cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5281/zenodo.4006803
title: Neural Networks for Structure-Informed Prediction of Formation Energy (employed in SIPFENN)

description: Work Abstract: In recent years, numerous studies have employed machine learning (ML) techniques to enable orders of magnitude faster high-throughput materials discovery by augmentation of existing methods or as standalone tools. In this paper, we introduce a new neural network-based tool for the prediction of formation energies based on elemental and structural features of Voronoi-tessellated materials. We provide a self-contained overview of the ML techniques used. Of particular importance is the connection between the ML and the true material-property relationship, how to improve the generalization accuracy by reducing overfitting, and how new data can be incorporated into the model to tune it to a specific material system.<br> <br> In the course of this work, over 30 novel neural network architectures were designed and tested. This lead to three final models optimized for (1) highest test accuracy on the Open Quantum Materials Database (OQMD), (2) performance in the discovery of new materials, and (3) performance at a low computational cost. On a test set of 21,800 compounds randomly selected from OQMD, they achieve mean average error (MAE) of 28, 40, and 42 meV/atom respectively. The second model provides better predictions on materials far from ones reported in OQMD, while the third reduces the computational cost by a factor of 8.<br> <br> We collect our results in a new open-source tool called SIPFENN (Structure-Informed Prediction of Formation Energy using Neural Networks). SIPFENN not only improves the accuracy beyond existing models but also ships in a ready-to-use form with pre-trained neural networks and a user interface.
DOI: 10.5281/zenodo.6131525
title: Neural Networks for Structure-Informed Prediction of Formation Energy (employed in SIPFENN)

description: Work Abstract: In recent years, numerous studies have employed machine learning (ML) techniques to enable orders of magnitude faster high-throughput materials discovery by augmentation of existing methods or as standalone tools. In this paper, we introduce a new neural network-based tool for the prediction of formation energies based on elemental and structural features of Voronoi-tessellated materials. We provide a self-contained overview of the ML techniques used. Of particular importance is the connection between the ML and the true material-property relationship, how to improve the generalization accuracy by reducing overfitting, and how new data can be incorporated into the model to tune it to a specific material system.<br> <br> In the course of this work, over 30 novel neural network architectures were designed and tested. This lead to three final models optimized for (1) highest test accuracy on the Open Quantum Materials Database (OQMD), (2) performance in the discovery of new materials, and (3) performance at a low computational cost. On a test set of 21,800 compounds randomly selected from OQMD, they achieve mean average error (MAE) of 28, 40, and 42 meV/atom respectively. The second model provides better predictions on materials far from ones reported in OQMD, while the third reduces the computational cost by a factor of 8.<br> <br> We collect our results in a new open-source tool called SIPFENN (Structure-Informed Prediction of Formation Energy using Neural Networks). SIPFENN not only improves the accuracy beyond existing models but also ships in a ready-to-use form with pre-trained neural networks and a user interface.
DOI: 10.5281/zenodo.6133037
title: Neural Networks for Structure-Informed Prediction of Formation Energy (employed in SIPFENN)

description: Work Abstract: In recent years, numerous studies have employed machine learning (ML) techniques to enable orders of magnitude faster high-throughput materials discovery by augmentation of existing methods or as standalone tools. In this paper, we introduce a new neural network-based tool for the prediction of formation energies based on elemental and structural features of Voronoi-tessellated materials. We provide a self-contained overview of the ML techniques used. Of particular importance is the connection between the ML and the true material-property relationship, how to improve the generalization accuracy by reducing overfitting, and how new data can be incorporated into the model to tune it to a specific material system.<br> <br> In the course of this work, over 30 novel neural network architectures were designed and tested. This lead to three final models optimized for (1) highest test accuracy on the Open Quantum Materials Database (OQMD), (2) performance in the discovery of new materials, and (3) performance at a low computational cost. On a test set of 21,800 compounds randomly selected from OQMD, they achieve mean average error (MAE) of 28, 40, and 42 meV/atom respectively. The second model provides better predictions on materials far from ones reported in OQMD, while the third reduces the computational cost by a factor of 8.<br> <br> We collect our results in a new open-source tool called SIPFENN (Structure-Informed Prediction of Formation Energy using Neural Networks). SIPFENN not only improves the accuracy beyond existing models but also ships in a ready-to-use form with pre-trained neural networks and a user interface.
DOI: 10.22002/d1.1459
title: Cassini ISS UV1 + MT3 Jupiter north polar mosaic movie frames

description: This data set is a g-zipped, tarred collection of jpg mosaics projected above Jupiter's north pole for filters UV1 and MT3 (for a description of the filters see C. Porco et al., Space Science Reviews 115: 363–497, 2004. For a description of ISS activity for the Jupiter flyby see Porco et al., SCIENCE VOL 299 7 MARCH 2003, page 1541.
DOI: 10.22002/d1.1455
title: Ridgecrest Aftershocks at Coso Suppressed by Thermal Destressing

description: Simulation Code for Manuscript
DOI: 10.22002/d1.1431
title: Data for "Strength Evolution of Ice Plume Deposit Analogs of Enceladus and Europa"

description: This Excel spreadsheet contains all data necessary to reproduce the work and figures presented in Choukroun et al. GRL 2020 article:
- First tab contains all tabulated Cone Penetration Tests data (Figures 1, 2-a, 3)
- Second tab contains graduated cylinder density data (Table S2)
- Third tab contains the parameters of linear fits of strengthening as function of time at each temperature (from Figure 2-a, used in Figure 2-b)
- Fourth tab contains the parameters of the best fit Arrhenius relationship from the strengthening rate as function of temperature (derived from Figure 2-b, used to extrapolate to Enceladus and Europa conditions in Figure 4)
DOI: 10.22002/d1.1388
title: Structural evolution of orogenic wedges: interplay between erosion and weak décollements

description: This dataset contains main output files of the numerical experiments described in the main text.
description: Related Publication:
Structural evolution of orogenic wedges: interplay between erosion and weak décollements

Luca Dal Zilio Division of Geological and Planetary Sciences, California Institute of Technology (Caltech), 91125 Pasadena, California, United States
eng
DOI: 10.22002/d1.1348
title: Unraveling scaling properties of slow-slip events

description: This dataset contains data used in Dal Zilio et al., (2020): Unraveling scaling properties of slow-slip events
DOI: 10.22002/d1.1344
title: Haze seasonal variations of Titan's upper atmosphere

description: This study presents a 13 years survey of haze UV extinction profiles, monitoring the temporal evolution of the detached haze layer (DHL) in Titan's upper atmosphere (350-600 km). As reported by West et al. 2011 (GRL vol.38, L06204) at the equator, we show that the DHL is present at all latitudes below 55°N during the northern winter (2004-2009). Then, it globally sunk and disappeared in 2012. No permanent DHL was observed between 2012 and 2015. It's only in late-2015, that a new structure emerged from the Northern hemisphere and propagated to the equator. This new DHL is not as pronounced as in 2004 and is much more complex than the one observed earlier. In one specific sequence, in 2005, we were able to investigate the short time scale variability of the DHL and no major changes was observed. When both side of the limb were visible (dawn/dusk), we notice that the extinction of the DHL is slightly higher on the dawn side. Additionally, during a polar flyby in 2009, we observed the longitudinal variability of the DHL and spotted some local inhomogeneities. Finally, comparisons with UVIS stellar occultations and General Climate Models (GCMs) are both consistent with our findings. However, we noticed that the timing of the DHL main pattern predicted by the GMCs can be off by up to 30° in solar longitude. All these observations bring new perspectives on the seasonal cycle of Titan's upper atmosphere, the evolution of the DHL and its interaction with the dynamics.
description: This dataset contains the list of all the ISS images and UV extinction profiles derived from your analysis, plus the source code to reproduce the figures.
description: JPL-URS290356-CL#21-0547
description: Related Publication:
Haze seasonal variations of Titan's upper atmosphere during the Cassini Mission

Benoît Seignovert Jet Propulsion Laboratory, California Institute of Technology, Pasadena, CA 91109, USA

Rannou Pascal GSMA, Université de Reims Champagne-Ardenne, UMR 7331-GSMA, 51687 Reims, France

West Robert A. Jet Propulsion Laboratory, California Institute of Technology, Pasadena, CA 91109, USA

Vinatier Sandrine LESIA, Observatoire de Paris, Université PSL, CNRS, Sorbonne Université, Université de Paris, 5 place Jules Janssen, 92195 Meudon, France

The Astrophysical Jounal (ApJ)

2021-01-25

https://doi.org/10.3847/1538-4357/abcd3b
eng
DOI: 10.22002/d1.1326
title: Supplementary data tables for Composition, Stratigraphy, and Geological History of the Noachian Basement Surrounding the Isidis Impact Basin

description: Three supplementary data tables: 

Supplement 1 contains the texture and HiRISE color properties evaluated for all mapped megabreccia outcrops. Megabreccia outcrop positions are given as X,Y,elevation-locations in the global MOLA mosaic with projection of SimpleCylindrical_Mars.
Supplement 2 contains all measured megabreccia block sizes and their locations in the same format as supplement 1. 
Supplement 3 contains all orientation measurements (strike, dip, and rake errors) from layers and contact segments of Stratified Basement within 2 different HiRISE DEMs.
DOI: 10.22002/d1.1318
title: Individual Bedding Fit Measurements on Vera Rubin Ridge

description: This table contains derived attitude measurements corresponding to traces of individual beds in the Vera Rubin Ridge. Measurements were performed on stereo Mastcam images assuming a 3 sigma stereo error standard deviation.
DOI: 10.22002/d1.1317
title: Segmentation of the Main Himalayan Thrust illuminated by Bayesian inference of interseismic coupling

description: This dataset contains GPS data, Leveling data, and the fault geometry used for the inversions.
DOI: 10.22002/d1.1298
title: [dataset] Two-phase wash to solve the ubiquitous contaminant-carryover problem in commercial nucleic-acid extraction kits

description: Full dataset for "Two-phase wash to solve the ubiquitous contaminant-carryover problem in commercial nucleic-acid extraction kits" published in Scientific Reports
DOI: 10.22002/d1.1293
title: Dataset S1 -  P-wave velocity model of Long Beach, CA.

description: P-wave velocity model of Long Beach, California. The node spacing of the velocity model is 70 m.
description: Related Publication:
Using a Time-Based Subarray Method to Extract and Invert Noise-Derived Body Waves at Long Beach, California

Jorge C. Castellanos California Institute of Technology

Journal of Geophysical Research: Solid Earth
eng
description: Contact person: Alan Juarez alanjuar@usc.edu
DOI: 10.22002/d1.1286
title: Slip rate-dependent friction as a universal mechanism for slow slip events

description: Code and Data for Manuscript
DOI: 10.22002/d1.1266
title: Data and analysis files for linear scVI paper

description: This deposit has analysis files, data, and intermediate files for testing a linearly decoded variational autoencoder used to explore massive scale scRNA-seq data.
DOI: 10.22002/d1.1267
title: Data and analysis notebook for single cell studies database manuscript

description: This deposit contains a snapshot of data, and a Jupyter notebook that was used to generate figures from the data, which serves as an example for how the data can be investigated
description: Related Publication:
A curated database reveals trends in single cell transcriptomics

bioRxiv

2019-08-21

https://doi.org/10.1101/742304
eng
DOI: 10.6084/m9.figshare.21632120
title: Supplementary Material-I and II

description: <strong>Economic valuation of ecosystem services in a Himalayan protected area</strong>
DOI: 10.6084/m9.figshare.21632120.v2
title: Supplementary Material-I and II

description: <strong>Economic valuation of ecosystem services in a Himalayan protected area</strong>
DOI: 10.6084/m9.figshare.21632120.v1
title: Supplementary Material-I and II

description: <strong>Economic valuation of ecosystem services in a Himalayan protected area</strong>
DOI: 10.6073/pasta/2f5b52cd7d895211b088752565f1632e
title: CDRRC growing season aridity and grazing season vegetation biomass data

description: Growing season aridity and livestock grazing seasonality can influence biomass production of perennial grasses in dryland systems. For this study, we used a long-term dataset (1967-2004) to investigate the independent and joint effects of growing season aridity (De Martonne aridity index calculated for the months of June through September) and grazing season (yearlong continuous, fall, winter/spring, or summer season grazing) on the mean annual biomass (kg per hectare) of the perennial grasses Bouteloua eriopoda (black grama), Aristida spp. (threeawn), and Sporobolus spp. (dropseed) in a southwestern United States Chihuahuan Desert rangeland system. Biomass data were collected from 78 permanent sampling transects that were within one mile (1609.34 m) distance to water. Over the 37-year study period, total perennial grass biomass decreased as growing season aridity increased, but the extent of this relationship depended upon season of grazing and specific grass taxon. Aridity-related decreases in total perennial grass biomass were most severe in the summer and fall summer seasonal grazing pastures, primarily due to inherently low black grama levels. Our findings indicate that over time, summer and fall grazing can potentially exacerbate the negative effects of increasing aridity on perennial grass biomass.
DOI: 10.5281/zenodo.7187210
title: Spotify Top 50 European Countries

description: Top 50 tracks data from european countries
DOI: 10.5281/zenodo.7187209
title: Spotify Top 50 European Countries

description: Top 50 tracks data from european countries
DOI: 10.6084/m9.figshare.21632240.v1
title: white sturgeon genotype data

description: Genotype data for 325 SNP loci observed using genotyping-by-thousands (amplicon sequencing) for white sturgeon (Acipenser transmontanus); N=3468 individuals
DOI: 10.6084/m9.figshare.21632240
title: white sturgeon genotype data

description: Genotype data for 325 SNP loci observed using genotyping-by-thousands (amplicon sequencing) for white sturgeon (Acipenser transmontanus); N=3468 individuals
DOI: 10.5519/qd.1z5qzzrs
title: Query on the Natural History Museum Data Portal (data.nhm.ac.uk) (466 records)
DOI: 10.6084/m9.figshare.21299586.v1
title: Dataset 1.xlsx

description: Data for Figures 5, 6 and 7
DOI: 10.5281/zenodo.7060271
title: Persistent alveolar type 2 dysfunction and lung structural derangement in post-acute COVID-19

description: SARS-CoV-2 infection can manifest as a wide range of respiratory and systemic symptoms well after the acute phase of infection in over 50% of patients. Key questions remain on the long-term effect of infection on tissue pathology and on recovered COVID-19 patients. Here we perform multiplexed imaging of post-mortem lung tissue from 12 individuals that died post-acute COVID-19 (PC) and compare them to patients who died during the acute phase of COVID-19, patients who died with idiopathic pulmonary fibrosis (IPF), and otherwise healthy lung. We find evidence of viral presence in the lung up to 359 days after the acute phase of disease, often in patients with negative nasopharyngeal swab test. Our analyses identify accumulation of senescent alveolar type 2 cells, fibrosis with hypervascularization of peribronchial areas and alveolar septa, as the most pronounced pathophysiological features seen in the lung of PC patients. At the cellular level, lung disease of PC patients is distinct from the chronic pulmonary disease of IPF but shares pathological features which may help rationalize interventions for PASC patients. Altogether, this study provides an important ground for the understanding of the long-term effects of SARS-CoV-2 infection at the microanatomical, cellular and molecular level.
description: We make available OME-TIFF files containing raw imaging mass cytometry data for all 23 samples, totaling 175 regions of lung tissue. A file containing processed data at single-cell level (post-covid-imc.h5ad) is also available.
DOI: 10.5281/zenodo.7060270
title: Persistent alveolar type 2 dysfunction and lung structural derangement in post-acute COVID-19

description: SARS-CoV-2 infection can manifest as a wide range of respiratory and systemic symptoms well after the acute phase of infection in over 50% of patients. Key questions remain on the long-term effect of infection on tissue pathology and on recovered COVID-19 patients. Here we perform multiplexed imaging of post-mortem lung tissue from 12 individuals that died post-acute COVID-19 (PC) and compare them to patients who died during the acute phase of COVID-19, patients who died with idiopathic pulmonary fibrosis (IPF), and otherwise healthy lung. We find evidence of viral presence in the lung up to 359 days after the acute phase of disease, often in patients with negative nasopharyngeal swab test. Our analyses identify accumulation of senescent alveolar type 2 cells, fibrosis with hypervascularization of peribronchial areas and alveolar septa, as the most pronounced pathophysiological features seen in the lung of PC patients. At the cellular level, lung disease of PC patients is distinct from the chronic pulmonary disease of IPF but shares pathological features which may help rationalize interventions for PASC patients. Altogether, this study provides an important ground for the understanding of the long-term effects of SARS-CoV-2 infection at the microanatomical, cellular and molecular level.
description: We make available OME-TIFF files containing raw imaging mass cytometry data for all 23 samples, totaling 175 regions of lung tissue. A file containing processed data at single-cell level (post-covid-imc.h5ad) is also available.
DOI: 10.5281/zenodo.7181945
title: Two-photon fluorescence microscopy image stacks of human brain sections (grey and white matter)

description: Two-photon fluorescence microscopy (TPFM) image stacks of human brain sections including grey matter (N<sub>g</sub>=10) and white matter (N<sub>w</sub>=10), considered in the validation of the 3D fiber orientation analysis pipeline proposed in: "<em>Fiber enhancement and 3D orientation analysis in label-free two-photon fluorescence microscopy</em>". <br> Human brain tissue was preliminarily treated for TPFM following the label-free MAGIC preparation technique, presented in (Costantini et al., <em>Scientific Reports</em> 2021). The PSF of the TPFM system has a FWHM of (0.692, 0.692, 2.612) μm along the x, y, and z axes, respectively, whereas the adopted voxel size is 0.88 μm x 0.88 μm x 1 μm.
description: Funding: General Hospital Corporation Center of the National Institutes of Health (award number: U01 MH117023); The Italian Ministry for Education in the framework of the Euro-Bioimaging Italian Node (ESFRI research infrastructure); Fondazione CR Firenze (private foundation, project title: Human Brain Optical Mapping).
description: {"references": ["I. Costantini, E. Baria, M. Sorelli, F. Matuschke, F. Giardini, M. Menzel, G. Mazzamuto, L. Silvestri, R. Cicchi, K. Amunts, M. Axer, F. S. Pavone, Autofluorescence enhancement for label-free imaging of myelinated fibers in mammalian brains, Scientific Reports 11 (2021) 8038. doi:10. 1038/s41598-021-86092-7."]}
DOI: 10.5281/zenodo.7181944
title: Two-photon fluorescence microscopy image stacks of human brain sections (grey and white matter)

description: Two-photon fluorescence microscopy (TPFM) image stacks of human brain sections including grey matter (N<sub>g</sub>=10) and white matter (N<sub>w</sub>=10), considered in the validation of the 3D fiber orientation analysis pipeline proposed in: "<em>Fiber enhancement and 3D orientation analysis in label-free two-photon fluorescence microscopy</em>". <br> Human brain tissue was preliminarily treated for TPFM following the label-free MAGIC preparation technique, presented in (Costantini et al., <em>Scientific Reports</em> 2021). The PSF of the TPFM system has a FWHM of (0.692, 0.692, 2.612) μm along the x, y, and z axes, respectively, whereas the adopted voxel size is 0.88 μm x 0.88 μm x 1 μm.
description: Funding: General Hospital Corporation Center of the National Institutes of Health (award number: U01 MH117023); The Italian Ministry for Education in the framework of the Euro-Bioimaging Italian Node (ESFRI research infrastructure); Fondazione CR Firenze (private foundation, project title: Human Brain Optical Mapping).
description: {"references": ["I. Costantini, E. Baria, M. Sorelli, F. Matuschke, F. Giardini, M. Menzel, G. Mazzamuto, L. Silvestri, R. Cicchi, K. Amunts, M. Axer, F. S. Pavone, Autofluorescence enhancement for label-free imaging of myelinated fibers in mammalian brains, Scientific Reports 11 (2021) 8038. doi:10. 1038/s41598-021-86092-7."]}
DOI: 10.6084/m9.figshare.21632234
title: Fig 2 and Fig 3

description: Matlab script and data files showing the azimuthal velocities from Fig 2. (a) is azimuthal velocity while (b) and (c) present the zoom-in views of relative vorticity and topography respectively in the area indicated by the black square in (a)
DOI: 10.6084/m9.figshare.21632234.v1
title: Fig 2 and Fig 3

description: Matlab script and data files showing the azimuthal velocities from Fig 2. (a) is azimuthal velocity while (b) and (c) present the zoom-in views of relative vorticity and topography respectively in the area indicated by the black square in (a)
DOI: 10.57968/middlebury.21626402
title: NGC 1342

description: object name: NGC 1342 object type: open star cluster coordinates: 03 31 34.6, +37 22 48 (2000) constellation: Perseus alternate name: Collinder 40 observation filters: V, B file formats: FITS, PNG observation dates: 2021 September-October telescope: Mittelman Observatories 0.5m at New Mexico Skies comparison star: USNO NOMAD
DOI: 10.57968/middlebury.21626402.v1
title: NGC 1342

description: object name: NGC 1342 object type: open star cluster coordinates: 03 31 34.6, +37 22 48 (2000) constellation: Perseus alternate name: Collinder 40 observation filters: V, B file formats: FITS, PNG observation dates: 2021 September-October telescope: Mittelman Observatories 0.5m at New Mexico Skies comparison star: USNO NOMAD
DOI: 10.57968/middlebury.21626411
title: NGC 1545

description: object name: NGC 1545 object type: open star cluster coordinates: 04 20 48.5, +50 13 16 (2000) constellation: Perseus alternate name: Collinder 49 observation filters: V, B file formats: FITS, PNG observation dates: 2021 September-October telescope: Mittelman Observatories 0.5m at New Mexico Skies comparison star: USNO NOMAD