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117 results for “Machine-learning”
Code and extensive data for training neural networks for radiation, used in "Implementation of a machine-learned gas optics parameterization in the ECMWF Integrated Forecasting System: RRTMGP-NN 2.0""
<p>Data and code used in a paper submitted to JAMES titled :<em> Implementation of a machine-learned gas optics parameterization in the ECMWF Integrated Forecasting System</em></p> <p>1) The files <strong>ml_training_*.7z</strong> contain extensive datasets (in NetCDF format) for training neural network versions of the RRTMGP gas optics scheme as described in the paper. The datasets are read by <a href="https://github.com/peterukk/rte-rrtmgp-nn/blob/main/examples/rrtmgp-nn-training/ml_train.py">ml_train.py.</a></p> <p>2) The ML datasets were in turn generated using the input profiles (in NetCDF format) inside <strong>inputs_to_RRTMGP.zip </strong>by running the Fortran programs <code>rrtmgp_sw_gendata_rfmipstyle.F90 and rrtmgp_lw_gendata_rfmipstyle.F90 </code>in <em>rte-rrtmgp-nn/examples/rrtmgp-nn-training</em>, which call the RRTMGP gas optics scheme, The input profiles contain <strong>millions of columns, hundreds of perturbation experiments (including hypercube-sampled gas concentrations), are derived from several different data sources (including CAMS reanalysis, GCM, and CKDMIP-MMM), and span present-day, preindustrial, and future atmospheric conditions.</strong> They could be used to generate training data for developing emulators of the full RTE+RRTMGP radiation scheme, not just gas optics (see nn_dev on the <a href="https://github.com/peterukk/rte-rrtmgp-nn">RTE+RRTMGP-NN repository on Github</a>, used in a previous paper where different emulation methods were compared)</p> <p>3) The Fortran and Python code used for data generation and NN training are found in<a href="https://github.com/peterukk/rte-rrtmgp-nn/tree/main/examples/rrtmgp-nn-training"> <em>rte-rrtmgp-nn/examples/rrtmgp-nn-training</em> </a>on the main branch on Github; <strong>an archived version is also included here </strong>(<strong>rte-rrtmgp-nn-2.0.zip</strong>). See the readme in the above sub-directory for further information.</p> <p> </p>
Raw Data for the publication of 'Machine-Learning of Piezoelectric Coefficients for Wurtzite Crystals'
<p>The dataset used for the ML model described in <strong>Machine-Learning of Piezoelectric Coefficients for Wurtzite Crystals. </strong></p> <p> </p>
Supporting Data for "Does a Machine-Learned Potential Perform Better Than an Optimally Tuned Traditional Force Field? A Case Study on Fluorohydrins"
<p>Supporting Data for "Does a Machine-Learned Potential Perform Better Than an Optimally Tuned Traditional Force Field? A Case Study on Fluorohydrins"</p>
Supplemetary Data for the article: Machine-learning identified molecular fragments responsible for infrared emission features of polycyclic aromatic hydrocarbons
<p>This is a set of Supplementary materials for the article 'Machine-learning identified molecular fragments responsible for infrared emission features of polycyclic aromatic hydrocarbons', by Meng et al.</p> <p>Supplementary_Data_I.pdf contains an extensive table spanning 36 pages that lists the top-10 molecular fragments accountable for the spectral bands between 2.761 and 1172.745 μm. To access this table, hyperlinks within the document can be used for navigation.</p> <p>Supplementary_Data_II.pdf comprises a large table that encompasses 10,691 pages, including the top-100 molecular fragments responsible for the spectral bands between 2.761 and 1172.745 μm. Navigation through the hyperlinks enables access to this table.</p> <p>Supplementary_Data_III.csv encompasses the chemical formulas, number of unpaired valence electrons, spin multiplicities, xyz data, and SMILES strings of the PAHs carrying the additional spectra.</p> <p>Supplementary_data_IV.zip includes the input and output datasets along with the ML code. The code script is written in Python 3.7, and is supported by the following libraries: sklearn, json, numpy, and pandas.</p> <p>Supplementary_Information.pdf contains the evidence supporting the choice of the cutoff radius, as well as the figures of the count of the molecules in the dataset, the FI with changing datasets and hyperparameters, of cross-validation, and of UIE bands and emission features of four SH PAHs. Importance of three carbon skeleton fragments for bands in different intervals is also demonstrated.</p>
Capturing the interactions in the BaSnF$_4$ ionic conductor: a comparison of machine-learning potentials and polarizable force fields
<p>The current files contain all the original data for our work "Capturing the interactions in the BaSnF<sub>4 </sub>ionic conductor: a comparison of machine-learning potentials and polarizable force fields". </p>
Developing and Evaluating a Machine-Learning Opioid Overdose Prediction & Risk-Stratification Tool in Primary Care
ClinicalTrials.gov study NCT06810076. IPD Sharing: NO. Countries: 1. Publications: 5.
Data from: OoCount: A machine-learning based approach to mouse ovarian follicle counting and classification
Open the record for dataset details and reuse information.
Data for: Foundations of a fast, data-driven, machine-learned simulator
Open the record for dataset details and reuse information.
Data from: QTG-Finder2: a generalized machine-learning algorithm for prioritizing QTL causal genes in plants
Linkage mapping has been widely used to identify quantitative trait loci (QTL) in many plants and usually requires a time-consuming and labor-intensive fine mapping process to find the causal gene underlying the QTL. Previously, we described QTG-Finder, a machine-learning algorithm to rationally prioritize candidate causal genes in QTLs. While it showed good performance, QTG-Finder could only be used in Arabidopsis and rice because of the limited number of known causal genes in other species. Here we tested the feasibility of enabling QTG-Finder to work on species that have few or no known causal genes by using orthologs of known causal genes as training set. The model trained with orthologs could recall about 64% of Arabidopsis and 83% of rice causal genes when the top 20% ranked genes were considered, which is similar to the performance of models trained with known causal genes. The average precision was 0.027 for Arabidopsis and 0.029 for rice. We further extended the algorithm to include polymorphisms in conserved non-coding sequences and gene presence/absence variation as additional features. Using this algorithm, QTG-Finder2, we trained and cross-validated Sorghum bicolor and Setaria viridis models. The S. bicolor model was validated by causal genes curated from the literature and could recall 70% of causal genes when the top 20% ranked genes were considered. In addition, we applied the S. viridis model and public transcriptome data to prioritize a plant height QTL and identified 13 candidate genes. QTL-Finder2 can accelerate the discovery of causal genes in any plant species and facilitate agricultural trait improvement.
Prediction of femoral osteoporosis using machine-learning analysis with radiomics features and abdomen-pelvic CT: A retrospective single center preliminary study
<p>Dataset of prediction of osteoporosis using APCT, radiomics and machine learning analysis.</p>
Calibration of probability predictions from machine-learning and statistical models
<p>This data set describes the occurrence (yes/no) of a bird, the Southern Whiteface (<i>Aphelocephala leucopsis)</i> in Australia. A suite of environmental variables is provided, which are used in the paper to illustrate a statistical problem. The data are meant to allow reproduction of the analysis in this paper. They are not intended for actual ecological analysis. The data come as .Rdata-file, i.e. as an R-dataset (described technically here: https://www.loc.gov/preservation/digital/formats/fdd/fdd000470.shtml).</p> <p>Here is the paper's abstract:</p> <p><span>Aim: Predictions from statistical models may be uncalibrated, meaning that the predicted values do not have the nominal coverage probability. This is easiest seen with probability predictions in machine-learning classification, including the common species occurrence probabilities. Here, a predicted probability of, say, 0.7 should indicate that out of 100 cases with these environmental conditions, and hence the same predicted probability, the species should be present in 70 and absent in 30.</span><br> <span>Innovation: A simple calibration plot shows that this is not necessarily the case, particularly not for over-fitted models or algorithms that use non-likelihood target functions. As a consequence, "raw" predictions from such model could easily be off by 0.2, are unsuitable for averaging across model types, and resulting maps hence be substantially distorted. The solution, a flexible calibration regression, is simple and can be applied whenever deviations are observed.</span><br> <span>Conclusion: "Raw", uncalibrated probability predictions should be calibrated before interpreting or averaging them in a probabilistic way.</span></p>
MME-only models trained with clean data for JAMES paper "Machine-learned uncertainty quantification is not magic"
<p>This tar file contains all 100 trained models in the MME-only ensemble from Experiment 1 (i.e., those trained with clean data, not with lightly perturbed data). To read one of the models into Python, you can use the method neural_net.read_model in the ml4rt library.</p>
MME-only models trained with lightly perturbed data for JAMES paper "Machine-learned uncertainty quantification is not magic"
<p>This tar file contains all 100 trained models in the MME-only ensemble from Experiment 2 (i.e., those trained with lightly perturbed data). To read one of the models into Python, you can use the method neural_net.read_model in the ml4rt library.</p>
MME/CRPS models trained with clean data for JAMES paper "Machine-learned uncertainty quantification is not magic"
<p>This tar file contains all 100 trained models in the MME/CRPS ensemble from Experiment 1 (i.e., those trained with clean data, not with lightly perturbed data). To pare the ensemble down to 50 models, we randomly select 50. To read one of the models into Python, you can use the method neural_net.read_model in the ml4rt library.</p>
MME/CRPS models trained with lightly perturbed data for JAMES paper "Machine-learned uncertainty quantification is not magic"
<p>This tar file contains all 100 trained models in the MME/CRPS ensemble from Experiment 2 (i.e., those trained with lightly perturbed data). To pare the ensemble down to 50 models, we randomly select 50. To read one of the models into Python, you can use the method neural_net.read_model in the ml4rt library.</p>
Input data and some models (all except multi-model ensembles) for JAMES paper "Machine-learned uncertainty quantification is not magic"
<p>The tar file contains two directories: data and models. Within "data," there are 4 subdirectories: "training" (the clean training data -- without perturbations), "training_all_perturbed_for_uq" (the lightly perturbed training data), "validation_all_perturbed_for_uq" (the moderately perturbed validation data), and "testing_all_perturbed_for_uq" (the heavily perturbed validation data). The data in these directories are unnormalized. The subdirectories "training" and "training_all_perturbed_for_uq" each contain a normalization file. These normalization files contain parameters used to normalize the data (from physical units to z-scores) for Experiment 1 and Experiment 2, respectively. To do the normalization, you can use the script normalize_examples.py in the code library (ml4rt) with the argument input_normalization_file_name set to one of these two file paths. The other arguments should be as follows:</p><p>--uniformize=1</p><p>--predictor_norm_type_string="z_score"</p><p>--vector_target_norm_type_string=""</p><p>--scalar_target_norm_type_string=""</p><p> </p><p>Within the directory "models," there are 6 subdirectories: for the BNN-only models trained with clean and lightly perturbed data, for the CRPS-only models trained with clean and lightly perturbed data, and for the BNN/CRPS models trained with clean and lightly perturbed data. To read the models into Python, you can use the method neural_net.read_model in the ml4rt library.</p>
Research data supporting 'Machine-Learned Interatomic Potentials for Transition Metal Dichalcogenide Mo1−xWxS2−2ySe2y Alloys'
<p>Research data supporting 'Machine-Learned Interatomic Potentials for Transition Metal Dichalcogenide Mo1−xWxS2−2ySe2y Alloys'</p>
Stable Machine-Learning Parameterization of Subgrid Processes in a Comprehensive Atmospheric Model Learned From Embedded Convection-Permitting Simulations: Data and Visualization Notebooks
<p>The data, jupyter notebooks, and saved model weights for the "Stable Machine-Learning Parameterization of Subgrid Processes in a Comprehensive Atmospheric Model Learned From Embedded Convection-Permitting Simulations" Hu et al. (2025) arxiv preprint: <a href="https://arxiv.org/abs/2407.00124">arXiv:2407.00124</a>. This updated version contains more analysis notebooks together with related data/model.</p>
Research data for "A machine-learned interatomic potential for silica and its relation to empirical models"
<p>This dataset supports the paper "A machine-learned interatomic potential for silica and its relation to empirical models". The paper is online here:</p> <p>The following files are provided:</p> <ul> <li>xyz-file containing all structures in the training database including forces and energies</li> <li>GAP file containing the corresponding parameters, which can be used for example for Lammps MD simulations</li> <li>Amorphous structure files for silica created by different interatomic potentials.</li> </ul>
GPUMD: A package for constructing accurate machine-learned potentials and performing highly efficient atomistic simulations
<p>Supplementary data for the paper "GPUMD: A package for constructing accurate machine-learned potentials and performing highly efficient atomistic simulations" by the GPUMD developers.</p>
ScienceDex guides
Understand access before you commit
These curated guides explain access requirements, typical timelines, costs, and reuse considerations for widely used research datasets.
Allen Brain Atlas
Allen Brain Atlas is an Allen Institute collection of brain map atlases, datasets, APIs, and analysis tools covering mouse, human, and non-human primate brain resources.
Annotated Behaviour and Observability Dataset (ABODe)
ABODe is a University of Edinburgh DataShare dataset for behavior classification in group-housed mice using home-cage video, identities, bounding boxes, ground-plate positions, and annotator labels.
DANDI Archive for NWB datasets
DANDI is a BRAIN Initiative archive for publishing and sharing neurophysiology data, including electrophysiology, optophysiology, and behavioral data packaged as NWB and related standards.
International Brain Laboratory public data
The International Brain Laboratory public data releases expose standardized mouse decision-making experiments, including Neuropixels recordings, widefield calcium imaging, behavior, and session metadata accessed through the ONE API.
OpenNeuro
OpenNeuro is a free, open platform for sharing neuroimaging datasets, with public search, dataset pages, and download paths for web, S3, DataLad, and the OpenNeuro CLI.