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Analyzing machine learning models to accelerate generation of fundamental materials insights

npj Computational Materials 2019年第1期5卷 858-866页

作者： Mitsutaro Umehara Helge S.Stein Dan Guevarra Paul f.Newhouse David A.Boyd john M.Gregoire Joint Center for Artificial Photosynthesis California Institute of TechnologyPasadenaCA 91125USA future Mobility Research Department Toyota Research Institute of North AmericaAnn ArborMI 48105USA

Machine learning for materials science envisions the acceleration of basic science research through automated identification of key data relationships to augment human interpretation and gain scientific understanding.A primary role of scientists is extraction of fundamental knowledge from data,and we demonstrate that this extraction can be accelerated using neural networks via analysis of the trained data model itself rather than its application as a prediction *** neural networks excel at modeling complex data relationships in multi-dimensional parameter spaces,such as that mapped by a combinatorial materials science *** a performance metric in a given materials space provides direct information about(locally)optimal materials but not the underlying materials science that gives rise to the variation in *** building a model that predicts performance(in this case photoelectrochemical power generation of a solar fuels photoanode)from materials parameters(in this case composition and Raman signal),subsequent analysis of gradients in the trained model reveals key data relationships that are not readily identified by human inspection or traditional statistical *** interpretation of these key relationships produces the desired fundamental understanding,demonstrating a framework in which machine learning accelerates data interpretation by leveraging the expertize of the human *** also demonstrate the use of neural network gradient analysis to automate prediction of the directions in parameter space,such as the addition of specific alloying elements,that may increase performance by moving beyond the confines of existing data.

关键词： neural prediction desired

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The effect of social context and social scale on the perception of relationships in monk parakeets

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Current Zoology 2015年第1期61卷 55-69页

作者： Elizabeth A. HOBSON Darlene J. john Tiffany L. MCINTOSH Michael L. AVERY Timothy f. WRIGHT National Institute for Mathematical and Biological Synthesis University of Tennessee Knoxville TN 37996-3410 USA Department of Biology New Mexico State University Las Cruces NM 88003USA USDA Wildlife Services National Wildlife Research Center Gainesville FL 32641USA

Social relationships formed within a network of interacting group members can have a profound impact on an indi- vidual＇s behavior and fitness. However, we have little understanding of how individuals perceive their relationships and how this perception relates to our external measures of interactions. We investigated the perception of affiliative and agonistic relation- ships at both the dyadic and emergent social levels in two captive groups of monk parakeets （Myiopsitta monachus, n = 21 and 19） using social network analysis and playback experiments. At the dyadic social scale, individuals directed less aggression to- wards their strong affiliative partners and more aggression towards non-partner *** the emergent social scale, there was no association between relationships in different social contexts and an individual＇s dominance rank did not correlate with its popularity rank. Playback response pattems were mainly driven by relationships in affiliative social contexts at the dyadic scale. In both groups, individual responses to playback experiments were significantly affected by strong affiliative relationships at the dyadic social scale, albeit in different directions in the two groups. Response pattems were also affected by affiliative relation- ships at the emergent social scale, but only in one of the two groups. Within affiliative relationships, those at the dyadic social scale were perceived by individuals in both groups, but those at the emergent social scale only affected responses in one group. These results provide preliminary evidence that relationships in affiliative social contexts may be perceived as more important than agonistic relationships in captive monk parakeet groups. Our approach could be used in a wide range of social species and comparative analyses could provide important insight into how individuals perceive relationships across social contexts and social scales [Current Zoology 61 （1）： 55-69, 2015].

关键词： Affiliative Agonistic Dominance Eigenvector centrality Emergent social property Myiopsitta monachus Parrot Popularity Rank Social network analysis

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National trends in resection of the distal pancreas

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World Journal of Gastroenterology 2012年第32期18卷 4342-4349页

作者： Armando Rosales-Velderrain Steven P Bowers Ross f Goldberg Tatyan M Clarke Mauricia A Buchanan john A Stauffer Horacio J Asbun Department of General Surgery Mayo Clinic FloridaJacksonvilleFL 32225United States

AIM:To investigate national trends in distal pancreatectomy(DP) through query of three national patient care ***:from the Nationwide Inpatient Sample(NIS,2003-2009),the National Surgical Quality Improvement Project(NSQIP,2005-2010),and the Surveillance Epidemiology and End Results(SEER,2003-2009) databases using appropriate diagnostic and procedural codes we identified all patients with a diagnosis of a benign or malignant lesion of the body and/or tail of the pancreas that had undergone a partial or distal *** of laparoscopy was defined in NIS by the International Classification of Diseases,Ninth Revision correspondent procedure code;and in NSQIP by the exploratory laparoscopy or unlisted procedure current procedural terminology *** SEER,patients were identified by the International Classification of Diseases for Oncology,Third Edition diagnosis codes and the SEER Program Code Manual,third edition procedure *** analyzed the databases with respect to trends of inpatient outcome metrics,oncologic outcomes,and hospital volumes in patients with lesions of the neck and body of the pancreas that underwent operative ***:NIS,NSQIP and SEER identified 4242,2681 and 11 082 DP resections,***,laparoscopy was utilized in 15%(NIS) and 27%(NSQIP).No significant increase was seen over the course of the *** was performed for malignancy in 59%(NIS) and 66%(NSQIP).Neither patient Body mass index nor comorbidities were associated with operative approach(P = 0.95 and P = 0.96,respectively).Mortality(3% vs 2%,P = 0.05) and reoperation(4% vs 4%,P = 1.0) was not different between laparoscopy and open *** complications(10% vs 15%,P f stay(7 d,IQR 4-11 d vs 7 d,IQR 6-10,P < 0.001) were less when laparoscopy was *** and two year sur

关键词： Laparoscopic distal pancreatectomy Trends Nationwide Inpatient Sample National Surgical Quality Improvement Project Surveillance epidemiology and end results

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Degradation Diagnostics from the Subsurface of Lithium-Ion Battery Electrodes

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Energy & Environmental Materials 2022年第2期5卷 662-669页

作者： Xuhui Yao Tomas Samoril JiriDluhos john f.Watts Zhijia Du Bohang Song SRavi P.Silva Tan Sui Yunlong Zhao Advanced Technology Institute University of SurreyGuildford Surrey GU27XHUK TESCAN ORSAY HOLDING a.s.Libusina tr.21Brno 62300Czech Republic Department of Mechanical Engineering Sciences University of SurreyGuildford Surrey GU27XHUK Energy and Transportation Science Division Oak Ridge National LaboratoryOak Ridge TN 37830USA Neutron Scattering Division Oak Ridge National LaboratoryOak Ridge TN 37830USA National Physical Laboratory Teddington Middlesex TW110LWUK

Despite the long-established rocking-chair theory of lithium-ion batteries(LIBs),developing novel characterization methodology with higher spatiotemporal resolution facilitates a better understanding of the solid electrolyte interphase studies to shape the reaction *** this work,we develop a Xenon ion plasma focused ion beam(Xe+PfIB)-based characterization technique to probe the cross-sectional interface of both ternary cathode and graphite anode electrodes,with the focus on revealing the chemical composition and distribution underneath the electrode surface by in-depth analysis of secondary ***,the lithium fluoride is detected in the pristine cathode prior to contact with the electrolyte,reflecting that the electrode degradation is in the form of the loss of lithium inventory during electrode *** degradation is related to the hydrolysis of the cathode material and the decomposition of the PVDf *** the quantitative analysis of the transition-metal degradation products,manganese is found to be the dominant element in the newly formed inactive fluoride deposition on the cathode,while no transition metal signal can be found inside the anode *** insights at high resolution implemented via a PfIB-based characterization technique not only enrich the understanding of the degradation mechanism in the LIBs but also identify and enable a high-sensitivity methodology to obtain the chemical survey at the subsurface,which will help remove the capacity-fade observed in most LIBs.

关键词： degradation lithium-ion battery mass spectrometry plasma focused ion beam subsurface

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Obesity is associated with decreased risk of microscopic colitis in women

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World Journal of Gastroenterology 2022年第2期28卷 230-241页

作者： Robert S Sandler Temitope O Keku john T Woosley Dale P Sandler Joseph A Galanko Anne f Peery Department of Medicine University of North CarolinaChapel HillNC 27514-7555United States Department of Medicine University of North CarolinaChapel HillNC 27514-7555United States Department of PathologyUniversity of North CarolinaChapel HillNC 27514United States Department of Health and Human Services National Institute of Environmental Health SciencesDurhamNC 27709United States

BACKGROUND Microscopic colitis is a leading cause of diarrhea in the older *** is limited information about risk *** hypothesized that obesity would be associated with microscopic *** To examine the association between obesity and microscopic colitis in men and women undergoing *** We conducted a case-control study at the University of North Carolina *** identified and enrolled men and women referred for elective,outpatient colonoscopy for chronic *** excluded patients with a past diagnosis of Crohn’s disease or ulcerative colitis.A research pathologist reviewed biopsies on every patient and classified them as microscopic colitis cases or non-microscopic colitis *** provided information on body weight,height and exposure to medications via structured interviews or Internet based *** analysis included 110 patients with microscopic colitis(cases)and 252 nonmicroscopic colitis *** analyses were performed using logistic regression to estimate odds ratios and 95%confidence *** Cases were older and more likely than controls to be white *** subjects were well educated,but cases were better educated than *** with microscopic colitis had lower body mass index than controls and reported more weight loss after the onset of *** to patients who were normal or under-weight,obese(BMI>30 kg/m2)patients were substantially less likely to have microscopic colitis after adjusting for age and education,adjusted OR(aOR)0.35,95%confidence interval(CI)0.18-0.66).When stratified by sex,the association was limited to obese women,aOR 0.21,95%CI:*** with microscopic colitis were more likely to report weight loss after the onset of *** stratifying by weight loss,there remained a strong inverse association between obesity and microscopic colitis,aOR 0.33,95%CI:0.10-1.11 among the patients who did not lose *** use of birth

关键词： Colitis Microscopic/epidemiology Humans Diarrhea/epidemiology Obesity

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Ecosystem classification and inventory maps as surrogates for ground beetle assemblages in boreal forest

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Journal of Plant Ecology 2012年第1期5卷 97-108页

作者： J.A.Colin Bergeron f.Guillaume Blanchet john R.Spence W.Jan A.Volney Department of Renewable Resources University of Alberta751 General Services BuildingEdmontonAlbertaCanada T6G 2H1 Natural Resources Canada Northern Forestry Centre5320122 Street NorthwestEdmontonAlbertaCanada T6H 3S5

Aims We compare performance of ecosystem classification maps and provincial forest inventory data derived from air photography in reflecting ground beetle(Coleoptera:Carabidae)biodiversity patterns that are related to the forest canopy *** biodiversity surrogacy model based on remotely sensed tree canopy cover is validated against field-collected ground *** We used a systematic sampling grid of 198 sites,covering 84 km^(2) of boreal mixedwood forest in northwestern Alberta,*** every site,we determined tree basal area,characterized the ground beetle assemblage and obtained corresponding provincial forest inventory and ecosystem classification *** used variation partitioning,ordination and misclassification matrices to compare beetle biodiversity patterns explained by alternative databases and to determine model biases originating from air *** findings Ecosystem classification data performed better than canopy cover derived from forest inventory maps in describing ground beetle biodiversity *** biodiversity surrogacy models based on provincial forest inventory maps and field survey generally detected similar patterns but inaccuracies in air photo-interpretation of relative canopy cover led to differences between the two *** to field survey data,air photo-interpretation tended to confuse two Picea species and two Populus species present and homogenize stand *** generated divergence in models of ecological association used to predict the relationship between ground beetle assemblages and tree canopy *** of relative canopy cover from provincial inventory with other georeferenced land variables to produce the ecosystem classification maps improved biodiversity predictive *** association observed between uncommon surrogates and uncommon ground beetle species emphasizes the benefits of detecting these surrogates as a part of landscape *** order to comple

关键词： biodiversity surrogate regional conservation forest inventory ecosystem classification Carabidae

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Gas flow in rotary kilns

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Particuology 2010年第6期8卷 613-616页

作者： Patrick R.Davies Michael J.S.Norton D.Ian Wilson john f.Davidson David M.Scott Department of Chemical Engineering and Biotechnology University of CambridgePembroke StreetCambridgeCB2 3RAUK

This paper describes an experimental investigation on the flow characteristics within a rotating cylinder containing a rolling bed of sand. The axis of the cylinder was horizontal and there was no axial bulk flow of particles. The velocity field of the gas flowing through the cylinder was measured by hot-wire anemometry. The measurements indicate that the velocity field is asymmetric with respect to a diameter perpendicular to the granular bed. CfD calculations confirm this finding. The gas velocity profiles are crucial in determining heat transfer from gas to solid.

关键词： Rotating cylinderVelocity profile

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Health anxiety

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英国医学杂志中文版 2019年第6期22卷 360-362页

作者： Erik Hedman-Lagerlof Peter Tyrer john Hague Helen Tyrer Department of Clinical Neuroscience Division of PsychologyKarolinska InstitutetStockholmSweden Centre for Psychiatry Imperial CollegeLondonUK Derby Road Practice IpswichUK

A 46 year old man visits his general practitioner worried about episodes of chest pain and tightness.A recent CT coronary angiogram was *** has had numerous appointments with different GPs over the past year for a var... 详细信息

关键词： Health anxiety practitioner worried further investigation

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Growth and differentiation of human induced pluripotent stem cell(hiPSC)-derived kidney organoids using fully synthetic peptide hydrogels

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Bioactive Materials 2023年第3期21卷 142-156页

作者： Niall J.Treacy Shane Clerkin Jessica L.Davis Ciar´an Kennedy Aline f.Miller Alberto Saiani Jacek K.Wychowaniec Dermot f.Brougham john Crean Diabetes Complications Research Centre University College Dublin(UCD)Conway Institute of Biomolecular and Biomedical Research and BelfieldDublin 4Ireland UCD School of Biomolecular and Biomedical Science BelfieldDublin 4Ireland Department of Materials&Manchester Institute of Biotechnology(MIB) School of Natural SciencesFaculty of Science and EngineeringThe University of ManchesterUK UCD School of Chemistry University College DublinBelfieldDublin 4Ireland

Human induced pluripotent stem cell(hiPSC)-derived kidney organoids have prospective applications ranging from basic disease modelling to personalised ***,there remains a necessity to refine the bio-physical and biochemical parameters that govern kidney organoid *** within fully-controllable and physiologically relevant 3D growth environments will be critical to improving organoid reproducibility and ***,we matured hiPSC-derived kidney organoids within fully synthetic self-assembling peptide hydrogels(SAPHs)of variable stiffness(storage modulus,G′).The resulting organoids con-tained complex structures comparable to those differentiated within the animal-derived matrix,***-cell RNA sequencing(scRNA-seq)was then used to compare organoids matured within SAPHs to those grown within Matrigel or at the air-liquid interface.A total of 13,179 cells were analysed,revealing 14 distinct *** compositional analysis revealed a larger proportion of nephron cell types within Transwell-derived organoids,while SAPH-derived organoids were enriched for stromal-associated cell ***,dif-ferentiation within a higher G’SAPH generated podocytes with more mature gene expression ***-tionally,maturation within a 3D microenvironment significantly reduced the derivation of off-target cell types,which are a known limitation of current kidney organoid *** work demonstrates the utility of syn-thetic peptide-based hydrogels with a defined stiffness,as a minimally complex microenvironment for the selected differentiation of kidney organoids.

关键词： Human kidney organoids fully synthetic matrices Self-assembling peptide hydrogels Single-cell RNA sequencing

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Disappearance and appearance of an indigestible marker in feces from growing pigs as affected by previous-and currentdiet composition

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Journal of Animal Science and Biotechnology 2017年第3期8卷 643-651页

作者： Brandy M.Jacobs john f.Patience Merlin D.Lindemann Kenneth J.Stalder Brian J.Kerr Department of Animal Science Iowa State UniversityAmes 50010USA Department of Animal and food Sciences University of KentuckyLexington 40546KYUSA USDA-ARS-National Laboratory for Agricultural and the Environment Ames 50010IAUSA

Background： Indigestible markers are commonly utilized in digestion studies, but the complete disappearance or maximum appearance of a marker in feces can be affected by diet composition, feed intake, or an animal＇s *** objectives of this study were to determine the impact of previous（Phase 1, P1） and current-（Phase 2, P2）diet composition on marker disappearance（Cr） and appearance（Ti） in pigs fed 3 diets differing in NDf ***： When pigs were maintained on the 25.1, 72.5, and 125.0 g/kg NDf diets, it took 5.1, 4.1, and 2.5 d, respectively,for Cr levels to decrease below the limit of quantitation; or 4.6, 3.7, or 2.8 d, respectively, for Ti to be maximized. These effects were not, however, independent of the previous diet as indicated by the interaction between P1 and P2 diets on fecal marker concentrations（P 〈 0.01）. When dietary NDf increased from P1 to P2, it took less time for fecal Cr to decrease or fecal Ti to be maximized（an average of 2.5 d）, than if NDf decreased from P1 to P2 where it took longer for fecal Cr to decrease or fecal Ti to be maximized（an average of 3.4 d）.Conclusions： Because of the wide range in excretion times reported in the literature and improved laboratory methods for elemental detection, the data suggests that caution must be taken in considering dietary fiber concentrations of the past and currently fed diets so that no previous dietary marker addition remains in the digestive tract or feces such that a smal amount of maker is present to confound subsequent experimental results, and that marker concentration have stabilized when these samples are col ected.

关键词： Adaptation Digestibility fiber Indigestible marker Pig

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