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Keyword Term: Machine Learning

1 to 10 of 15 Results

Replication Code for: Uncertainty Quantification and Propagation in Surrogate-based Bayesian Inference Mar 14, 2024 - PN 2-7 Reiser, Philipp; Aguilar, Javier Enrique; Guthke, Anneli; Bürkner, Paul-Christian, 2024, "Replication Code for: Uncertainty Quantification and Propagation in Surrogate-based Bayesian Inference", https://doi.org/10.18419/darus-4093, DaRUS, V1 This code allows to replicate key experiments from our paper: Uncertainty Quantification and Propagation in Surrogate-based Bayesian Inference. For further details, please refer to the README.md.
PDEBench Datasets Feb 13, 2024 - SciML PDE Benchmark Takamoto, Makoto; Praditia, Timothy; Leiteritz, Raphael; MacKinlay, Dan; Alesiani, Francesco; Pflüger, Dirk; Niepert, Mathias, 2022, "PDEBench Datasets", https://doi.org/10.18419/darus-2986, DaRUS, V8 This dataset contains benchmark data, generated with numerical simulation based on different PDEs, namely 1D advection, 1D Burgers', 1D and 2D diffusion-reaction, 1D diffusion-sorption, 1D, 2D, and 3D compressible Navier-Stokes, 2D Darcy flow, and 2D shallow water equation. This...
Replication Data for: Constraint-aware neural networks for Riemann problems Jan 11, 2024 - Projects without PN Affiliation Magiera, Jim M., 2024, "Replication Data for: Constraint-aware neural networks for Riemann problems", https://doi.org/10.18419/darus-3869, DaRUS, V1 Data sets of the article "Constraint-aware neural networks for Riemann problems", consisting of training and test data sets for Riemann solutions of the cubic flux model, an isothermal two-phase model, and the Euler equations for an ideal gas. You can find detailed information in...
Data for: Dynamically stabilized phases with full ab initio accuracy: Thermodynamics of Ti, Zr, Hf with a focus on the hcp-bcc transition Dec 14, 2023 - Materials Design Jung, Jong Hyun; Forslund, Axel; Srinivasan, Prashanth; Grabowski, Blazej, 2023, "Data for: Dynamically stabilized phases with full ab initio accuracy: Thermodynamics of Ti, Zr, Hf with a focus on the hcp-bcc transition", https://doi.org/10.18419/darus-3582, DaRUS, V1, UNF:6:PcXLVWUQ0T4geRQy0F0sgg== [fileUNF] Data for the publication, Dynamically stabilized phases with full ab initio accuracy: Thermodynamics of Ti, Zr, Hf with a focus on the hcp-bcc transition, Phys. Rev. B 108, 184107 (2023). This data set contains 1) - the training sets (VASP files), - the low moment-tensor-potentia...
PDEBench Pretrained Models Nov 30, 2023 - SciML PDE Benchmark Takamoto, Makoto; Praditia, Timothy; Leiteritz, Raphael; MacKinlay, Dan; Alesiani, Francesco; Pflüger, Dirk; Niepert, Mathias, 2022, "PDEBench Pretrained Models", https://doi.org/10.18419/darus-2987, DaRUS, V2 This dataset contains the pretrained baseline models, namely FNO, U-Net, and PINN. These models are trained on different PDEs, such as 1D advection, 1D Burgers', 1D and 2D diffusion-reaction, 1D diffusion-sorption, 1D, 2D, and 3D compressible Navier-Stokes, 2D Darcy flow, and 2D...
Supplemental Material for "Visual-Explainable AI: The Use Case of Language Models" Jul 25, 2023 - PN 6-4 Munz-Körner, Tanja; Künzel, Sebastian; Weiskopf, Daniel, 2023, "Supplemental Material for "Visual-Explainable AI: The Use Case of Language Models"", https://doi.org/10.18419/darus-3456, DaRUS, V1 Supplemental material for the poster "Visual-Explainable AI: The Use Case of Language Models" published at the International Conference on Data-Integrated Simulation Science 2023. Collection of videos and images showing our interactive visualization systems for exploring language...
Data for: Performance of two complementary machine-learned potentials in modelling chemically complex systems May 26, 2023 - Materials Design Gubaev, Konstantin; Zaverkin, Viktor; Srinivasan, Prashanth; Duff, Andrew; Kästner, Johannes; Grabowski, Blazej, 2023, "Data for: Performance of two complementary machine-learned potentials in modelling chemically complex systems", https://doi.org/10.18419/darus-3516, DaRUS, V1 Data for the publication "Performance of two complementary machine-learned potentials in modelling chemically complex systems", npj. Comp. Mat. This data set contains the datasets of structures in cfg and npz formats INCAR file which was used for VASP calculations python script f...
Replication Code for: Meta-Uncertainty in Bayesian Model Comparison May 25, 2023 - Data and Code for: Meta-Uncertainty in Bayesian Model Comparison Schmitt, Marvin, 2023, "Replication Code for: Meta-Uncertainty in Bayesian Model Comparison", https://doi.org/10.18419/darus-3514, DaRUS, V1, UNF:6:zUDr3KGdcaDCy+jFtcz8lA== [fileUNF] This dataverse contains the code for the paper Meta-Uncertainty in Bayesian Model Comparison: https://doi.org/10.48550/arXiv.2210.07278 Note that the R code is structured as a package, thus requiring a local installation with subsequent loading via library(MetaUncertaintyPaper)....
Data for: High-accuracy thermodynamic properties to the melting point from ab initio calculations aided by machine-learning potentials Jan 11, 2023 - Materials Design Jung, Jong Hyun; Srinivasan, Prashanth; Forslund, Axel; Grabowski, Blazej, 2023, "Data for: High-accuracy thermodynamic properties to the melting point from ab initio calculations aided by machine-learning potentials", https://doi.org/10.18419/darus-3239, DaRUS, V1 Data for the publication High-accuracy thermodynamic properties to the melting point from ab initio calculations aided by machine-learning potentials, npj Comput. Mater., DOI: 10.1038/s41524-022-00956-8 (2023) This data set contains - the training sets (VASP files), - the low mom...
Replication Data for: Learning Groundwater Contaminant Diffusion-Sorption Processes with a Finite Volume Neural Network Nov 2, 2022 - PN 5-6 Praditia, Timothy; Karlbauer, Matthias; Otte, Sebastian; Oladyshkin, Sergey; Butz, Martin V.; Nowak, Wolfgang, 2022, "Replication Data for: Learning Groundwater Contaminant Diffusion-Sorption Processes with a Finite Volume Neural Network", https://doi.org/10.18419/darus-3249, DaRUS, V1 This dataset contains diffusion-sorption data, generated with numerical simulation based on three different sorption isotherms, namely the linear, Freundlich, and Langmuir isotherms. This dataset is used to train, validate, and test all the deep learning models that are used in t...

Replication Code for: Uncertainty Quantification and Propagation in Surrogate-based Bayesian Inference

Mar 14, 2024 - PN 2-7

Reiser, Philipp; Aguilar, Javier Enrique; Guthke, Anneli; Bürkner, Paul-Christian, 2024, "Replication Code for: Uncertainty Quantification and Propagation in Surrogate-based Bayesian Inference", https://doi.org/10.18419/darus-4093, DaRUS, V1

This code allows to replicate key experiments from our paper: Uncertainty Quantification and Propagation in Surrogate-based Bayesian Inference. For further details, please refer to the README.md.

PDEBench Datasets

Feb 13, 2024 - SciML PDE Benchmark

Takamoto, Makoto; Praditia, Timothy; Leiteritz, Raphael; MacKinlay, Dan; Alesiani, Francesco; Pflüger, Dirk; Niepert, Mathias, 2022, "PDEBench Datasets", https://doi.org/10.18419/darus-2986, DaRUS, V8

This dataset contains benchmark data, generated with numerical simulation based on different PDEs, namely 1D advection, 1D Burgers', 1D and 2D diffusion-reaction, 1D diffusion-sorption, 1D, 2D, and 3D compressible Navier-Stokes, 2D Darcy flow, and 2D shallow water equation. This...

Replication Data for: Constraint-aware neural networks for Riemann problems

Jan 11, 2024 - Projects without PN Affiliation

Magiera, Jim M., 2024, "Replication Data for: Constraint-aware neural networks for Riemann problems", https://doi.org/10.18419/darus-3869, DaRUS, V1

Data sets of the article "Constraint-aware neural networks for Riemann problems", consisting of training and test data sets for Riemann solutions of the cubic flux model, an isothermal two-phase model, and the Euler equations for an ideal gas. You can find detailed information in...

Data for: Dynamically stabilized phases with full ab initio accuracy: Thermodynamics of Ti, Zr, Hf with a focus on the hcp-bcc transition

Dec 14, 2023 - Materials Design

Jung, Jong Hyun; Forslund, Axel; Srinivasan, Prashanth; Grabowski, Blazej, 2023, "Data for: Dynamically stabilized phases with full ab initio accuracy: Thermodynamics of Ti, Zr, Hf with a focus on the hcp-bcc transition", https://doi.org/10.18419/darus-3582, DaRUS, V1, UNF:6:PcXLVWUQ0T4geRQy0F0sgg== [fileUNF]

Data for the publication, Dynamically stabilized phases with full ab initio accuracy: Thermodynamics of Ti, Zr, Hf with a focus on the hcp-bcc transition, Phys. Rev. B 108, 184107 (2023). This data set contains 1) - the training sets (VASP files), - the low moment-tensor-potentia...

PDEBench Pretrained Models

Nov 30, 2023 - SciML PDE Benchmark

Takamoto, Makoto; Praditia, Timothy; Leiteritz, Raphael; MacKinlay, Dan; Alesiani, Francesco; Pflüger, Dirk; Niepert, Mathias, 2022, "PDEBench Pretrained Models", https://doi.org/10.18419/darus-2987, DaRUS, V2

This dataset contains the pretrained baseline models, namely FNO, U-Net, and PINN. These models are trained on different PDEs, such as 1D advection, 1D Burgers', 1D and 2D diffusion-reaction, 1D diffusion-sorption, 1D, 2D, and 3D compressible Navier-Stokes, 2D Darcy flow, and 2D...

Supplemental Material for "Visual-Explainable AI: The Use Case of Language Models"

Jul 25, 2023 - PN 6-4

Munz-Körner, Tanja; Künzel, Sebastian; Weiskopf, Daniel, 2023, "Supplemental Material for "Visual-Explainable AI: The Use Case of Language Models"", https://doi.org/10.18419/darus-3456, DaRUS, V1

Supplemental material for the poster "Visual-Explainable AI: The Use Case of Language Models" published at the International Conference on Data-Integrated Simulation Science 2023. Collection of videos and images showing our interactive visualization systems for exploring language...

Data for: Performance of two complementary machine-learned potentials in modelling chemically complex systems

May 26, 2023 - Materials Design

Gubaev, Konstantin; Zaverkin, Viktor; Srinivasan, Prashanth; Duff, Andrew; Kästner, Johannes; Grabowski, Blazej, 2023, "Data for: Performance of two complementary machine-learned potentials in modelling chemically complex systems", https://doi.org/10.18419/darus-3516, DaRUS, V1

Data for the publication "Performance of two complementary machine-learned potentials in modelling chemically complex systems", npj. Comp. Mat. This data set contains the datasets of structures in cfg and npz formats INCAR file which was used for VASP calculations python script f...

Replication Code for: Meta-Uncertainty in Bayesian Model Comparison

May 25, 2023 - Data and Code for: Meta-Uncertainty in Bayesian Model Comparison

Schmitt, Marvin, 2023, "Replication Code for: Meta-Uncertainty in Bayesian Model Comparison", https://doi.org/10.18419/darus-3514, DaRUS, V1, UNF:6:zUDr3KGdcaDCy+jFtcz8lA== [fileUNF]

This dataverse contains the code for the paper Meta-Uncertainty in Bayesian Model Comparison: https://doi.org/10.48550/arXiv.2210.07278 Note that the R code is structured as a package, thus requiring a local installation with subsequent loading via library(MetaUncertaintyPaper)....

Data for: High-accuracy thermodynamic properties to the melting point from ab initio calculations aided by machine-learning potentials

Jan 11, 2023 - Materials Design

Jung, Jong Hyun; Srinivasan, Prashanth; Forslund, Axel; Grabowski, Blazej, 2023, "Data for: High-accuracy thermodynamic properties to the melting point from ab initio calculations aided by machine-learning potentials", https://doi.org/10.18419/darus-3239, DaRUS, V1

Data for the publication High-accuracy thermodynamic properties to the melting point from ab initio calculations aided by machine-learning potentials, npj Comput. Mater., DOI: 10.1038/s41524-022-00956-8 (2023) This data set contains - the training sets (VASP files), - the low mom...

Replication Data for: Learning Groundwater Contaminant Diffusion-Sorption Processes with a Finite Volume Neural Network

Nov 2, 2022 - PN 5-6

Praditia, Timothy; Karlbauer, Matthias; Otte, Sebastian; Oladyshkin, Sergey; Butz, Martin V.; Nowak, Wolfgang, 2022, "Replication Data for: Learning Groundwater Contaminant Diffusion-Sorption Processes with a Finite Volume Neural Network", https://doi.org/10.18419/darus-3249, DaRUS, V1

This dataset contains diffusion-sorption data, generated with numerical simulation based on three different sorption isotherms, namely the linear, Freundlich, and Langmuir isotherms. This dataset is used to train, validate, and test all the deep learning models that are used in t...

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