α,β-enones with keto alkenyl acetates by nickel catalysis

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Science China Chemistry 2025年第1期68卷 157-162页

作者： Rong-De He Yun-Lei luo Qiu-Quan Pan Qi-wei Yao Xing-Zhong Shu State Key Laboratory of Applied Organic Chemistry College of Chemistry and Chemical Engineering Lanzhou University

Reactions involving alkenyl acetates offer cost-effective and environmentally friendly routes for alkene synthesis, yet their asymmetric variant remains elusive. Concurrently, asymmetric conjugate alkenylation predominantly centered on nucleophilic addition using alkenyl–M. This manuscript presents an asymmetric reductive conjugate alkenylation reaction involving alkenyl acetates. The method facilitates the enantioselective addition of keto alkenyl groups to α,β-enones, resulting in the formation of unsaturated diketones—a class of useful structural motifs that are challenging to access otherwise. The use of electron-rich Pyroxy ligand is essential for achieving both high reaction efficiency and enantioselectivity.

关键词： nickel alkenylation asymmetric cross-coupling alkenes

Stiffness-tunable biomaterials provide a good extracellular matrix environment for axon growth and regeneration

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Neural Regeneration Research 2025年第5期20卷 1364-1376页

作者： Ronglin Han Lanxin luo Caiyan wei Yaru Qiao Jiming Xie Xianchao Pan Juan Xing Department of Pathophysiology School of Basic Medical SciencesSouthwest Medical UniversityLuzhouSichuan ProvinceChina Department of Medicinal Chemistry School of PharmacySouthwest Medical UniversityLuzhouSichuan ProvinceChina

Neuronal growth, extension, branching, and formation of neural networks are markedly influenced by the extracellular matrix—a complex network composed of proteins and carbohydrates secreted by cells. In addition to providing physical support for cells, the extracellular matrix also conveys critical mechanical stiffness cues. During the development of the nervous system, extracellular matrix stiffness plays a central role in guiding neuronal growth, particularly in the context of axonal extension, which is crucial for the formation of neural networks. In neural tissue engineering, manipulation of biomaterial stiffness is a promising strategy to provide a permissive environment for the repair and regeneration of injured nervous tissue. Recent research has fine-tuned synthetic biomaterials to fabricate scaffolds that closely replicate the stiffness profiles observed in the nervous system. In this review, we highlight the molecular mechanisms by which extracellular matrix stiffness regulates axonal growth and regeneration. We highlight the progress made in the development of stiffness-tunable biomaterials to emulate in vivo extracellular matrix environments, with an emphasis on their application in neural repair and regeneration, along with a discussion of the current limitations and future prospects. The exploration and optimization of the stiffness-tunable biomaterials has the potential to markedly advance the development of neural tissue engineering.

关键词： alginate axon growth biomaterials extracellular matrix neural repair neurons neuroregeneration polyacrylamide polydimethylsiloxane stiffness

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

Effect of Ti Additions on Mechanical and Thermodynamic Properties of W-Ti Alloys: A First-principles Study

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Journal of Wuhan University of Technology(Materials Science) 2025年第1期40卷 246-257页

作者： ZHANG Jian NIE wei HUANG Jin ZHU Ke LIU Ruxia ZHANG Ruizhi luo Guoqiang SHEN Qiang State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan 430070China Institute for Carbon Neutrality University of Science and Technology BeijingBeijing 100083China

The mechanical and thermodynamic properties of W-Ti alloys(including W_(15)Ti_(1),W_(14)Ti_(2),W_(12)Ti_(4) and W_(8)Ti_(8) alloys)were investigated by the first-principles approach based on density functional *** results indicate that W-Ti alloys except W_(8)Ti_(8) are thermodynamically *** modulus and hardness of W-Ti alloys are smaller than those of pure tungsten and gradually decrease with increasing Ti ***,their B/G ratios and Poisson's ratios exceed those of pure tungsten,suggesting that the introduction of Ti decreases the mechanical strength while enhancing the ductility of W-Ti *** thermal expansion coefficients for W-Ti alloys all surpass those of pure tungsten,indicating that the introduction of titanium exacerbates the thermal expansion behavior of W-Ti ***,elevated pressure has the capacity to suppress the thermal expansion tendencies in titanium-doped tungsten *** study offers theoretical insights for the design of nuclear materials by exploring the mechanical and thermodynamic properties of W-Ti alloys.

关键词： first-principles mechanical properties thermodynamic properties tungsten-titanium alloys