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| 1 | Active learning in materials science with emphasis on adaptive sampling using uncertainties for targeted design显示文摘One of the main challenges in materials discovery is efficiently exploring the vast search space for targeted properties as approaches that rely on trial-and-error are impractical.We review how methods from the information sciences enable us to accelerate the search and discovery of new materials.In particular,active learning allows us to effectively navigate the search space iteratively to identify promising candidates for guiding experiments and computations.The approach relies on the use of uncertainties and making predictions from a surrogate model together with a utility function that prioritizes the decision making process on unexplored data.We discuss several utility functions and demonstrate their use in materials science applications,impacting both experimental and computational research.We summarize by indicating generalizations to multiple properties and multifidelity data,and identify challenges,future directions and opportunities in the emerging field of materials informatics. | Turab Lookman Prasanna V.Balachandran Dezhen Xue Ruihao Yuan | 2019 | npj Computational Materials2019，，1： | 28 |
| 2 | Developing an interatomic potential for martensitic phase transformations in zirconium by machine learning显示文摘Atomic simulations provide an effective means to understand the underlying physics of structural phase transformations.However,this remains a challenge for certain allotropic metals due to the failure of classical interatomic potentials to represent the multitude of bonding.Based on machine-learning(ML)techniques,we develop a hybrid method in which interatomic potentials describing martensitic transformations can be learned with a high degree of fidelity from ab initio molecular dynamics simulations(AIMD).Using zirconium as a model system,for which an adequate semiempirical potential describing the phase transformation process is lacking,we demonstrate the feasibility and effectiveness of our approach.Specifically,the ML-AIMD interatomic potential correctly captures the energetics and structural transformation properties of zirconium as compared to experimental and density-functional data for phonons,elastic constants,as well as stacking fault energies.Molecular dynamics simulations successfully reproduce the transformation mechanisms and reasonably map out the pressure–temperature phase diagram of zirconium. | Hongxiang Zong Ghanshyam Pilania Xiangdong Ding Graeme J.Ackland Turab Lookman | 2018 | npj Computational Materials2018，，1： | 7 |
| 3 | Automated pipeline for superalloy data by text mining显示文摘Data provides a foundation for machine learning,which has accelerated data-driven materials design.The scientific literature contains a large amount of high-quality,reliable data,and automatically extracting data from the literature continues to be a challenge.We propose a natural language processing pipeline to capture both chemical composition and property data that allows analysis and prediction of superalloys.Within 3 h,2531 records with both composition and property are extracted from 14,425 articles,coveringγ′solvus temperature,density,solidus,and liquidus temperatures.A data-driven model forγ′solvus temperature is built to predict unexplored Co-based superalloys with highγ′solvus temperatures within a relative error of 0.81%.We test the predictions via synthesis and characterization of three alloys.A web-based toolkit as an online open-source platform is provided and expected to serve as the basis for a general method to search for targeted materials using data extracted from the literature. | Weiren Wang Xue Jiang Shaohan Tian Pei Liu Depeng Dang Yanjing Su Turab Lookman Jianxin Xie | 2022 | npj Computational Materials2022，，1： | 2 |
| 4 | Phylogenetic analysis of human metapneumovirus detected in hospitalized patients in Kuwait during the years 2009-2011显示文摘 | AL Turab M Chehadeh W AL Nakib W | 2015 | J Infect Public Health2015，8，5： | 1 |
| 5 | A comparison between wireless LAN security protocols 显示文摘 | TURAB N MOLDOVE F | 2009 | Eleetrieal Engineering and Computer Science2009，71，1： | 1 |
| 6 | Stapled hemorrhoidopexy:The Aga Khan University Hospital experience显示文摘 | Athar A Chawla T Turab P | | 0，，03： | 1 |
| 7 | Stapled hemorrhoidopexy:The AgaKhan University Hospital experience显示文摘 | Athar A Chawla T Turab P | 2009 | Saudi J Gastroenterol2009，15，3： | 1 |
| 8 | Improved stability of superelasticity and elastocaloric effect in Ti-Ni alloys by suppressing Lüders-like deformation under tensile load显示文摘Functional stability of superelasticity is crucial for practical applications of shape memory alloys.It is degraded by a Lüders-like deformation with elevated local stress concentration under tensile load.By increasing the degree of solute supersaturation and applying appropriate thermomechanical treatments,a Ti-Ni alloy with nanocrystallinity and dispersed nanoprecipitates is obtained.In contrast to conventional Ti-Ni alloys,the superelasticity in the target alloy is accompanied by homogeneous deformation due to the sluggish stress-induced martensitic transformation.The alloy thus shows a fully recoverable strain of 6%under tensile stress over 1 GPa and a large adiabatic temperature decrease of 13.1 K under tensile strain of 4.5%at room temperature.Moreover,both superelasticity and elastocaloric effect exhibit negligible degradation in response to applied strain of 4%during cycling.We attribute the improved functional stability to low dislocation activity resulting from the suppression of localized deformation and the combined strengthening effect of nanocrystalline structure and nanoprecipitates.Thus,the design of such a microstructure enabling homogeneous deformation provides a recipe for stable superelasticity and elastocaloric effect. | Pengfei Dang Jianbo Pang Yumei Zhou Lei Ding Lei Zhang Xiangdong Ding Turab Lookman Jun Sun Dezhen Xue | 2023 | Journal of Materials Science & Technology2023，，15： | 1 |
| 9 | Identification of transcriptionally active open reading frames within the RD1 genomic segment of Mycobacterium tuberculosis 显示文摘 | Amoudy H A A1 Turab M B Mustafa A S | 2006 | Med Princ Pract2006，15，2： | 1 |
| 10 | Midventricular Takotsubo syndrome显示文摘A 78-year-old woman with a background of type 2 diabetes mellitus,hyperlipidaemia and hypertension experienced sudden onset severe chest pain while in the emergency department,after a stressful emotional event.The pain lasted for 20-30 min and the patient developed widespread T-wave inversion on 12-lead ECG. | Konstantinos C Theodoropoulos Ioannis Felekos Chris Abell Nicholas D Palmer Turab Ali | 2020 | Journal of Geriatric Cardiology2020，17，5： | 1 |
| 11 | Stapled hemorrhoidopexy: The Aga Khan University Hospital experience 显示文摘 | Athar A Chawla T Turab P | 2009 | Saudi J Gastroenterol2009，5，3： | 1 |
| 12 | Efficient sampling for decision making in materials discovery显示文摘Accelerating materials discovery crucially relies on strategies that efficiently sample the search space to label a pool of unlabeled data.This is important if the available labeled data sets are relatively small compared to the unlabeled data pool.Active learning with efficient sampling methods provides the means to guide the decision making to minimize the number of experiments or iterations required to find targeted properties.We review here different sampling strategies and show how they are utilized within an active learning loop in materials science. | 田原 Turab Lookman 薛德祯 | 2021 | Chinese Physics B2021，30，5： | 1 |
| 13 | Practicability of dataspace systems显示文摘 | TURAB MIRZA H CHEN Ling CHEN Gencai | 2010 | International journal of digital content technology and its applications2010，4，3： | 1 |
| 14 | 用于材料探索与设计的信息科学显示文摘材料是人类生存不可或缺的一部分,人类一直在寻找新材料道路上进行着不断地探索,也取得了很多重要的研究成果,这些重要的成果推动着人类文明的进步。为了获得所需功能的材料,人们需要进行大量的科学实验论证。因此,有必要找到一种行之有效的方法优化实验设计,从而降低实验的复杂性,减少实验次数,提高材料探索和设计的效率。本书就主要介绍了可以高效地进行材料探索和设计的方法。书中提到,可以用与人类基因组计划相似的方法来加速材料的探索,这种方法依赖于材料科学的大数据库、计算以及数学能力。 | Turab Lookman 王兆刚 | 2016 | 国外科技新书评介2016，0，12： | 0 |
| 15 | The charge state distribution of B, C, Si, Ni, Cu and Au ions on 5 MV pelletron accelerator显示文摘Stripper gas and terminal potential play a key role for the charge state distribution in a tandem pelletron accelerator. The knowledge of this distribution is important for experiments performed on tandem accelerators. The charge state distribution of B, C, Si, Ni, Cu and Au beams is measured by using Ar as stripper gas, and terminal potential is varied from 0.3 to 3.0 MV on 5UDH-2 tandem pelletron accelerator installed at the National Centre for Physics, Islamabad. The individual charge state is measured after the switching magnet at 15° in high-energy portion. It is observed that the higher charge states are stable in the range of lower and middle atomic masses of periodic table, whereas higher atomic mass(Au) shows beam current instability in higher charge states. For carbon,the charge distribution at 1.7 MV terminal potential by varying stripper gas pressure is also studied, which resulted in decreased overall transmission with good current value for higher charge states. | Ali Awais Javaid Hussain Muhammad Usman Waheed Akram Kashif Shahzad Turab Ali Ishaq Ahmad Malik Maaza | 2017 | Nuclear Science and Techniques2017，28，5： | 0 |
| 16 | Machine learning assisted prediction of dielectric temperature spectrum of ferroelectrics显示文摘In material science and engineering,obtaining a spectrum from a measurement is often time-consuming and its accurate prediction using data mining can also be difficult.In this work,we propose a machine learning strategy based on a deep neural network model to accurately predict the dielectric temperature spectrum for a typical multi-component ferroelectric system,i.e.,(Ba_(1−x−y)Ca_(x)Sr_(y))(Ti_(1−u−v−w)Zr_(u)Sn_(v)Hf_(w))O_(3).The deep neural network model uses physical features as inputs and directly outputs the full spectrum,in addition to yielding the octahedral factor,Matyonov–Batsanov electronegativity,ratio of valence electron to nuclear charge,and core electron distance(Schubert)as four key descriptors.Owing to the physically meaningful features,our model exhibits better performance and generalization ability in the broader composition space of BaTiO3-based solid solutions.And the prediction accuracy is superior to traditional machine learning models that predict dielectric permittivity values at each temperature.Furthermore,the transition temperature and the degree of dispersion of the ferroelectric phase transition are easily extracted from the predicted spectra to provide richer physical information.The prediction is also experimentally validated by typical samples of(Ba_(0.85)Ca_(0.15))(Ti_(0.98–x)Zr_(x)Hf_(0.02))O_(3).This work provides insights for accelerating spectra predictions and extracting ferroelectric phase transition information. | Jingjin He Changxin Wang Junjie Li Chuanbao Liu Dezhen Xue Jiangli Cao Yanjing Su Lijie Qiao Turab Lookman Yang Bai | 2023 | Journal of Advanced Ceramics2023，12，9： | 0 |
| 17 | Symbolic regression in materials science via dimension-synchronous-computation显示文摘There is growing interest in applying machine learning techniques in the field of materials science.However,the interpretation and knowledge extracted from machine learning models is a major concern,particularly as formulating an explicit model that provides insight into physics is the goal of learning.In the present study,we propose a framework that utilizes the filtering ability of feature engineering,in conjunction with symbolic regression to extract explicit,quantitative expressions for the band gap energy from materials data.We propose enhancements to genetic programming with dimensional consistency and artificial constraints to improve the search efficiency of symbolic regression.We show how two descriptors attributed to volumetric and electronic factors,from 32 possible candidates,explicitly express the band gap energy of Na Cl-type compounds.Our approach provides a basis to capture underlying physical relationships between materials descriptors and target properties. | Changxin Wang Yan Zhang Cheng Wen Mingli Yang Turab Lookman Yanjing Su Tong-Yi Zhang | 2022 | Journal of Materials Science & Technology2022，，27： | 0 |
| 18 | Current Progress of Phytomedicine in Glioblastoma Therapy显示文摘Glioblastoma multiforme,an intrusive brain cancer,has the lowest survival rate of all brain cancers.The chemotherapy utilized to prevent their proliferation and propagation is limited due to modulation of complex cancer signalling pathways.These complex pathways provide infiltrative and drug evading properties leading to the development of chemotherapy resistance.Therefore,the development and discovery of such interventions or therapies that can bypass all these resistive barriers to ameliorate glioma prognosis and survival is of profound importance.Medicinal plants are comprised of an exorbitant range of phytochemicals that have the broad-spectrum capability to target intrusive brain cancers,modulate anti-cancer pathways and immunological responses to facilitate their eradication,and induce apoptosis.These phytocompounds also interfere with several oncogenic proteins that promote cancer invasiveness and metastasis,chemotherapy resistance and angiogenesis.These plants are extremely vital for promising anti-glioma therapy to avert glioma proliferation and recurrence.In this review,we acquired recent literature on medicinal plants whose extracts/bioactive ingredients are newly exploited in glioma therapeutics,and also highlighted their mode of action and pharmacological profile. | Fahad Hassan Shah Saad Salman Jawaria Idrees Fariha Idrees Syed Turab Ali Shah Abid Ali Khan Bashir Ahmad | 2020 | Current Medical Science2020，40，6： | 0 |
| 19 | Intraosseous device for arthrodesis in foot and ankle surgery: Review of the literature and biomechanical properties显示文摘BACKGROUND Arthrodesis is the surgical fusion of a diseased joint for the purposes of obtaining pain relief and stability.There have been numerous fixation devices described in literature for foot and ankle arthrodesis,each with their own benefits and drawbacks.AIM To review the use of intraosseous devices in foot and ankle surgery.METHODS There were 9 papers included in the review(6 clinical and 3 experimental studies)all evaluating arthrodesis in the foot and ankle using the IOFIX device(Extremity Medical™,Parsippany,NJ,United States).Outcome scores,union rates,as well as complications were analysed.RESULTS IOFIX appears to be safe and effective in achieving arthrodesis of the 1st metatarsophalangeal,and talonavicular joints with early rehabilitation.In comparison to plate/screw constructs there were fewer soft tissue complications and issues of metalwork prominence.Cadaveric and biomechanical studies on the use of intramedullary fixation for fusion of the tarsometatarsal and ankle joint showed decreased load to failure,cycles to failure and stiffness in comparison to traditional fusion methods using plates and screws,however IOFIX devices produced higher compressive forces at the joint.CONCLUSION We describe the reasons for which this biomechanical behavior of the intraosseous fixation may be favorable,until prospective and comparative studies with largersample size and longer follow-up confirm the effectiveness and limitations of the method. | Biju Benjamin Paul Ryan Yulia Chechelnitskaya Levent Bayam Turab Syed Efstathios Drampalos | 2021 | World Journal of Orthopedics2021，12，12： | 0 |
| 20 | Alloy synthesis and processing by semi-supervised text mining显示文摘Alloy synthesis and processing determine the design of alloys with desired microstructure and properties.However,using data science to identify optimal synthesis-design routes from a specified set of starting materials has been limited by large-scale data acquisition.Text mining has made it possible to convert scientific text into structured data collections.Still,the complexity,diversity,and flexibility of synthesis and processing expressions,and the lack of annotated corpora with a gold standard severely hinder accurate and efficient extraction.Here we introduce a semi-supervised text mining method to extract the parameters corresponding to the sequence of actions of synthesis and processing.We automatically extract a total of 9853 superalloy synthesis and processing actions with chemical compositions from a corpus of 16,604 superalloy articles published up to 2022.These have then been used to capture an explicitly expressed synthesis factor for predictingγ′phase coarsening.The synthesis factor derived from text mining significantly improves the performance of the data-drivenγ′size prediction model.The method thus complements the use of data-driven approaches in the search for relationships between synthesis and structures. | Weiren Wang Xue Jiang Shaohan Tian Pei Liu Turab Lookman Yanjing Su Jianxin Xie | 2023 | npj Computational Materials2023，，1： | 0 |
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