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Advances of machine learning in materials science: Ideas and techniques

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Frontiers of physics 2024年第1期19卷 155-194页

作者： Sue Sin Chong yi Sheng ng Hui-Qiong Wang jin-Cheng Zheng Department of New Energy Science and Engineering Xiamen University MalaysiaSepang 43900Malaysia Engineering Research Center of Micro-nano Optoelectronic Materials and Devices Ministry of EducationFujian Key Laboratory of Semiconductor Materials and ApplicationsCI Center for OSEDand Department of PhysicsXiamen UniversityXiamen 361005China

In this big data era, the use of large dataset in conjunction with machine learning (ML) has been increasingly popular in both industry and academia. In recent times, the field of materials science is also undergoing a big data revolution, with large database and repositories appearing everywhere. Traditionally, materials science is a trial-and-error field, in both the computational and experimental departments. With the advent of machine learning-based techniques, there has been a paradigm shift: materials can now be screened quickly using ML models and even generated based on materials with similar properties;ML has also quietly infiltrated many sub-disciplinary under materials science. However, ML remains relatively new to the field and is expanding its wing quickly. There are a plethora of readily-available big data architectures and abundance of ML models and software;The call to integrate all these elements in a comprehensive research procedure is becoming an important direction of material science research. In this review, we attempt to provide an introduction and reference of ML to materials scientists, covering as much as possible the commonly used methods and applications, and discussing the future possibilities.

关键词： machine learning materials science

Three-year field study on grass growth and soil hydrological properties in biochar-amended soil

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Journal of Rock Mechanics and Geotechnical Engineering 2024年第7期16卷 2764-2774页

作者： Haowen Guo Charles Wang Wai ng Junjun Ni Qi Zhang yuchen Wang Department of Civil and Environmental Engineering The Hong Kong University of Science and TechnologyHong KongChina School of Transportation Southeast UniversityNanjingChina

Field monitoring was conducted to investigate and quantify the long-term effects of peanut shell biochar on soil-grass interaction over three *** 10 m5 m grassed plots were constructed in completely decomposed granitic *** of them were amended,respectively,with 5%and 10%biochar contents(m^(3)/m^(3))for grass growth,while the third was without biochar *** the threeyear monitoring,plant characteristics,saturated water permeability(k_(s))of grassed soil and soil suction were *** monitored results show that the grass leaf area index(LAI)and root length density(RLD)with biochar amendment were improved by 38%and 200%,*** the grassed plot without biochar,a threshold RLD existed with a value of 1.7 cm/cm^(3),beyond which k_(s) raised *** threshold RLD increased by 52%when biochar content increased from 0%to 10%.This implies that biochar may restrict the increase in k_(s) of grassed soil due to the rise in the threshold *** presence of biochar and grass can retain over 100%higher suction after heavy rainfalls,while 54%lower peak suction under evapotranspiration(ET)compared with the non-amended *** can alleviate the negative effects on hydraulic properties caused by plant growth and reduce ET-induced excessive water loss.A 5%peanut shell biochar content is recommended for the long-term management of vegetated earthen infrastructures.

关键词： Soil-grass interaction Biochar Long-term Water infiltration Soil dry.ng

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加权加标网络的稳定与平衡

逻辑学研究 2024年第4期17卷 35-53页

作者：王轶董惠敏中山大学哲学系(珠海) 维也纳工业大学逻辑与计算研究所

经典结构平衡理论对不带权重的加标网络有较为完善的研究。Morrissette(1958)将结构平衡理论推广到加权加标网络并加以经验研究。近年来出现了基于时态逻辑CTL的结构平衡逻辑研究,但所探讨的社会网络局限于不带权重的加标网络。本文将... 详细信息

经典结构平衡理论对不带权重的加标网络有较为完善的研究。Morrissette(1958)将结构平衡理论推广到加权加标网络并加以经验研究。近年来出现了基于时态逻辑CTL的结构平衡逻辑研究,但所探讨的社会网络局限于不带权重的加标网络。本文将结构平衡逻辑推广到带权重的加标网络,引入几种适用的形式语言和语义,探讨由此得到的几个逻辑的表达能力,并给出证明系统。

关键词：加权加标网络结构平衡理论稳定性平衡性分支时间逻辑

Single-pilot operations in commercial flight:Effects on neural activity and visual behaviour under abnormalities and emergencies

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Chinese Journal of Aeronautics 2024年第8期37卷 277-292页

作者： Qinbiao LI Chun-Hsien CHEN Kam K.H.ng Xin yUAN Cho yin yIU Human Factors and Ergonomics Laboratory Department of Aeronautical and Aviation EngineeringThe Hong Kong Polytechnic UniversityHong Kong Special Administrative Region 100872China School of Mechanical&Aerospace Engineering Nanyang Technological UniversitySingapore 639798Singapore

With cutting-edge technologies and considering airline human-resource-saving,a single pilot in commercial jets could be technically *** changes in captains’natural behaviours are initially required to comprehend the specific safe human performance envelope for safeguarding single-pilot flight,particularly in high-risk *** paper investigates how captains’performance transforms for fixing emergencies when operating from Dual-Pilot Operations(DPO)to Single-Pilot Operations(SPO)through a physiological-based *** pilots flew an emergency-included flight with/without first officers’*** neural activities and scanning behaviours were recorded using a 32-channel Electroencephalogram(EEG)and glasses-based eye tracker,with the observation and post-experiment questionnaires to evaluate the flight operations and pilots’*** alone,there was a significantly increased cortical activity in h and b waves over the frontal,parietal,and temporal lobes during the more complicated emergencies,and pilots focused less on the primary flight display while spending significantly more time scanning the other *** physiological fluctuating patterns associated with risky operations in SPO were highlighted by cross-correlating multimodal *** experimental-based noteworthy insights may wish to inform commercial SPO measures to lessen the persistent physiological fluctuation,assisting airlines in creating SPO-oriented intelligent flight systems to give captains adequate support for assuring safer air transportation.

关键词： Aviation engineering Single pilot operations Behaviour changes Eye tracker Electroencephalogram

Local search yields a PTAS for fixed-dimensional k-means problem with penalties

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Journal of the Operations Research Society of China 2024年第2期12卷 351-362页

作者： Fan yuan Da-Chuan Xu dong-Lei Du dong-Mei Zhang Beijing Institute for Scientific and Engineering Computing Beijing University of TechnologyBeijing 100124China Faculty of Management University of New BrunswickFrederictonNB E3B 9Y2Canada School of Computer Science and Technology Shandong Jianzhu UniversityJinan 250101ShandongChina

We study a problem called the k-means problem with penalties(k-MPWP),which is a natural generalization of the typical k-means *** this problem,we have a set D of client points in R^(d),a set F of possible centers in R^(d),and a penalty cost Pj>O for each point j∈*** are also given an integer k which is the size of the center point *** want to find a center point set S■F with size k,choose a penalized subset of clients P■D,and assign every client in D\P to its open *** goal is to minimize the sum of the squared distances between every point in D\P to its assigned centre point and the sum of the penalty costs for all clients in *** using the multi-swap local search technique and under the fixed-dimensional Euclidean space setting,we present a polynomial-time approximation scheme(PTAS)for the k-MPWP.

关键词： Approximation algorithm k-means Local search Penalty

Prediction of fracture initiation in cohesive soils based on data mining modelling and large-scale laboratory verification

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Underground Space 2024年第6期19卷 279-300页

作者： Weiping Luo Dajun yuan yannick Choy Hing ng Dalong jin Ping Lu Teng Wang Department of Geotechnical Engineering College of Civil EngineeringTongji UniversityShanghai 200092China Key Laboratory of the Ministry of Education for Urban Underground Engineering Beijing Jiaotong UniversityBeijing 100044China Department of Civil and Environmental Engineering National University of SingaporeSingapore 119077Singapore

Many empirical and analytical methods have been proposed to predict fracturing pressure in cohesive *** of them take into account three to four specific influencing factors and rely on the assumption of a failure *** this study,a novel data-mining approach based on the XGBoost algorithm is investigated for predicting fracture initiation in cohesive *** has the advantage of handling multiple influencing factors simultaneously,without pre-determining a failure mode.A dataset of 416 samples consisting of 14 distinct features was herein collected from past studies,and used for developing a regressor and a classifier model for fracturing pressure prediction and failure mode classification *** results show that the intrinsic characteristics of the soil govern the failure mode while the fracturing pressure is more sensitive to the stress *** XGBoost-based model was also tested against conventional approaches,as well as a similar machine learning algorithm namely random forest ***,several large-scale triaxial fracturing tests and an in-situ case study were carried out to further verify the generalization ability and applicability of the proposed data mining approach,and the results indicate a superior performance of the XGBoost model.

关键词： Fracturing pressure Failure mode Cohesive soil Data-mining Large-scale tests

Low-rank matrix recovery with total generalized variation for defending adversarial examples

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Frontiers of Information Technology & Electronic Engineering 2024年第3期25卷 432-445页

作者： Wen LI Hengyou WAng Lianzhi HUO Qiang HE Linlin CHEN Zhiquan HE Wing W.y.ng School of Science Beijing University of Civil Engineering and ArchitectureBeijing 100044China School of Computer Science and Engineering South China University of TechnologyGuangzhou 510006China Aerospace Information Research Institute Chinese Academy of SciencesBeijing 100094China Guangdong Key Laboratory of Intelligent Information Processing Shenzhen 518060China Institute of Big Data Modeling and Technology Beijing University of Civil Engineering and ArchitectureBeijing 100044China

Low-rank matrix decomposition with first-order total variation(TV)regularization exhibits excellent performance in exploration of image *** advantage of its excellent performance in image denoising,we apply it to improve the robustness of deep neural ***,although TV regularization can improve the robustness of the model,it reduces the accuracy of normal samples due to its *** our work,we develop a new low-rank matrix recovery model,called LRTGV,which incorporates total generalized variation(TGV)regularization into the reweighted low-rank matrix recovery *** the proposed model,TGV is used to better reconstruct texture information without *** reweighted nuclear norm and Li-norm can enhance the global structure ***,the proposed LRTGV can destroy the structure of adversarial noise while re-enhancing the global structure and local texture of the *** solve the challenging optimal model issue,we propose an algorithm based on the alternating direction method of *** results show that the proposed algorithm has a certain defense capability against black-box attacks,and outperforms state-of-the-art low-rank matrix recovery methods in image restoration.

关键词： Total generalized variation Low-rank matrix Alternating direction method of multipliers Adversarial example

A facile method to fabricate cell-laden hydrogel microparticles of tunable sizes using thermal inkjet bioprinting

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Droplet 2024年第4期3卷 29-38页

作者： Ratima Suntornnond Wei Long ng Viktor Shkolnikov Wai yee yeong HP-NTU Digital Manufacturing Corporate Lab Nanyang Technological University(NTU)Singapore Singapore Centre for 3D Printing(SC3DP) School of Mechanical and Aerospace EngineeringNanyang Technological University(NTU)Singapore HP Inc. Palo AltoCaliforniaUSA

This study investigates the application of a drop-on-demand(DOD)thermal inkjet(TIJ)-based bioprinting system for the fabrication of cell-laden hydrogel microparticles(HMPs)with tunable *** TIJ bioprinting technique involves the formation of vapor bubbles within the print chamber through thermal energy,expelling small droplets of bio-ink onto a *** study employs a heat-treated saponified gelatin-based bio-ink,*** bio-ink is modified through methacrylic anhydride functionalization and undergoes subsequent saponification and heat treatment *** concentrations of SPAN 80 surfactant in mineral oil were evaluated to assess their influence on HMP size and *** results indicate a direct correlation,with higher SPAN 80 concentrations resulting in smaller and more stable *** study further investigates the influence of jetting volume on HMP size distribution,revealing that larger jetting volumes lead to increased HMP sizes,attributed to droplet *** is supported by our further study via a Monte Carlo simulation,which shows that the mean droplet diameter grows approximately linear with the number of dispensed *** addition,the study demonstrates the capability of the TIJ bioprinting system to achieve multimaterial encapsulation within HMPs,exemplified by staining living cells with distinct cytoplasmic membrane *** presented approach provides insights into the controlled fabrication of cell-laden HMPs,highlighting the versatility of the TIJ bioprinting system for potential applications in tissue engineering and drug delivery.

关键词： printing thermal sizes

Naked-eye visualization of lymph nodes using fluorescence nanoprobes in non-human primate-animal models

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Nano Research 2024年第8期17卷 7404-7414页

作者： Xiaoyuan ji Binbin Chu Xiaofeng Wu Zhiming Xia Airui jiang Chenyu Wang Zhiming Chen Danni Zhong Qiaolin Wei Bin Song Wanlin Li yiling Zhong Houyu Wang Fenglin dong Min Zhou yao He Suzhou Key Laboratory of Nanotechnology and Biomedicine Jiangsu Key Laboratory for Carbon-Based Functional Materials&DevicesInstitute of Functional Nano and Soft Materials(FUNSOM)Soochow UniversitySuzhou 215123China School of Public Health Shanghai Jiao Tong University School of MedicineShanghai 200025China Zhejiang University-University of Edinburgh Institute(ZJU-UoE Institute) Zhejiang UniversityHaining 314400China Department of Ultrasound the First Affiliated Hospital of Soochow UniversitySuzhou 215006China State Key Laboratory(SKL)of Biobased Transportation Fuel Technology Zhejiang UniversityHangzhou 310027China School of Pharmacy Hangzhou Normal UniversityHangzhou 311121China Macao Translational Medicine Center Macao University of Science and TechnologyTaipa 999078MacaoChina Macao Institute of Materials Science and Engineering Macao University of Science and TechnologyTaipa 999078MacaoChina

Despite sufficient studies performed in non-primate animal models,there exists scanty information obtained from pilot trials in non-human primate animal models,severely hindering nanomaterials moving from basic research into clinical *** herein present a pioneering demonstration of nanomaterials based optical imaging-guided surgical operation by using macaques as a typical kind of non-human primate-animal ***,taking advantages of strong and stable fluorescence of the small-sized(diameter:~5 nm)silicon-based nanoparticles(SiNPs),lymphatic drainage patterns can be vividly visualized in a real-time manner,and lymph nodes(LN)are able to be sensitively detected and precisely excised from small animal models(e.g.,rats and rabbits)to non-human primate animal models(e.g.,cynomolgus macaque(Macaca fascicularis)and rhesus macaque(Macaca mulatta)).Compared to clinically used invisible near-infrared(NIR)lymphatic tracers(i.e.,indocyanine green(ICG);etc.),we fully indicate that the SiNPs feature unique advantages for naked-eye visible fluorescence-guided surgical operation in long-term *** toxicological analysis in macaque models further provides confirming evidence of favorable biocompatibility of the SiNPs *** expect that our findings would facilitate the translation of nanomaterials from the laboratory to the clinic,especially in the field of cancer treatment.

关键词： fluorescent silicon nanoparticles lymph node real-time naked-eye visualization macaque models