Stuttgart Center for Simulation Science (SC SimTech)

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Deposit Date: 2021

11 to 20 of 23 Results

Code for: Fast and Sample-Efficient Interatomic Neural Network Potentials for Molecules and Materials Based on Gaussian Moments Oct 15, 2021 - PN 6 Zaverkin, Viktor; Holzmüller, David; Steinwart, Ingo; Kästner, Johannes, 2021, "Code for: Fast and Sample-Efficient Interatomic Neural Network Potentials for Molecules and Materials Based on Gaussian Moments", https://doi.org/10.18419/darus-2136, DaRUS, V1 Code and documentation for the improved Gaussian Moments Neural Network (GM-NN). An updated version can be found on GitLab
Replication Data for: "S4: Self-Supervised learning of Spatiotemporal Similarity" Oct 5, 2021 - PN 6-6 Tkachev, Gleb, 2021, "Replication Data for: "S4: Self-Supervised learning of Spatiotemporal Similarity"", https://doi.org/10.18419/darus-2174, DaRUS, V1 We train a self-supervised siamese model that enables querying for similar behavior on spatiotemporal volumes. Here we provide the code and data needed to reproduce the representative figures of the paper. See the notes and the included readme file for details.
preCICE Distribution Version v2104.0 Sep 27, 2021 - Usability and Sustainability of Simulation Software Chourdakis, Gerasimos; Davis, Kyle; Rodenberg, Benjamin; Schulte, Miriam; Simonis, Frédéric; Uekermann, Benjamin; Abrams, Georg; Bungartz, Hans-Joachim; Cheun Yau, Lucia; Desai, Ishaan; Eder, Konrad; Hertrich, Richard; Lindner, Florian; Rusch, Alexander; Sashko, Dmytro; Schneider, David; Totounferoush, Amin; Volland, Dominik; Vollmer, Peter; Ziya Koseomur, Oguz, 2021, "preCICE Distribution Version v2104.0", https://doi.org/10.18419/darus-2125, DaRUS, V1 The preCICE distribution is the larger ecosystem around preCICE, which includes the core library, language bindings, adapters for popular solvers, tutorials, and vagrant files to prepare a virtual machine image. The compressed source files of this data set are only meant to archi...
Visual Analytics System for Hidden States in Recurrent Neural Networks Sep 10, 2021 - PN 6-4 Munz, Tanja; Garcia, Rafael; Weiskopf, Daniel, 2021, "Visual Analytics System for Hidden States in Recurrent Neural Networks", https://doi.org/10.18419/darus-2052, DaRUS, V1 Source code of our visual analytics system for the interpretation of hidden states in recurrent neural networks. This project contains source code for preprocessing data and the visual analytics system. Additionally, we added precomputed data for immediate use in the visual analy...
Simulation input scripts for "Electronic screening using a virtual Thomas-Fermi fluid for predicting wetting and phase transitions of ionic liquids at metal surfaces" Aug 20, 2021 - Paper Nature Materials 2021 Schlaich, Alexander, 2021, "Simulation input scripts for "Electronic screening using a virtual Thomas-Fermi fluid for predicting wetting and phase transitions of ionic liquids at metal surfaces"", https://doi.org/10.18419/darus-2115, DaRUS, V1 This dataset includes the basic simulation scripts needed in order to reproduce the data shown in "Electronic screening using a virtual Thomas-Fermi fluid for predicting wetting and phase transitions of ionic liquids at metal surfaces". The folder structure corresponds to the ind...
Sampling Strategies of the Regime-and-memory model (RMM) Jun 24, 2021 - CAMPOS Project P8: Conceptual Model Uncertainty Gonzalez-Nicolas Alvarez, Ana, 2021, "Sampling Strategies of the Regime-and-memory model (RMM)", https://doi.org/10.18419/darus-2035, DaRUS, V1, UNF:6:JeAvfovoq369qtbASSmQjg== [fileUNF] This excel file includes the observation time, Q, concentration, and lag-time used by the sampling strategies. Types of sampling strategies: Time frequency sampling strategies. River discharge frequency sampling strategies. Low Q sampling strategies. High Q sampling strategies. L...
Regime-and-memory model (RMM) Code Jun 24, 2021 - CAMPOS Project P8: Conceptual Model Uncertainty Gonzalez-Nicolas Alvarez, Ana, 2021, "Regime-and-memory model (RMM) Code", https://doi.org/10.18419/darus-2034, DaRUS, V1 We introduce a simple stochastic time-series model (regime-and-memory model, RMM) for concentrations in the river that accounts for fluctuating release and transport with memory, using an autocorrelation over time.One explicit parameter of our model represents the export regime....
Replication Data for: Overcoming the model-data-fit problem in porous media: A quantitative method to compare invasion-percolation models to high-resolution data Jun 18, 2021 - Modeling Strategies for Gas migration in Subsurface Banerjee, Ishani, 2021, "Replication Data for: Overcoming the model-data-fit problem in porous media: A quantitative method to compare invasion-percolation models to high-resolution data", https://doi.org/10.18419/darus-1776, DaRUS, V1 This dataset contains modeling data used to obtain the results and figures in the manuscript: "Overcoming the model-data-fit problem in porous media: A quantitative method to compare invasion-percolation models to high-resolution data." In particular, the model realization data a...
NMTVis - Trained Models for our Visual Analytics System May 26, 2021 - PN 6-4 Munz, Tanja; Väth, Dirk; Kuznecov, Paul; Vu, Ngoc Thang; Weiskopf, Daniel, 2021, "NMTVis - Trained Models for our Visual Analytics System", https://doi.org/10.18419/darus-1850, DaRUS, V1 Trained models and vocabulary files for the use in our visual analytics system NMTVis. There are models for German to English and vice versa available for an LSTM-based and the Transformer architecture.
NMTVis - Neural Machine Translation Visualization System May 26, 2021 - PN 6-4 Munz, Tanja; Väth, Dirk; Kuznecov, Paul; Vu, Ngoc Thang; Weiskopf, Daniel, 2021, "NMTVis - Neural Machine Translation Visualization System", https://doi.org/10.18419/darus-1849, DaRUS, V1 NMTVis is a web-based visual analytics system to analyze, understand, and correct translations generated with neural machine translation. First, a document can be translated using a neural machine translation model (we support an LSTM-based and the Transformer architecture). Afte...

Code for: Fast and Sample-Efficient Interatomic Neural Network Potentials for Molecules and Materials Based on Gaussian Moments

Oct 15, 2021 - PN 6

Zaverkin, Viktor; Holzmüller, David; Steinwart, Ingo; Kästner, Johannes, 2021, "Code for: Fast and Sample-Efficient Interatomic Neural Network Potentials for Molecules and Materials Based on Gaussian Moments", https://doi.org/10.18419/darus-2136, DaRUS, V1

Code and documentation for the improved Gaussian Moments Neural Network (GM-NN). An updated version can be found on GitLab

Replication Data for: "S4: Self-Supervised learning of Spatiotemporal Similarity"

Oct 5, 2021 - PN 6-6

Tkachev, Gleb, 2021, "Replication Data for: "S4: Self-Supervised learning of Spatiotemporal Similarity"", https://doi.org/10.18419/darus-2174, DaRUS, V1

We train a self-supervised siamese model that enables querying for similar behavior on spatiotemporal volumes. Here we provide the code and data needed to reproduce the representative figures of the paper. See the notes and the included readme file for details.

preCICE Distribution Version v2104.0

Sep 27, 2021 - Usability and Sustainability of Simulation Software

Chourdakis, Gerasimos; Davis, Kyle; Rodenberg, Benjamin; Schulte, Miriam; Simonis, Frédéric; Uekermann, Benjamin; Abrams, Georg; Bungartz, Hans-Joachim; Cheun Yau, Lucia; Desai, Ishaan; Eder, Konrad; Hertrich, Richard; Lindner, Florian; Rusch, Alexander; Sashko, Dmytro; Schneider, David; Totounferoush, Amin; Volland, Dominik; Vollmer, Peter; Ziya Koseomur, Oguz, 2021, "preCICE Distribution Version v2104.0", https://doi.org/10.18419/darus-2125, DaRUS, V1

The preCICE distribution is the larger ecosystem around preCICE, which includes the core library, language bindings, adapters for popular solvers, tutorials, and vagrant files to prepare a virtual machine image. The compressed source files of this data set are only meant to archi...

Visual Analytics System for Hidden States in Recurrent Neural Networks

Sep 10, 2021 - PN 6-4

Munz, Tanja; Garcia, Rafael; Weiskopf, Daniel, 2021, "Visual Analytics System for Hidden States in Recurrent Neural Networks", https://doi.org/10.18419/darus-2052, DaRUS, V1

Source code of our visual analytics system for the interpretation of hidden states in recurrent neural networks. This project contains source code for preprocessing data and the visual analytics system. Additionally, we added precomputed data for immediate use in the visual analy...

Simulation input scripts for "Electronic screening using a virtual Thomas-Fermi fluid for predicting wetting and phase transitions of ionic liquids at metal surfaces"

Aug 20, 2021 - Paper Nature Materials 2021

Schlaich, Alexander, 2021, "Simulation input scripts for "Electronic screening using a virtual Thomas-Fermi fluid for predicting wetting and phase transitions of ionic liquids at metal surfaces"", https://doi.org/10.18419/darus-2115, DaRUS, V1

This dataset includes the basic simulation scripts needed in order to reproduce the data shown in "Electronic screening using a virtual Thomas-Fermi fluid for predicting wetting and phase transitions of ionic liquids at metal surfaces". The folder structure corresponds to the ind...

Sampling Strategies of the Regime-and-memory model (RMM)

Jun 24, 2021 - CAMPOS Project P8: Conceptual Model Uncertainty

Gonzalez-Nicolas Alvarez, Ana, 2021, "Sampling Strategies of the Regime-and-memory model (RMM)", https://doi.org/10.18419/darus-2035, DaRUS, V1, UNF:6:JeAvfovoq369qtbASSmQjg== [fileUNF]

This excel file includes the observation time, Q, concentration, and lag-time used by the sampling strategies. Types of sampling strategies: Time frequency sampling strategies. River discharge frequency sampling strategies. Low Q sampling strategies. High Q sampling strategies. L...

Regime-and-memory model (RMM) Code

Jun 24, 2021 - CAMPOS Project P8: Conceptual Model Uncertainty

Gonzalez-Nicolas Alvarez, Ana, 2021, "Regime-and-memory model (RMM) Code", https://doi.org/10.18419/darus-2034, DaRUS, V1

We introduce a simple stochastic time-series model (regime-and-memory model, RMM) for concentrations in the river that accounts for fluctuating release and transport with memory, using an autocorrelation over time.One explicit parameter of our model represents the export regime....

Replication Data for: Overcoming the model-data-fit problem in porous media: A quantitative method to compare invasion-percolation models to high-resolution data

Jun 18, 2021 - Modeling Strategies for Gas migration in Subsurface

Banerjee, Ishani, 2021, "Replication Data for: Overcoming the model-data-fit problem in porous media: A quantitative method to compare invasion-percolation models to high-resolution data", https://doi.org/10.18419/darus-1776, DaRUS, V1

This dataset contains modeling data used to obtain the results and figures in the manuscript: "Overcoming the model-data-fit problem in porous media: A quantitative method to compare invasion-percolation models to high-resolution data." In particular, the model realization data a...

NMTVis - Trained Models for our Visual Analytics System

May 26, 2021 - PN 6-4

Munz, Tanja; Väth, Dirk; Kuznecov, Paul; Vu, Ngoc Thang; Weiskopf, Daniel, 2021, "NMTVis - Trained Models for our Visual Analytics System", https://doi.org/10.18419/darus-1850, DaRUS, V1

Trained models and vocabulary files for the use in our visual analytics system NMTVis. There are models for German to English and vice versa available for an LSTM-based and the Transformer architecture.

NMTVis - Neural Machine Translation Visualization System

May 26, 2021 - PN 6-4

Munz, Tanja; Väth, Dirk; Kuznecov, Paul; Vu, Ngoc Thang; Weiskopf, Daniel, 2021, "NMTVis - Neural Machine Translation Visualization System", https://doi.org/10.18419/darus-1849, DaRUS, V1

NMTVis is a web-based visual analytics system to analyze, understand, and correct translations generated with neural machine translation. First, a document can be translated using a neural machine translation model (we support an LSTM-based and the Transformer architecture). Afte...

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