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| 1 | Machine learning in materials informatics:recent applications and prospects显示文摘Propelled partly by the Materials Genome Initiative,and partly by the algorithmic developments and the resounding successes of data-driven efforts in other domains,informatics strategies are beginning to take shape within materials science.These approaches lead to surrogate machine learning models that enable rapid predictions based purely on past data rather than by direct experimentation or by computations/simulations in which fundamental equations are explicitly solved.Data-centric informatics methods are becoming useful to determine material properties that are hard to measure or compute using traditional methods—due to the cost,time or effort involved—but for which reliable data either already exists or can be generated for at least a subset of the critical cases.Predictions are typically interpolative,involving fingerprinting a material numerically first,and then following a mapping(established via a learning algorithm)between the fingerprint and the property of interest.Fingerprints,also referred to as“descriptors”,may be of many types and scales,as dictated by the application domain and needs.Predictions may also be extrapolative—extending into new materials spaces—provided prediction uncertainties are properly taken into account.This article attempts to provide an overview of some of the recent successful data-driven“materials informatics”strategies undertaken in the last decade,with particular emphasis on the fingerprint or descriptor choices.The review also identifies some challenges the community is facing and those that should be overcome in the near future. | Rampi Ramprasad Rohit Batra Ghanshyam Pilania Arun Mannodi-Kanakkithodi Chiho Kim | 2017 | npj Computational Materials2017，，1： | 40 |
| 2 | Solving the electronic structure problem with machine learning显示文摘Simulations based on solving the Kohn-Sham(KS)equation of density functional theory(DFT)have become a vital component of modern materials and chemical sciences research and development portfolios.Despite its versatility,routine DFT calculations are usually limited to a few hundred atoms due to the computational bottleneck posed by the KS equation.Here we introduce a machine-learning-based scheme to efficiently assimilate the function of the KS equation,and by-pass it to directly,rapidly,and accurately predict the electronic structure of a material or a molecule,given just its atomic configuration.A new rotationally invariant representation is utilized to map the atomic environment around a grid-point to the electron density and local density of states at that grid-point.This mapping is learned using a neural network trained on previously generated reference DFT results at millions of grid-points.The proposed paradigm allows for the high-fidelity emulation of KS DFT,but orders of magnitude faster than the direct solution.Moreover,the machine learning prediction scheme is strictly linear-scaling with system size. | Anand Chandrasekaran Deepak Kamal Rohit Batra Chiho Kim Lihua Chen Rampi Ramprasad | 2019 | npj Computational Materials2019，，1： | 10 |
| 3 | Apparent diffusion coefficient in cervical cancer of the uterus: comparison with the normal uterine cervix显示文摘 | Shinji Naganawa Chiho Sato Hisashi Kumada Takeo Ishigaki Shunichi Miura Osamu Takizawa | 2005 | European Radiology2005，，1： | 4 |
| 4 | Significance of hyperuricemia as a risk factor for developing ESRD in a screened cohort显示文摘 | Kunitoshi Iseki Yoshiharu Ikemiya Taku Inoue Chiho Iseki Kozen Kinjo Shuichi Takishita | 2004 | American Journal of Kidney Diseases2004，，4： | 4 |
| 5 | Influence of contamination on banded iron formations in the Isua supracrustal belt, West Greenland: Reevaluation of the Eoarchean seawater compositions显示文摘Banded Iron Formations(BIFs) are chemical sediments, ubiquitously distributed in the Precambrian supracrustal belts; thus their trace element compositions are helpful for deciphering geochemical evolution on the Earth through time. However, it is necessary to elucidate factors controlling the whole-rock compositions in order to decode the ancient seawater compositions because their compositions are highly variable. We analyzed major and trace element contents of the BIFs in the 3.8-3.7 Ga Isua supracrustal belt(ISB), southern West Greenland. The BIFs are petrographically classified into four types:Black-,Gray-, Green-and White-types, respectively. The Green-type BIFs contain more amphiboles, and are significantly enriched in Co, Ni, Cu, Zn, Y, heavy rare earth element(HREE) and U contents. However,their bulk compositions are not suitable for estimate of seawater composition because the enrichment was caused by secondary mobility of metamorphic Mg, Ca and Si-rich fluid, involvement of carbonate minerals and silicate minerals of olivine and pyroxene and/or later silicification or contamination of volcanic and clastic materials. The White-type BIFs are predominant in quartz, and have lower transition element and REE contents. The Gray-type BIFs contain both quartz and magnetite. The Black-type BIFs are dominated by magnetite, and contain moderate to high transition element and REE contents. But,positive correlations of V, Ni, Zn and U contents with Zr contents suggest that involvement of detrital,volcanic and exhalative materials influences on their contents. The evidence for significant influence of the materials on the transition element contents such as Ni in the BIFs indicates the transition element contents in the Archean ocean were much lower than previously estimated. We reconstructed secular variations of V,Co, Zn and U contents of BIFs through time, which show Ni and Co contents decreased whereas V, Zn and U contents increased through time. Especially, the Ni and Co contents drastically decreased in the Mesoarchean rather than around the Great Oxidation Event. On the other hand, the V,Zn and U contents progressively increased from the Mesoarchean to the Proterozoic. Stratigraphical trends of the BIFs show increase in Y/Ho ratios and decrease in positive Eu anomaly upwards, respectively. The stratigraphic changes indicate that a ratio of hydrothermal fluid to seawater component gradually decrease through the deposition, and support the Eoarchean plate tectonics, analogous to the their stratigraphic variations of seafloor metalliferous sediments at present and in the Mesoarchean. | Shogo Aoki Chiho Kabashima Yasuhiro Kato Takafumi Hirata Tsuyoshi Komiya | 2018 | Geoscience Frontiers2018，9，4： | 2 |
| 6 | Hypoxia upregulates ovarian cancer invasiveness via the binding of HIF‐1α to a hypoxia‐induced, methylation‐free hypoxia response element of S100A4 gene显示文摘 | Akiko Horiuchi Takuma Hayashi Norihiko Kikuchi Akiko Hayashi Chiho Fuseya Tanri Shiozawa Ikuo Konishi | 2012 | Cancer2012，，8： | 2 |
| 7 | Blood Pressure Predicts Risk of Developing End-Stage Renal Disease in Men and Women显示文摘 | Masahiko Tozawa Kunitoshi Iseki Chiho Iseki Kozen Kinjo Yoshiharu Ikemiya Shuichi Takishita | 2003 | Hypertension: Journal of the American Heart Association2003，，6： | 2 |
| 8 | Effect of eplerenone versus spironolactone on cortisol and hemoglobin A 1c levels in patients with chronic heart failure显示文摘 | Masayuki Yamaji Takayoshi Tsutamoto Chiho Kawahara Keizo Nishiyama Takashi Yamamoto Masanori Fujii Minoru Horie | 2010 | American Heart Journal2010，，5： | 2 |
| 9 | Frequency-dependent dielectric constant prediction of polymers using machine learning显示文摘The dielectric constant(ϵ)is a critical parameter utilized in the design of polymeric dielectrics for energy storage capacitors,microelectronic devices,and high-voltage insulations.However,agile discovery of polymer dielectrics with desirableϵremains a challenge,especially for high-energy,high-temperature applications.To aid accelerated polymer dielectrics discovery,we have developed a machine-learning(ML)-based model to instantly and accurately predict the frequency-dependentϵof polymers with the frequency range spanning 15 orders of magnitude.Our model is trained using a dataset of 1210 experimentally measuredϵvalues at different frequencies,an advanced polymer fingerprinting scheme and the Gaussian process regression algorithm. | Lihua Chen Chiho Kim Rohit Batra Jordan P.Lightstone Chao Wu Zongze Li Ajinkya A.Deshmukh Yifei Wang Huan D.Tran Priya Vashishta Gregory A.Sotzing Yang Cao Rampi Ramprasad | 2020 | npj Computational Materials2020，，1： | 2 |
| 10 | Carcinosarcoma of the gallbladder with chondroid differentiation显示文摘 | Tetsuo Ajiki Takeshi Nakamura Yasuhiro Fujino Yasuyuki Suzuki Yoshifumi Takeyama Yonson Ku Yoshikazu Kuroda Chiho Ohbayashi | 2002 | Journal of Gastroenterology2002，，11： | 1 |
| 11 | Blood pressure predicts risk of developing end-stage renal disease in men and women 显示文摘 | Masahiko T Kunitoshi I Chiho I | 2003 | Hyperten- sion2003，41，： | 1 |
| 12 | Fabric defect detection by Fourier analysis显示文摘 | Chan Chiho Pang G | 1999 | Proc IEEE1999，3，： | 1 |
| 13 | Association between selenium nutritional status and metabolic risk factors in men with visceral obesity显示文摘 | Mutakin Anna Meiliana Andi Wijaya Kenji Kobayashi Chiho Yamazaki Satomi Kameo Minato Nakazawa Hiroshi Koyama | 2012 | Journal of Trace Elements in Medicine and Biology2012，，： | 1 |
| 14 | Performance of Follower Noise Jammers Considering Practical Tracking Parameters 显示文摘 | Chiho Lee Unseob Jeong | 2006 | IEEE Transactions on Communications2006，，6： | 1 |
| 15 | Transthoracic CT-guided biopsy with multiplanar reconstruction image improves diagnostic accuracy of solitary pulmonary nodules显示文摘 | Yoshiharu Ohno Hiroto Hatabu Daisuke Takenaka Masatake Imai Chiho Ohbayashi Kazuro Sugimura | 2003 | European Journal of Radiology2003，，2： | 1 |
| 16 | High-level secretory production of phospholipase A1 by saccharomyces cerevisiae and aspergillus oryzae显示文摘 | Yoichiro S Chiho O Fumio F | | 0，，01： | 1 |
| 17 | Apparent diffusion coefficient in cervical cancer of the uterus: comparison with the normal uterine cervix显示文摘 | Shinji Naganawa Chiho Sato Hisashi Kumada Takeo Ishigaki Shunichi Miura Osamu Takizawa | 2005 | European Radiology2005，，1： | 1 |
| 18 | Pandemic spread of an O3:K6clone of Vibrio parahaemolyticus and emergence of related strains evidenced by arbiitrarily primed PCR and toxRS sequence analyses显示文摘 | Jun Okuda Masanori Ishibashi | 2000 | Journal of Clinical Microbiology2000，38，： | 1 |
| 19 | Involvement of calpain isoforms in ischemia-reperfusion injury in rat retina显示文摘 | Yuji S Takeshi N Chiho F | 2000 | Curr Eye Res2000，21，： | 1 |
| 20 | Involvement of calpain in hypoxiainduced damage in rat retina in vitro显示文摘 | Yoshiyuki T Chiho F Sayaka D | 2002 | Comparat Biochen Physiol Part B2002，131，： | 1 |
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