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Analyzing machine learning models to accelerate generation of fundamental materials insights

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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

Multi-component background learning automates signal detection for spectroscopic data

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npj Computational Materials 2019年第1期5卷 484-490页

作者： sebastian E.Ament helge s.stein Dan Guevarra Lan Zhou Joel A.Haber David A.Boyd Mitsutaro Umehara John M.Gregoire Carla P.Gomes Department of Computer science Cornell UniversityIthacaNY 14850USA Joint Center for Artificial Photosynthesis California Institute of TechnologyPasadenaCA 91125USA Future Mobility Research Department Toyota Research Institute of North AmericaAnn ArborMI 48105USA

Automated experimentation has yielded data acquisition rates that supersede human processing *** Intelligence offers new possibilities for automating data interpretation to generate large,high-quality *** subtraction is a long-standing challenge,particularly in settings where multiple sources of the background signal coexist,and automatic extraction of signals of interest from measured signals accelerates data ***,we present an unsupervised probabilistic learning approach that analyzes large data collections to identify multiple background sources and establish the probability that any given data point contains a signal of *** approach is demonstrated on X-ray diffraction and Raman spectroscopy data and is suitable to any type of data where the signal of interest is a positive addition to the background *** the model can incorporate prior knowledge,it does not require knowledge of the signals since the shapes of the background signals,the noise levels,and the signal of interest are simultaneously learned via a probabilistic matrix factorization *** identification of interpretable signals by unsupervised probabilistic learning avoids the injection of human bias and expedites signal extraction in large datasets,a transformative capability with many applications in the physical sciences and beyond.

关键词： signal component spectroscopic

Effective extraction of polyribosomes from astrocytes enables future discoveries on translation regulation

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Neural Regeneration Research 2025年第4期20卷 1083-1084页

作者： Orna Elroy-stein sagol school of Neuroscience Tel Aviv UniversityTel AvivIsrael shmunis school of Biomedicine and Cancer Research George S.Wise Faculty of Life SciencesTel Aviv UniversityTel AvivIsrael

Translation regulation is an important layer of gene expression:Generation of genome-wide expression datasets at multi-omics levels in spatial,temporal,and cell-type resolution is essential for deciphering brain *** of gene expression is a highly dynamic process aiming at the production of precise levels of gene products to guarantee optimal cellular function,in response to physiological *** advances in next-generation sequencing enabled the understanding of epigenomic and transcriptomic dynamic landscapes of different brain regions along development,aging,and disease ***,the correlation of the“transcriptome”with protein levels is poor because numerous mRNAs are subjected to manipulation of their translation efficiency,to warrant a favorable result under certain ***,it is widely accepted that regulation at the translation level is a vital layer of gene *** of actively translated mRNA populations(i.e.,“translatome”)is a more reliable predictor of the“proteome”(Wang et al.,2020).

关键词： translation enable landscape

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Dysregulated microRNAs in type 2 diabetes and breast cancer:Potential associated molecular mechanisms

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World Journal of Diabetes 2024年第6期15卷 1187-1198页

作者： Alex Cleber Improta-Caria Filipe Ferrari João Lucas Penteado Gomes Paloma Brasilio Villalta Úrsula Paula Renósoci Ricardo stein Edilamar M Oliveira Laboratory of Biochemistry and Molecular Biology of the Exercise Physical Education and Sport SchoolUniversity of São PauloSão Paulo 05508-030Brazil Graduate Program in Cardiology and Cardiovascular sciences Federal University of Rio Grande do SulHospital de Clínicas de Porto AlegrePorto Alegre 90035003Brazil Laboratory of Metabolic Disorders(Labdime) School of Applied SciencesUniversity of Campinas-UNICAMPCampinas 13484-350Brazil Departments of Internal Medicine Molecular Pharmacology and PhysiologyCenter for Regenerative MedicineUSF Health Heart InstituteMorsani College of MedicineUniversity of South FloridaTampaFL 33602United States

Type 2 diabetes(T2D)is a multifaceted and heterogeneous syndrome associated with complications such as hypertension,coronary artery disease,and notably,breast cancer(BC).The connection between T2D and BC is established through processes that involve insulin resistance,inflammation and other *** this comprehension the specific cellular and molecular mechanisms linking T2D to BC,especially through microRNAs(miRNAs),remain *** are regulators of gene expression at the post-transcriptional level and have the function of regulating target genes by modulating various signaling pathways and biological ***,the signaling pathways and biological processes regulated by miRNAs that are associated with T2D and BC have not yet been *** review aims to identify dysregulated miRNAs in both T2D and BC,exploring potential signaling pathways and biological processes that collectively contribute to the development of BC.

关键词： Type 2 diabetes Breast cancer MicroRNAs Molecular mechanisms

Investigation of the Characteristics of the 2008 Wenchuan and 2013 Lushan Earthquakes and Their Relationship

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地质学报 2013年第S1期 6-7页

作者： LIN Jian shinji TODA Ross s.stein Mustapha MEGHRAOUI Woods Hole Oceanographic Institution Tohoku University U.s.Geological survey EOsT-Institut de Physique du Globe de strasbourg

This presentation illustrates the characteristics of the 2008 Wenchuan and 2013 Lushan earthquakes, investigates their stress interaction, and discusses the implications on regional seismicity rate changes. In 2008, we calculated that the 12 May 2008 Mw=7.9 Wenchuan earthquake has increased Coulomb failure stress on adjacent major fault systems, including the ends of the 2008 Longmen shan rupture,

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sALs AND MORPHOLOGY OF POLYPROPYLENE sPHERULITEs

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Chinese Journal of Polymer science 1986年第4期 341-345页

作者：徐懋,胡世如,Richard s.stein Institute of Chemistry Academia sinica Beijing Institute of Chemistry Academia sinica Beijing Polymer science and Engineering Department University of Massachusetts Amherst MA 01003 UsA

spherulites of different morphological features have been obtained by varying the cooling rateof polypropylene melts through the crystallization temperature range from 120℃to 90℃. It wasfound that sALs is very sensitive to the changes of internal structure of the spherulites, and information about their morphological difference can be obtained according to the model theories and statisticaltheories of sALs.

关键词： show sALs AND MORPHOLOGY OF POLYPROPYLENE sPHERULITEs OC

The Effect of Diapycnal Mixing on the Ventilation and CFC-11 Uptake in the southern Ocean

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Advances in Atmospheric sciences 2004年第5期21卷 755-766页

作者： helge DRANGE Nansen Environmental and Remote sensing Center Bergen Norway Nansen-Zhu International Research Centre Institute of Atmospheric Physics Chinese Academy of Sciences Beijing 100029Bjerknes Centre for Climate Research Bergen Norway Geophysical Institute University of Bergen Bergen Norway

The Miami Isopycnic Coordinate Ocean Model (MICOM) is used to investigate the effect of diapycnal mixing on the oceanic uptake of CFC-11 and the ventilation of the surface waters in the southern Ocean (south of 45°s). Three model experiments are performed: one with a diapycnal mixing coefficientK d (m2 s?1) of 2 × 10?7/N (Expt. 1), one withK d = 0 (Expt. 2), and one withK d = 5 × 10?8/N (Expt. 3),N (s?1) is the Brunt-V?is?l? frequency. The model simulations indicate that the observed vertical distribution of CFC-11 along 88°W (prime meridian at 0°E) in the southern Ocean is caused by local ventilation of the surface waters and westward-directed (eastward-directed) isopycnic transport and mixing from deeply ventilated waters in the Weddell sea region. It is found that at the end of 1997, the simulated net ocean uptake of CFC-11 in Expt. 2 is 25% below that of Expt. 1. The decreased uptake of CFC-11 in the southern Ocean accounts for 80% of this difference. Furthermore, Expts. 2 and 3 yield far more realistic vertical distributions of the ventilated CFC-waters than Expt. 1. The experiments clearly highlight the sensitivity of the southern Ocean surface water ventilation to the distribution and thickness of the simulated mixed layer. It is argued that inclusion of CFCs in coupled climate models could be used as a test-bed for evaluating the decadal-scale ocean uptake of heat and CO2.

关键词： chlorofluorocarbons CFC-11 diapycnal mixing ocean modelling ocean ventilation southern Ocean transient tracers

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Ice bottom evolution derived from thermistor string-based ice mass balance buoy observations

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International Journal of Digital Earth 2023年第1期16卷 3085-3104页

作者： Zeliang Liao Yubing Cheng Ying Jiang Mengmeng Li Bin Cheng stein sandven school of Computer science and Engineering Sun Yat-Sen UniversityGuangzhouPeople’s Republic of China Institute of Atmospheric Physics Chinese Academy of SciencesBeijingPeople’s Republic of China Henan Academy of Big Dat1 Zhengzhou UniversityZhengzhouPeople’s Republic of China Meteorological Department Finnish Meteorological InstituteHelsinkiFinland Acoustic and Oceanography Department Nansen Environmental and Remote Sensing CenterBergenNorway

Digital information on sea ice extent,thickness,volume,and distribution is crucial for understanding Earth's climate *** snow and Ice Mass Balance Apparatus(sIMBA)is used to determine snow and ice temperatures in Arctic,Antarctic,ice-covered seas,and boreal *** depth and ice thickness are derived from sIMBA temperature regimes(sIMBA_ET and sIMBA_HT).In warm conditions,siMBA_ET temperature-based ice thickness may have errors due to the isothermal vertical ***_HT provides a visible ice-bottom interface for manual *** propose an unmanned approach,combining neural networks,wavelet analysis,and Kalman filtering(NWK),to mathematically establish NwK and retrieve ice bottoms from various sIMBA_HT *** the Arctic,NWK-derived total thickness showed a bias range of-5.64 cm to 4.01 cm and a correlation coefficient of 95%-99%.For Baltic sea ice,values ranged from 1.31 cm to 2.41 cm(88%-98%correlation),and for boreal lake ice,-0.7 cm to 2.6 cm(75%-83%correlation).During ice growth,thermal equilibrium,and melting,the bias varied from-3.93 cm to 2.37 cm,-1.92 cm to 0.04 cm,and-4.90 cm to 3.96 cm,with correlation coefficients of 76%-99%.These results demonstrate NWK's robustness in retrieving ice bottom evolution in different water environments.

关键词： sea ice thickness lake ice thickness ice-bottom evolution nonlinear filtering

Limited tree richness effects on herb layer composition,richness and productivity in experimental forest stands

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Journal of Plant Ecology 2017年第1期10卷 190-200页

作者： Markus s.Germany helge Bruelheide Alexandra Erfmeier Institute for Ecosystem Research GeobotanyKiel UniversityOlshausenstr.7524118 KielGermany Institute of Biology/Geobotany and Botanical Garden Martin Luther University Halle-WittenbergAm Kirchtor 106120 HalleGermany German Centre for Integrative Biodiversity Research(iDiv)Halle-Jena-Leipzig Deutscher Platz 5e04103 LeipzigGermany

Aims In forests,the herbaceous understory vegetation plays an important role for ecosystem functioning as it represents a significant component of total aboveground *** addition,the herb layer contributes to overall forest species richness and controls tree species *** versa,trees in the overstory control understory herb and shrub growth through competition for *** an experimental forest plantation with manipulated tree richness,we asked to which degree tree species richness and identity affect herb layer composition,richness and productivity and how these relationships across strata change with abiotic environmental conditions and competition *** In the context of the Biodiversity-Ecosystem Functioning project in subtropical China(BEF-China),we made use of the integrated BEFmod experiment arranged along a tree species richness gradient at two sites,with additional subplot treatments of phosphorus addition,herb layer weeding and no *** recorded the understory vegetation and determined herb layer biomass production on a total of 201 *** Findings We found only minor effects of tree layer richness on herb layer species composition and no significant effect on herb layer richness or productivity ***,there were strong tree layer identity effects on all response variables,which were partly explained by differences in leaf area index and by a high share of woody species both in total herb layer species richness and *** were strong treatment effects,which were largest in the‘no weeding’treatment but we did not find any treatment×tree layer richness interaction in herb layer ***,these effects are mainly explained by increased competition intensity within the herb layer in the absence of *** the young age of the experiment,the interactions between tree species identity,tree richness and the herb layer did already emerge and can be expected to become stronger with

关键词： experimental research platform of BEF-China functional biodiversity research forest understory biomass Jiangxi Province