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849 results for “linear”
The linear systems used for benchmarks at https://github.com/ddemidov/cppstokes_benchmarks
<p>The linear systems used for performance benchmarks at https://github.com/ddemidov/cppstokes_benchmarks.</p> <p>The files correspond to the Stokes equation discretized for 3 different cases:</p> <ul> <li>Unit cube problem (ucube). A rotating flow driven by an external force f in a closed unit cube.</li> <li>Converging-diverging tube problem (cdtube). Pressure-driven tube flow through a 3D converging-diverging tube under a pressure drop of 1Pa.</li> <li>Sphere packing problem (spack). A complex sphere packing flow problem with non-uniform cell size distribution and large cell size contrast.</li> </ul> <p>Each problem contains the system matrix (A.bin), the RHS vector (b.bin), and the text file containing the number of DOFs corresponding to the velocity field (u.txt) for 6 to 7 different problem sizes.</p>
The linear dispersion relation of the electrostatic waves in magnetized anisotropic dysty plasma
<p>The linear and weakly nonlinear dust-ion-acoustic wave propagation obliquely with respect to an external magnetic field is studied in magnetized dusty plasma, which consists of magnetized fluid ions bearing with anisotropic pressure, suprathermal electrons, and static dust grains. In the linear regime, the magnetized dusty plasma supports the propagation of fast dust-ion-cyclotron (EDIC) mode and the slow electrostatic dust-ion-acoustic (DIA) mode.</p>
Data from: Non-linear effects of phenological shifts link inter-annual variation to species interactions
1. The vast majority of species interactions are seasonally structured and depend on species' relative phenologies. However, differences in the phenologies of species naturally vary across years and are altered by ongoing climate change around the world. 2. By combining experiments that shifted the relative hatching of two competing tadpole species across a productivity gradient with simulations of inter-annual variation in arrival times I tested how phenological variation across years can alter the strength and outcome of interspecific competition. 3. Shifting the relative timing of hatching (phenology) of a species fundamentally altered interspecific competition, and the effect of shifting the timing on competition was highly non-linear for most demographic rates. Furthemore, this relationship varied with productivity of the system. As a consequence, (i) shifts in relative timing of phenologies had small or large effects depending on the average natural timing of interactions, and (ii) changes in the inter-annual variation in onset of interaction alone can alter species interactions in simulations even when mean phenologies (timing) remain unchanged across years. 4. Traditionally, studies on phenologies focus on directional shifts in the mean of phenologies, but our results suggest that we also need to consider inter-annual variation in phenologies of interacting species to predict dynamics of natural communities and how they will be modified by climate change.
Data from: Non-linear effect of sea ice: Spectacled Eider survival declines at both extremes of the ice spectrum
Understanding the relationship between environmental factors and vital rates is an important step in predicting a species' response to environmental change. Species associated with sea ice are of particular concern because sea ice is projected to decrease rapidly in polar environments with continued levels of greenhouse gas emissions. The relationship between sea ice and the vital rates of the Spectacled Eider, a threatened species that breeds in Alaska and Russia and winters in the Bering Sea, appears to be complex. While severe ice can impede foraging for benthic prey, ice also suppresses wave action and provides a platform on which eiders roost, thereby reducing thermoregulation costs. We analyzed a 23-year mark-recapture dataset for Spectacled Eiders nesting on Kigigak Island in western Alaska, and tested survival models containing different ice and weather-related covariates. We found that much of the variation in eider survival could be explained by the number of days per year with >95% sea ice concentration at the Bering Sea core wintering area. Furthermore, the data supported a quadratic relationship with sea ice rather than a linear one, indicating that intermediate sea ice concentrations were optimal for survival. We then used matrix population models to project population trajectories using General Circulation Model (GCM) outputs of daily sea ice cover. GCMs projected reduced sea ice at the wintering area by year 2100 under a moderated emissions scenario (RCP 4.5) and nearly ice-free conditions under an unabated emissions scenario (RCP 8.5). Under RCP 4.5, stochastic models projected an increase in population size until 2069 coincident with moderate ice conditions, followed by a decline in population size as ice conditions shifted from intermediate to mostly ice-free. Under RCP 8.5, eider abundance increased until 2040 and then decreased to near extirpation toward the end of the century as the Bering Sea became ice-free.
Mucklaghs - Linear Earthworks
(S) RO021-042016- (N)RO021-042015- Linear earthworks which are part of the larger landsacpe of Rathcroghan. There are number of assocaited featers and a possible neolithic hourse within the area. Source: Objaverse 1.0 / Sketchfab
Supporting data for: A linear response, DFT+U study of trends in the oxygen evolution activity of transition metal rutile dioxides
<p>This directory contains all of the finished calculations required for fully analysis of the paper "A linear response, DFT+U study of trends in the oxygen evolution activity of transition metal rutile dioxides" by Zhongnan Xu, Jan Rossmeisl, and John R Kitchin. To use this repository, download the supporting information file and run the scripts present in either 'supporting-information.pdf' or 'supporting-information.org'.</p> <p>The is the release of the supporting data before the first submission to the first journal.</p>
Research Data supporting "Linear-Scaling Density Functional Theory using the Projector Augmented Wave Method"
<p>Research Data supporting "Linear-Scaling Density Functional Theory using the Projector Augmented Wave Method" by Nicholas D. M. Hine</p>
Hybrid dynamic model for shape memory alloy linear and unimorph actuators
<p>Shape memory alloy morphing actuators are a type of soft actuator with many attractive properties. These actuators exhibit large deformation, small form factor, self-sense ability, and physical reservoir computing potential, while also being inexpensive. These morphing actuators are composed of active shape memory alloy wires and a passive base layer that is used to magnify the overall deflection. Although morphing actuators have great potential, the modeling of shape memory alloy actuators is difficult due to both shape memory alloy characteristics and the nonlinearity of the passive layer. Here, a hybrid dynamical model is proposed that couples the phase kinetics & thermal modeling for the shape memory alloy with a dynamic Cosserat nonlinear beam model. This hybrid model is benchmarked against linear and morphing experimental actuators. The model resulted in a root mean squared error of 1.48 mm and 1.63 mm for the morphing actuator configuration for two different actuators. This model can expand the capability and design of novel morphing actuators for a designed deformation profile for use in soft robotics.</p>
Dataset: Neutron star properties with careful parameterization in the (axial)vector meson extended linear sigma model
<p>Codes and figures for the paper: Neutron star properties with careful parameterization in the (axial)vector meson extended linear sigma model</p>
MATLAB scripts and raw experimental data for the paper "Optimizing measurements of linear changes of NMR signal parameters" by Javier Agustin Romero, Krzysztof Kazimierczuk and Paweł Kasprzak
<p>Classical_fit.m - Comparison of simulation results and theoretical predictions for the linear fit of the resonance frequencies. </p> <p>Radon_transform - the same, but using Radon transform to determine linear coefficients.</p> <p>Amplitude.m - Comparison of errors of the linear coefficients for varying amplitude fit in simulations and theory.</p> <p>process_measurements.m - script to process experimental data (caffeine peak at 7.90 ppm). The data are stored in real.mat and imag.mat</p> <p>For the details of theoretical formulas, see the paper "Optimizing measurements of linear changes of NMR signal parameters" by Javier Agustin Romero, Krzysztof Kazimierczuk, and Paweł Kasprzak. The scripts were used to generate Figures in the paper.</p>
Radial Meets Linear Field
Four Sport Scenarios, Giancarlo Mazzanti, 2010 Kimbell Art Museum, Louis Kahn, 1972 National Assembly Building of Bangladesh, Louis Kahn, 1982 Source: Objaverse 1.0 / Sketchfab
Data of "Self-consistency Reinforced minimal Gated Recurrent Unit for surrogate modeling of history-dependent non-linear problems: application to history-dependent homogenized response of heterogeneous materials"
<h1>Development of the Self-Consistency reinforced Minimum Recurrent Unit (SC-MRU)</h1> <p>This directory contains the data and algorithms generated in publication<sup><a href="#fn-1-5292">1</a></sup></p> <h2>Table of Contents</h2> <ol> <li><a href="#dependencies-and-prerequisites">Dependencies and Prerequisites</a></li> <li><a href="#structure-of-repository">Structure of Repository</a></li> <li><a href="#part-1-data-preparation">Part 1: Data preparation</a></li> <li><a href="#part-2-rnn-training">Part 2: RNN training</a></li> <li><a href="#part-3-multiscale-analysis">Part 3: Multiscale analysis</a></li> <li><a href="#part-4-reproduce-paper1-figures">Part 4: Reproduce paper[^1] figures</a></li> </ol> <h2>Dependencies and Prerequisites</h2> <p> </p> <ul> <li> <p>Python, pandas, matplotlib, texttabble and latextable are pre requisites for visualizing and navigating the data.</p> </li> <li> <p>For generating mesh and for vizualization, gmsh (<a href="http://www.gmsh.info" target="_blank" rel="nofollow noreferrer noopener">www.gmsh.info</a>) is required.</p> </li> <li> <p>For running simulations, cm3Libraries (<a href="http://www.ltas-cm3.ulg.ac.be/openSource.htm" target="_blank" rel="nofollow noreferrer noopener">http://www.ltas-cm3.ulg.ac.be/openSource.htm</a>) is required.</p> </li> </ul> <h3>Instructions using apt & pip3 package manager</h3> <p>Instructions for Debian/Ubuntu based workstations are as follows.</p> <h3>python, pandas and dependencies</h3> <div> <pre><code> sudo apt install python3 python3-scipy libpython3-dev python3-numpy python3-pandas</code></pre> </div> <h3>matplotlib, texttabble and latextable</h3> <div> <pre><code> pip3 install matplotlib texttable latextable</code></pre> </div> <h3>Pytorch (only for run with cm3Libraries)</h3> <ul> <li>Without GPU</li> </ul> <div> <pre><code> pip3 install torch torchvision torchaudio --index-url https://download.pytorch.org/whl/cpu</code></pre> </div> <ul> <li>With GPU</li> </ul> <div> <pre><code> pip3 install torch torchvision torchaudio</code></pre> </div> <h3>Libtorch (for compiling the cells)</h3> <ul> <li>Without GPU: In a local directory (e.g. <code>~/local</code> with <code>export TORCHDIR=$HOME/local/libtorch</code>)</li> </ul> <div> <pre><code> wget https://download.pytorch.org/libtorch/cpu/libtorch-shared-with-deps-2.1.1%2Bcpu.zip unzip libtorch-shared-with-deps-2.1.1%2Bcpu.zip</code></pre> </div> <ul> <li>With GPU: In a local directory (e.g. <code>~/local</code> with <code>export TORCHDIR=$HOME/local/libtorch</code>)</li> </ul> <div> <pre><code> wget https://download.pytorch.org/libtorch/cu121/libtorch-shared-with-deps-2.1.1%2Bcu121.zip unzip libtorch-shared-with-deps-2.1.1+cu121.zip</code></pre> </div> <h2>Structure of Repository</h2> <ul> <li><a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/tree/main/All_Path_Res">All_Path_Res</a>: results of the direct numerical simulations used as training and testing data, see details in <a href="#part-1-data-preparation">Part 1: Data preparation</a>.</li> <li><a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/tree/main/ConstRVE">ConstRVE</a>: script to run direct numerical finite element simulations, see details in <a href="#part-1-data-preparation">Part 1: Data preparation</a>.</li> <li><a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/tree/main/MultiScale">MultiScale</a>: scripts to run and visualise the multiscale analyses, see details in <a href="#part-3-multiscale-analysis">Part 3: Multiscale analysis</a>.</li> <li><a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/tree/main/SC_MRU">SC_MRU</a>: implementation of the RNN and scripts to train them, see details in <a href="#part-2-rnn-training">Part 2: RNN training</a>.</li> <li><a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/tree/main/TrainingData">TrainingData</a>: scripts to collect, normalise and truncate the RVEs direct simulation results as training and testing data, see details in <a href="#part-1-data-preparation">Part 1: Data preparation</a>. The director also contained the storred processed data used in <sup><a href="#fn-1">1</a></sup>.</li> <li><a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/tree/main/TrainingPaths">TrainingPaths</a>: scripts to generate the different loading paths for the direct numerical simulations used as training and testing data, see details in <a href="#part-1-data-preparation">Part 1: Data preparation</a>.</li> </ul> <h2>Part 1: Data preparation</h2> <h3>Generate the loading paths</h3> <ul> <li><a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/blob/main/TrainingPaths/testGenerationData.py">TrainingPaths/testGenerationData.py</a> is used to generate random walk paths, with the options <ul> <li><code>Rmax = 0.11</code> # bound on the final Green Lagrange strain</li> <li><code>TimeStep = 1.</code> # in second</li> <li><code>EvalStep = [1e-4,5e-3]</code> #Bounds on the Green Lagrange increments</li> <li><code>Nmax = 2500</code> #maximum length of the sequence</li> <li><code>k = 4000</code> # number of path to generate</li> <li>The path are storred by default in <a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/blob/main/ConstRVE/Paths">ConstRVE/Paths/</a>. The path has to be existing before launching the script. You can change the name in line 123 <code>saveDir = '../ConstRVE'+'/Paths/'</code>.</li> <li>Examples of generated paths can be found in <a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/tree/main/ConstRVE/PathsExamples">ConstRVE/PathsExamples/</a></li> <li>The command to be run from the directory <a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/tree/main/TrainingPaths">TrainingPaths</a> is</li> </ul> </li> </ul> <div> <pre><code>(mkdir ../ConstRVE/Paths) #if needed python3 testGenerationData.py</code></pre> </div> <ul> <li><a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/blob/main/TrainingPaths/generationData_Cyclic.py">TrainingPaths/generationData_Cyclic.py</a> is used to generate random cylic paths, with the options <ul> <li><code>Rmax = [np.random.uniform(0.,0.04),np.random.uniform(0.,0.06),np.random.uniform(0.0,0.09),0.12]</code> # bound on the final Green Lagrange strain is random</li> <li><code>TimeStep = 1.</code> # in second</li> <li><code>EvalStep = [1e-4,5e-3]</code> #Bounds on the Green Lagrange increments</li> <li><code>Nmax = 2500</code> #maximum length of the sequence</li> <li><code>k = 2000</code> # number of path to generate</li> <li>The path are stored by default in <a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/blob/main/ConstRVE/Paths">ConstRVE/Paths/</a>. You can change the name in line 123 <code>saveDir = '../ConstRVE'+'/Paths/'</code>.</li> <li>The command to be run from the directory <a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/tree/main/TrainingPaths">TrainingPaths</a> is</li> </ul> </li> </ul> <div> <pre><code>(mkdir ../ConstRVE/Paths) #if needed python3 generationData_Cyclic.py</code></pre> </div> <ul> <li><a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/blob/main/TrainingPaths/countPathLength.py">TrainingPaths/countPathLength.py</a> gives average, minimum and maximum lengths of the generated paths and the distribution of the <code>\Delta R</code>. By default the paths are read in <a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/blob/main/ConstRVE/Paths">ConstRVE/Paths/</a> but the directory can be given as an argument. The file can be used to read <ul> <li>either the generated loading paths</li> </ul> </li> </ul> <div> <pre><code> python3 countPathLength.py '../ConstRVE/PathsExamples'</code></pre> </div> <ul> <li> <ul> <li>or the results of the <a href="#generate-the-rves-direct-simulation-results">simulations</a></li> </ul> </li> </ul> <div> <pre><code> python3 countPathLength.py '../All_Path_Res/Path_Res9'</code></pre> </div> <ul> <li><a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/blob/main/TrainingPaths/graphData.py">TrainingPaths/graphData.py</a> generates illustrations from randomly picked paths in <a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/blob/main/ConstRVE/Paths">ConstRVE/Paths/</a> and generate png figures.</li> </ul> <h3>Generate the RVEs direct simulation results</h3> <ul> <li>Uses the loading paths existing in <a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/blob/main/ConstRVE/Paths">ConstRVE/Paths/</a>.</li> <li><a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/blob/main/ConstRVE/rve.geo">ConstRVE/rve.geo</a> is the RVE geometry file that can be read by gmsh (<a href="http://www.gmsh.info" target="_blank" rel="nofollow noreferrer noopener">www.gmsh.info</a>).</li> <li><a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/blob/main/ConstRVE/rve.msh">ConstRVE/rve.msh</a> is the RVE mesh file that can be read by gmsh (<a href="http://www.gmsh.info" target="_blank" rel="nofollow noreferrer noopener">www.gmsh.info</a>).</li> <li><a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/blob/main/ConstRVE/utilsFunc.py">ConstRVE/utilsFunc.py</a> contains python tools to be used.</li> <li><a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/blob/main/ConstRVE/Rve_withoutInternalVars.py">ConstRVE/Rve_withoutInternalVars.py</a> is used to run all the RVE simulations: <ul> <li>This requires cm3Libraries (<a href="http://www.ltas-cm3.ulg.ac.be/openSource.htm" target="_blank" rel="nofollow noreferrer noopener">http://www.ltas-cm3.ulg.ac.be/openSource.htm</a>).</li> <li>All the ouptus are stored in <code>All_Path_Res/Path_Res12</code>, you can change the name in line 71 <code>Path_Res = '../All_Path_Res/Path_Res12/'</code>. The results of RVE simulations are saved as the sequence (one configuration per line) of the Green-Lagrange strains and Second Piola-Kirchhoff stress (in column). One example can be found in <a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/blob/main/All_Path_Res/Path_Res1/data_path1000.csv">All_Path_Res/Path_Res1/data_path1000.csv</a>.</li> <li>The command to be run from <a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/tree/main/ConstRVE">ConstRVE</a> directory is</li> </ul> </li> </ul> <div> <pre><code> python3 Rve_withoutInternalVars.py</code></pre> </div> <h3>Collect, normalised and truncate the RVEs direct simulation results as training and testing data</h3> <ul> <li><a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/blob/main/TrainingData/CheckNanData.py">TrainingData/CheckNanData.py</a> is used to check the integrity of the direct numerical simulations results <ul> <li>DNS results are read from <a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/blob/main/All_Path_Res/Path_res1">All_Path_Res/Path_res1</a> to <a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/blob/main/All_Path_Res/Path_res11">All_Path_Res/Path_res11</a> subdirectories.</li> <li>The command to be run from <a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/tree/main/TrainingData">TrainingData</a> directory is</li> </ul> </li> </ul> <div> <pre><code> python3 CheckNanData.py</code></pre> </div> <ul> <li><a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/blob/main/TrainingData/CollectData.py">TrainingData/CollectData.py</a> is used to gather all the direct numerical simulations results <ul> <li>DNS results are read from <a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/blob/main/All_Path_Res/Path_res1">All_Path_Res/Path_res1</a> to <a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/blob/main/All_Path_Res/Path_res11">All_Path_Res/Path_res11</a> subdirectories. It can be changed in line 31 <code>for ll in range(11):</code>.</li> <li>It saves the bounds and raw data in <a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/blob/main/TrainingData/Processed_Data/Bounds_GS">TrainingData/Processed_Data/Bounds_GS</a> and <a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/blob/main/TrainingData/Processed_Data/Origin_GS">TrainingData/Processed_Data/Origin_GS</a>, respectively.</li> <li>The command to be run from <a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/tree/main/TrainingData">TrainingData</a> directory is</li> </ul> </li> </ul> <div> <pre><code> python3 CollectData.py</code></pre> </div> <ul> <li><a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/blob/main/TrainingData/Normalization.py">TrainingData/Normalization.py</a> is used to normalise the gathered direct numerical simulations results <ul> <li>Bounds and raw data are read from <a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/blob/main/TrainingData/Processed_Data/Bounds_GS">TrainingData/Processed_Data/Bounds_GS</a> and <a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/blob/main/TrainingData/Processed_Data/Origin_GS">TrainingData/Processed_Data/Origin_GS</a>, respectively.</li> <li>It saves the normalized training (75%) and testing (25%) data in <a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/blob/main/TrainingData/Processed_Data/Normalized_GS_Train">TrainingData/Processed_Data/Normalized_GS_Train</a> and <a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/blob/main/TrainingData/Processed_Data/Normalized_GS_Test">TrainingData/Processed_Data/Normalized_GS_Test</a>, respectively.</li> <li>The command to be run from <a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/tree/main/TrainingData">TrainingData</a> directory is</li> </ul> </li> </ul> <div> <pre><code> python3 Normalization.py</code></pre> </div> <ul> <li><a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/blob/main/TrainingData/GaussCollectData.py">TrainingData/GaussCollectData.py</a> is an alternative using Gaussian normaliation and is used to gather all the direct numerical simulations results.</li> <li><a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/blob/main/TrainingData/GaussNormalization.py">TrainingData/GaussNormalization.py</a> is an alternative to normalise following a Gaussian the gathered direct numerical simulations results.</li> <li><a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/blob/main/TrainingData/Data_Padding.py">TrainingData/Data_Padding.py</a> is used to pad and trim the normalised data <ul> <li>Normalized training (75%) and testing (25%) data in <a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/blob/main/TrainingData/Processed_Data/Normalized_GS_Train">TrainingData/Processed_Data/Normalized_GS_Train</a> and <a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/blob/main/TrainingData/Processed_Data/Normalized_GS_Test">TrainingData/Processed_Data/Normalized_GS_Test</a>, respectively.</li> <li>The final length of the sequence (including zero padding and trimming) is given by <code>N = 200</code>.</li> <li>It saves the trimmed and padded normalised training and testing data in <a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/blob/main/TrainingData/Processed_Data">TrainingData/Processed_Data/</a> as <code>'GS_Train'N</code> and <code>'GS_Test'N</code>, respectively.</li> <li>The command to be run from <a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/tree/main/TrainingData">TrainingData</a> directory is</li> </ul> </li> </ul> <div> <pre><code> python3 Data_Padding.py</code></pre> </div> <ul> <li><a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/blob/main/TrainingData/Tool.py">TrainingData/Tool.py</a> is a list of function used to normalise dat.</li> </ul> <h2>Part 2: RNN training</h2> <h3>Available rnn</h3> <ul> <li>The different cells are in the following directories <ul> <li><a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/tree/main/SC_MRU/MGRU/NNW_SMRU">SC_MRU/MGRU/NNW_SMRU</a>: Neural network with SMRU recurrent cell.</li> <li><a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/tree/main/SC_MRU/MGRU/NNW_SCMRU_T">SC_MRU/MGRU/NNW_SCMRU_T</a>: Neural network with SC-MRU-T recurrent cell.</li> <li><a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/tree/main/SC_MRU/MGRU/NNW_MGRU">SC_MRU/MGRU/NNW_MGRU</a>: Neural network with orginal MGRU recurrent cell.</li> <li><a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/tree/main/SC_MRU/MGRU/NNW_MGRU_M">SC_MRU/MGRU/NNW_MGRU_M</a>: Neural network with modified MGRU recurrent cell.</li> <li><a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/tree/main/SC_MRU/FNN_LeakyReLU">SC_MRU/FNN_LeakyReLU/NNW_<code>X</code>Fw</a>: Neural network with SC-MRU-I recurrent cell using <code>X</code> Feed Forward non-linear transition layers.</li> <li><a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/tree/main/SC_MRU/Quadratic_NLT">SC_MRU/Quandratic_NLT/NNW_<code>X</code>Q, NNW_Q_Fw, NNW_Fw_Q</a>: Neural network with SC-MRU-I recurrent cell using <code>X</code> quadratic or mixed feed-forward-quadratic non-linear transition layers.</li> <li><a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/tree/main/SC_MRU/ReferenceRNN">SC_MRU/ReferenceRNN/NNW_<code>X</code>Layers</a>: Neural network with SC-LMSC recurrent cell using <code>X</code> non-linear transition layers.</li> </ul> </li> </ul> <h3>Compile the neural network models</h3> <ul> <li>In the adequate directory, e.g. <a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/tree/main/SC_MRU/MGRU/NNW_SMRU">SC_MRU/MGRU/NNW_SMRU</a> for the Neural network with SMRU recurrent cell.</li> </ul> <div> <pre><code> cd build rm -rf * cmake -DCMAKE_PREFIX_PATH=$TORCHDIR .. make</code></pre> </div> <ul> <li>This create the RNN_<code>CELL</code> model in the build directory</li> </ul> <h3>Train the neural network models</h3> <ul> <li>In the adequate directory, e.g. <a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/tree/main/SC_MRU/MGRU/NNW_SMRU">SC_MRU/MGRU/NNW_SMRU</a> for the Neural network with SMRU recurrent cell.</li> <li>Requires to have <a href="#compile-the-neural-network-models">compiled</a> the RNN model.</li> <li>The file <code>Train.py</code> <ul> <li>Uses the RNN_<code>CELL</code> model compiled in the <code>build</code> directory.</li> <li>Uses the trimmed and padded normalised training and testing data in <a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/blob/main/TrainingData/Processed_Data">TrainingData/Processed_Data/</a> as <code>'GS_Train'N</code> and <code>'GS_Test'N</code>, respectively.</li> <li>Can be modified to use the requested ratios of training and testing sequences of different lengths to prepate the mini-baches, e.g.: <ul> <li><code>ratio = [0.2,0.02,0.6,0.06,0.01,0.9]</code></li> <li><code>PathIn1 = ['../../../TrainingData/Processed_data/GS_Train200','../../../TrainingData/Processed_data/GS_Train2500','../../../TrainingData/Processed_data/GS_Test200','../../../TrainingData/Processed_data/GS_Test2500']</code></li> <li><code>PathIn2 = ['../../../TrainingData/Processed_data/GS_Test200','../../../TrainingData/Processed_data/GS_Test400','../../../TrainingData/Processed_data/GS_Test2500','../../../TrainingData/Processed_data/GS_Test400']</code></li> </ul> </li> <li>Saves the mini-batches in <ul> <li><code>PathOut = "TrainingData.pt"</code></li> </ul> </li> <li>Saves the model <code>module-checkpoint.pt</code> and <code>module-checkpoint-optimizer.pt</code>, and loss evolution <code>Loss.txt</code> in <ul> <li>Module/H<code>n</code> with <code>n</code> the number of hiden variables.</li> <li>Output directory can be changes in NNW_<code>CELL</code>.cpp of the cell name <code>CELL</code> (and recompiling).</li> <li>Warm start can be disabled in by commenting <code>torch::load(net, "./Module/H120/module-checkpoint_CM0.pt");</code> and <code>torch::load(optimizer, "./Module/H120/module-optimizer-checkpoint_CM0.pt");</code> in NNW_<code>CELL</code>.cpp of the cell name <code>CELL</code> (and recompiling).</li> <li>Is executed with</li> </ul> </li> </ul> </li> </ul> <div> <pre><code> python3 Train.py</code></pre> </div> <h3>Convert trained c++ models for pyTorch (in view of multiscale simulations)</h3> <ul> <li><a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/blob/main/SC_MRU/CheckLoss/Save_RU.py">SC_MRU/CheckLoss/RU.py</a>: functions used to read and use the rnn models.</li> <li><a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/blob/main/SC_MRU/CheckLoss/Save_RNN_script.py">SC_MRU/CheckLoss/Save_RNN_script.py</a>: <ul> <li>Converts c++ trained models to pyTorch models</li> <li>Reads the trained models in SC_MRU/CELL_<code>Kind</code>/NNW_<code>CELL</code>/Module/H<code>N</code>/module.pt</li> <li>Save the converted models to <a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/tree/main/SC_MRU/CheckLoss">SC_MRU/CheckLoss/</a> and to <a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/tree/main/MultiScale/Model">MultiScale/Model/</a></li> <li><code>InpType = cell[0]</code> #choose the recurrent cell typeAmong the different available cells <code>cell=["SC_MRU_T","SC_MRU_I","SMRU"]</code>.</li> <li>The command to be run from the directory <a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/tree/main/SC_MRU/CheckLoss">SC_MRU/CheckLoss/</a> is</li> </ul> </li> </ul> <div> <pre><code>python3 Save_RNN_script.py</code></pre> </div> <h3>Vizualize loss evolution and testing results</h3> <ul> <li><a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/blob/main/SC_MRU/CheckLoss/Data_prepare.py">SC_MRU/CheckLoss/Data_prepare.py</a> contains fucntion used for testing.</li> <li><a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/blob/main/SC_MRU/CheckLoss/LossVS_insertN.py">SC_MRU/CheckLoss/LossVS_insertN.py</a> tests the effect of testing data augmentation: <ul> <li>Requires to have <a href="#compile-the-neural-network-models">compiled</a> the RNN models.</li> <li>Cell type and augmentation kind can be modified: <ul> <li><code>repeat = 10</code> #number of tests</li> <li><code>dataType ='random'</code> #'even' or 'random'</li> <li><code>InpType = cell[0]</code> #choose the recurrent cell typeAmong the different available cells ```cell=["SC_MRU_T","SC_MRU_I","SMRU"]``</li> <li><code>reevaluate= False</code> # <code>False</code> to use the saved loss values and <code>True</code> to evaluate the loss values</li> <li><code>fastshifting=False</code> # <code>False</code> to vizualize before fast shifting (Fig. 11) and <code>True</code> after (Fig. 12). When <code>reevaluate== True</code>, this has no effect: the training with fast-shifting or not has to be done manually, see <a href="#train-the-neural-network-models">details</a>.</li> </ul> </li> <li>Generates new Loss_<code>CELL</code>.txt and TrainingData.pt files in case <code>reevaluate== True</code>, read the existing one if <code>reevaluate== False</code>.</li> <li>Generates Figs. 11 and 12 from <a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/tree/main/SC_MRU/CheckLoss">SC_MRU/CheckLoss/</a></li> </ul> </li> </ul> <div> <pre><code> python3 LossVS_insertN.py</code></pre> </div> <ul> <li><a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/blob/main/SC_MRU/CheckLoss/Plot_GS.py">SC_MRU/CheckLoss/Plot_GS.py</a> test the different NNW on RVE testing paths: <ul> <li>Requires to have <a href="#compile-the-neural-network-models">compiled</a> the RNN models.</li> <li>Cell type and augmentation kind can be modified: <ul> <li><code>InpType = cell[0]</code> #choose the recurrent cell typeAmong the different available cells ```cell=["SC_MRU_T","SC_MRU_I","SMRU"]``</li> </ul> </li> <li>Generate Figs. 13, 14 and 15 from <a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/tree/main/SC_MRU/CheckLoss">SC_MRU/CheckLoss/</a></li> <li>Command to be run from <a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/tree/main/SC_MRU/CheckLoss">SC_MRU/CheckLoss/</a> is</li> </ul> </li> </ul> <div> <pre><code> python3 Plot_GS.py</code></pre> </div> <ul> <li><a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/blob/main/SC_MRU/CheckLoss/Plot_GS_step.py">SC_MRU/CheckLoss/Plot_GS_step.py</a> tests the different pyTorch NNWs on the RVE testing paths: <ul> <li>Requires to have <a href="#convert-trained-c-models-for-pytorch-in-view-of-multiscale-simulations">converted</a> the RNN models.</li> <li>Cell type and augmentation kind can be modified: <ul> <li><code>InpType = cell[0]</code> #choose the recurrent cell typeAmong the different available cells ```cell=["SC_MRU_T","SC_MRU_I","SMRU"]``</li> </ul> </li> <li>Command to be run from <a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/tree/main/SC_MRU/CheckLoss">SC_MRU/CheckLoss/</a> is</li> </ul> </li> </ul> <div> <pre><code> python3 Plot_GS_step.py</code></pre> </div> <ul> <li><a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/blob/main/SC_MRU/PlotLoss_HiddenV.py">SC_MRU/PlotLoss_HiddenV.py</a> shows the loss evolution for the different number of hidden variables --<a href="#train-the-neural-network-models">after having trained</a> or using saved loss files-- for the SMRU cell: <ul> <li>Generates Fig. 8.</li> <li>Command to be run from <a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/tree/main/SC_MRU">SC_MRU/</a> is</li> </ul> </li> </ul> <div> <pre><code> python3 PlotLoss_HiddenV.py</code></pre> </div> <ul> <li><a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/blob/main/SC_MRU/PlotLoss_3MRU.py">SC_MRU/PlotLoss_3MRU.py</a> shows the loss evolution for the different recurrent units --<a href="#train-the-neural-network-models">after having trained</a> or using saved loss files-- for the 120 hidden variables: <ul> <li>Generates Fig. 9.</li> <li>Command to be run from <a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/tree/main/SC_MRU">SC_MRU/</a> is</li> </ul> </li> </ul> <div> <pre><code> python3 PlotLoss_3MRU.py</code></pre> </div> <ul> <li><a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/blob/main/SC_MRU/PlotLoss_RefNL_H120.py">SC_MRU/PlotLoss_RefNL_H120.py</a> shows the loss evolution for the different SC-LMSC and SC-MRU-I cells --<a href="#train-the-neural-network-models">after having trained</a> or using saved loss files-- for 120 hidden variables: <ul> <li>Generates Fig. 10.</li> <li>Command to be run from <a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/tree/main/SC_MRU">SC_MRU/</a> is</li> </ul> </li> </ul> <div> <pre><code> python3 PlotLoss_RefNL_H120.py</code></pre> </div> <ul> <li><a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/blob/main/SC_MRU/PlotLoss_MGRU.py">SC_MRU/PlotLoss_MGRU.py</a> shows the loss evolution for the original and modified MGRU --<a href="#train-the-neural-network-models">after having trained</a> or using saved loss files-- and for the 120 hidden variables: <ul> <li>Generates Fig. A.18.</li> <li>Command to be run from <a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/tree/main/SC_MRU">SC_MRU/</a> is</li> </ul> </li> </ul> <div> <pre><code> python3 PlotLoss_MGRU.py</code></pre> </div> <ul> <li><a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/blob/main/SC_MRU/PlotLoss_NL.py">SC_MRU/PlotLoss_NL.py</a> shows the loss evolution for the different non-liner transition layers (quadratic and Leaky ReLU) of the SC-MRU-I cell --<a href="#train-the-neural-network-models">after having trained</a> or using saved loss files-- and for the 120 hidden variables: <ul> <li>Generates Fig. B.19.</li> <li><code>Case=1</code> # 0 for quadratic transition blocks and 1 for Leaky ReLU transition blocks</li> <li>Command to be run from <a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/tree/main/SC_MRU">SC_MRU/</a> is</li> </ul> </li> </ul> <div> <pre><code> python3 PlotLoss_NL.py</code></pre> </div> <ul> <li><a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/blob/main/SC_MRU/PlotLoss_DiffNL_H120.py">SC_MRU/PlotLoss_DiffNL_H120.py</a> shows the loss evolution for the different non-liner transition layers (hybrid) of the SC-MRU-I cell --<a href="#train-the-neural-network-models">after having trained</a> or using saved loss files-- and for the 120 hidden variables: <ul> <li>Generates Fig. B.20.</li> <li>Command to be run from <a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/tree/main/SC_MRU">SC_MRU/</a> is</li> </ul> </li> </ul> <div> <pre><code> python3 PlotLoss_DiffNL_H120.py</code></pre> </div> <h2>Part 3: Multiscale analysis</h2> <h3>Trained surrogate models</h3> <ul> <li><a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/tree/main/MultiScale/Model">MultiScale/Model</a>: contains the different rnn <ul> <li><a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/blob/main/MultiScale/Model/Bounds_GS">MultiScale/Model/Bounds_GS</a>: Bounds.</li> <li><a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/blob/main/MultiScale/Model/DInpFullModel.pt">MultiScale/Model/DInpFullModel.pt</a>: trained rnn with <code>SC-MRU-T</code> recurrent cell.</li> <li><a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/blob/main/MultiScale/Model/IncrementModel.pt">MultiScale/Model/IncrementModel.pt</a>: trained rnn with <code>SC-MRU-I</code> recurrent cell.</li> <li><a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/blob/main/MultiScale/Model/FullModel.pt">MultiScale/Model/FullModel.pt</a>: trained rnn with <code>SMRU</code> recurrent cell.</li> </ul> </li> </ul> <h3>Run mutiscale simulations using the surrogates</h3> <ul> <li><a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/blob/main/MultiScale/2D_MultiScale/model.geo">MultiScale/2D_MultiScale/model.geo</a>: geometry of the macro-scale model that can be read by gmsh (<a href="http://www.gmsh.info" target="_blank" rel="nofollow noreferrer noopener">www.gmsh.info</a>).</li> <li><a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/blob/main/MultiScale/2D_MultiScale/model.msh">MultiScale/2D_MultiScale/model.msh</a>: mesh of the macro-scale model that can be read by gmsh (<a href="http://www.gmsh.info" target="_blank" rel="nofollow noreferrer noopener">www.gmsh.info</a>).</li> <li><a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/blob/main/MultiScale/2D_MultiScale/model.py">MultiScale/2D_MultiScale/model.py</a>: is used to run all the multiscale simulation: <ul> <li>This requires cm3Libraries (<a href="http://www.ltas-cm3.ulg.ac.be/openSource.htm" target="_blank" rel="nofollow noreferrer noopener">http://www.ltas-cm3.ulg.ac.be/openSource.htm</a>).</li> <li>Uses the bounds and trained models in <a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/tree/main/MultiScale/Model">MultiScale/Model</a>.</li> <li><code>InpType = cell[0]</code> #choose the recurrent cell typeAmong the different available cells <code>cell=["SC_MRU_T","SC_MRU_I","SMRU"]</code>.</li> <li><code>factorStep= 100</code> # is the number of steps x 20 during the reloading stage between points B and C.</li> <li>The command to be run from the directory <a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/tree/main/MultiScale/2D_MultiScale">MultiScale/2D_MultiScale/</a> is</li> </ul> </li> </ul> <div> <pre><code>python3 model.py</code></pre> </div> <ul> <li><a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/tree/main/MultiScale/FE2">MultiScale/FE2</a>: <ul> <li>Contains the reference displacement-force results of the FE2 simulation.</li> <li><a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/tree/main/MultiScale/FE2/Distributions">MultiScale/FE2/Distributions</a>: contains the macro-scale displacement and stress fields. They can be vizualized with gmsh (<a href="http://www.gmsh.info" target="_blank" rel="nofollow noreferrer noopener">www.gmsh.info</a>) using the mesh file <a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/blob/main/MultiScale/FE2/Distributions/model.msh">model.msh</a>.</li> </ul> </li> <li><a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/tree/main/MultiScale">MultiScale/S<code>CELL</code>_120_<code>STEPS</code></a>: <ul> <li>Contain the reference displacement-force results of the rnn-based multiscale simulations for the different recurrent cells <code>CELL</code> and steps number <code>STEPS</code> during the reloading stage between points B and C.</li> <li>For the cases <a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/tree/main/MultiScale">MultiScale/S<code>CELL</code>_120_20</a>, the macro-scale displacement and stress fields are also available and can be vizualized with gmsh (<a href="http://www.gmsh.info" target="_blank" rel="nofollow noreferrer noopener">www.gmsh.info</a>) using the mesh file <a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/blob/main/MultiScale/FE2/Distributions/model.msh">model.msh</a>.</li> </ul> </li> </ul> <h3>Vizualize mutiscale simulations results</h3> <ul> <li><a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/blob/main/MultiScale/2D_MultiScale/plot_force.py">MultiScale/2D_MultiScale/plot_force.py</a>: is used to plot the multiscale simulations results: <ul> <li><code>InpType = cell[0]</code> #choose the recurrent cell typeAmong the different available cells <code>cell=["SC_MRU_T","SC_MRU_I","SMRU"]</code>.</li> <li>The multiscale simulations results to be plotted are saved in the directories <code>CELL_120_Step</code>, where <code>Step</code> # is the number of steps during the reloading stage between points B and C.</li> <li>The command to be run from the directory <a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/tree/main/MultiScale/2D_MultiScale">MultiScale/2D_MultiScale/</a> is</li> </ul> </li> </ul> <div> <pre><code>python3 plot_force.py</code></pre> </div> <ul> <li>To vizualize the macro-scale displacement and stress fields distributions: <ul> <li><a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/tree/main/MultiScale/FE2/Distributions">MultiScale/FE2/Distributions</a>: contains the macro-scale displacement and stress fields. They can be vizualized with gmsh (<a href="http://www.gmsh.info" target="_blank" rel="nofollow noreferrer noopener">www.gmsh.info</a>) using the mesh file <a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/blob/main/MultiScale/FE2/Distributions/model.msh">model.msh</a>.</li> <li><a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/tree/main/MultiScale">MultiScale/S<code>CELL</code>_120_20</a>, the macro-scale displacement and stress fields are also available and can be vizualized with gmsh (<a href="http://www.gmsh.info" target="_blank" rel="nofollow noreferrer noopener">www.gmsh.info</a>) using the mesh file <a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/blob/main/MultiScale/FE2/Distributions/model.msh">model.msh</a>.</li> </ul> </li> </ul> <h2>Part 4: Reproduce paper<sup><a href="#fn-1">1</a></sup> figures</h2> <ul> <li>Fig. 7: The command to be run from the diretory <a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/tree/main/TrainingPaths">TrainingPaths</a> is</li> </ul> <div> <pre><code> python3 countPathLength.py '../ConstRVE/PathsExamples'</code></pre> </div> <ul> <li>Fig. 9: The command to be run from the diretory <a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/tree/main/SC_MRU">SC_MRU/</a> is</li> </ul> <div> <pre><code> python3 PlotLoss_HiddenV.py</code></pre> </div> <ul> <li>Fig. 10: The command to be run from the diretory <a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/tree/main/SC_MRU">SC_MRU/</a> is</li> </ul> <div> <pre><code> python3 PlotLoss_3MRU.py</code></pre> </div> <ul> <li>Fig. 11: The command to be run from the diretory <a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/tree/main/SC_MRU">SC_MRU/</a> is</li> </ul> <div> <pre><code> python3 PlotLoss_DiffNL_H120.py</code></pre> </div> <ul> <li>Figs. 12 and 13: The command to be run from the directory <a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/tree/main/SC_MRU/CheckLoss">SC_MRU/CheckLoss/</a> is, see <a href="#vizualize-loss-evolution-and-testing-results">details</a></li> </ul> <div> <pre><code> python3 LossVS_insertN.py</code></pre> </div> <ul> <li>Figs. 14, 15 and 16: The command to be run from the directory <a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/tree/main/SC_MRU/CheckLoss">SC_MRU/CheckLoss/</a></li> </ul> <div> <pre><code> python3 Plot_GS.py</code></pre> </div> <ul> <li>Figs. 17(b)(c)(d): The command to be run from the directory <a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/tree/main/MultiScale/2D_MultiScale">MultiScale/2D_MultiScale/</a> is, see <a href="#vizualize-mutiscale-simulations-results">details</a>:</li> </ul> <div> <pre><code>python3 plot_force.py</code></pre> </div> <ul> <li>Figs. 18-23: Need gmsh to vizualize the results stored in <a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/tree/main/MultiScale/FE2/Distributions">MultiScale/FE2/Distributions</a> and <a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/tree/main/MultiScale">MultiScale/S<code>CELL</code>_120_20</a>, see <a href="#vizualize-mutiscale-simulations-results">details</a></li> <li>Fig. A.24: The command to be run from the directory <a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/tree/main/SC_MRU/CheckLoss">SC_MRU/CheckLoss/</a> is, see <a href="#vizualize-loss-evolution-and-testing-results">details</a></li> </ul> <div> <pre><code> python3 PlotLoss_MGRU.py.py</code></pre> </div> <ul> <li>Fig. B.25: The command to be run from the directory <a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/tree/main/SC_MRU/CheckLoss">SC_MRU/CheckLoss/</a> is, see <a href="#vizualize-loss-evolution-and-testing-results">details</a></li> </ul> <div> <pre><code> python3 PlotLoss_NL.py</code></pre> </div> <ul> <li>Fig. B.26: The command to be run from the directory <a href="../didearot/didearotPublic/publicationsData/2024_scmru/-/tree/main/SC_MRU/CheckLoss">SC_MRU/CheckLoss/</a> is, see <a href="#vizualize-loss-evolution-and-testing-results">details</a></li> </ul> <div> <pre><code> python3 PlotLoss_DiffNL_H120.py</code></pre> </div> <h2>Disclaimer</h2> <p>This project has received funding from the European Union’s Horizon Europe Framework Programme under grant agreement No. 101056682 for the project “DIgital DEsign strategies to certify and mAnufacture Robust cOmposite sTructures (DIDEAROT)”. The contents of this publication are the sole responsibility of ULiege and do not necessarily reflect the opinion of the European Union. Neither the European Union nor the granting authority can be held responsible for them.</p> <ol> <li> <p>The work is described in:<br>"<em>Wu, L. and Noels, L. (2024).</em> <strong>Self-consistency Reinforced minimal Gated Recurrent Unit for surrogate modeling of history-dependent non-linear problems: application to history-dependent homogenized response of heterogeneous materials</strong> 424: 116881, <a href="https://doi.org/10.1016/j.cma.2024.116881" target="_blank" rel="nofollow noreferrer noopener">doi: 10.1016/j.cma.2024.116881</a>" which can be downloaded. We would be grateful if you could cite this publication in case you use the files. <a href="#fnref-1-5292">↩</a> <a href="#fnref-1-2">↩<sup>2</sup></a> <a href="#fnref-1-3">↩<sup>3</sup></a></p> </li> </ol>
Accurate Flow Decomposition via Robust Integer Linear Programming
<p>Dataset created using Poisson distribution to generate imperfect flow .</p> <p>March 2024 - Update: It contains the original graph, the ground truth and the imperfect flow used for inexact and robust flow decompositions.</p>
Profiling of linear B-cell epitopes against human coronaviruses in pooled sera sampled early in the COVID-19 pandemic
<p>Background: Antibodies play a key role in the immune defence against infectious pathogens. Understanding the underlying process of B cell recognition is not only of fundamental interest; it supports important applications within diagnostics and therapeutics. Whereas the nature of conformational B cell epitope recognition is inherently complicated, linear B cell epitopes offer a straightforward approach that potentially can be reduced to one of peptide recognition.</p> <p>Methods: Using an overlapping peptide approach representing the entire proteomes of the seven main coronaviruses known to infect humans, we analysed sera pooled from eight PCR-confirmed COVID-19 convalescents and eight pre-pandemic controls. Using a high-density peptide microarray platform, 13-mer peptides overlapping by 11 amino acids were in situ synthesised and incubated with the pooled primary serum samples, followed by development with secondary fluorochrome-labelled anti-IgG and -IgA antibodies. Interactions were detected by fluorescence detection. Strong Ig interactions encompassing consecutive peptides were considered to represent "high-fidelity regions" (HFRs). These were mapped to the coronavirus proteomes using a 60% homology threshold for clustering.</p> <p>Results: We identified 333 human coronavirus derived HFRs. Among these, 98 (29%) mapped to SARS-CoV-2, 144 (44%) mapped to one or more of the four circulating common cold coronaviruses (CCC), and 54 (16%) cross-mapped to both SARS-CoV-2 and CCCs. The remaining 37 (11%) mapped to either SARS-CoV or MERS-CoV. Notably, the COVID-19 serum was skewed towards recognising SARS-CoV-2-mapped HFRs, whereas the pre-pandemic was skewed towards recognising CCC-mapped HFRs. In terms of absolute numbers of linear B cell epitopes, the primary targets are the ORF1ab protein (60%), the spike protein (21%), and the nucleoprotein (15%) in that order; however, in terms of epitope density, the order would be reversed.</p> <p>Conclusion: We identified linear B cell epitopes across coronaviruses, highlighting pan-, alpha-, beta-, or SARS-CoV-2-corona-specific B cell recognition patterns. These findings could be pivotal in deciphering past and current exposures to epidemic and endemic coronavirus. Moreover, our results suggest that pre-pandemic anti-CCC antibodies may cross-react against SARS-CoV-2, which could explain the highly variable outcome of COVID-19. Finally, the methodology used here offers a rapid and comprehensive approach to high-resolution linear B-cell epitope mapping, which could be vital for future studies of emerging infectious diseases.</p>
Frequency-comb-linearized, widely tunable lasers for coherent ranging
<p>This data contains the raw data of the experiment and the code and corresponding data of the figures in the artical.</p>
A nanoparticle stored with an atomic ion in a linear Paul trap
<p>Radiofrequency traps are used to confine charged particles but are only stable for a narrow range of charge-to-mass ratios. Here, we confine two particles---a nanoparticle and an atomic ion---in the same radiofrequency trap although their charge-to-mass ratios differ by six orders of magnitude. The confinement is enabled by a dual-frequency voltage applied to the trap electrodes. We introduce a robust loading procedure under ultra-high vacuum and characterize the stability of both particles. It is observed that slow-field micromotion, an effect specific to the dual-field setting, plays a crucial role for ion localization and will be important to account for when engineering controlled interactions between the particles.</p>
Linear contraction of stress fibers generates cell body rotation
<p>Raw image data and numerical data used to generate plots and graphs included in the manuscript. Raw sequential images to make supplementary movies.</p>
Code and Data for the Study "Exact Algorithms in Bar Nesting: How to Cut General Items from Linear Stocks so that Wastage is Minimised"
<p>This resource contains the code and results used in the paper:</p> <p>Lewis, R. and L. Bonnet (2025) '<a href="https://www.sciencedirect.com/science/article/pii/S0360835224009604" target="_blank" rel="noopener">Exact Algorithms in Bar Nesting: How to Cut General Items from Linear Stocks so that Wastage is Minimised</a>'. Computers & Industrial Engineering, vol. 200, 110838.</p> <p>The paper can be found <a href="https://www.sciencedirect.com/science/article/pii/S0360835224009604" target="_blank" rel="noopener">here</a>.</p> <p>Please consult <strong>UserGuide.pdf</strong> for further information. </p>
Design of linear and cyclic peptide binders
<p>The data is compressed with zstd: https://github.com/facebook/zstd and tar. To uncompress do: </p> <p>tar --use-compress-program full/path/to/zstd -xvf file.tar.zst</p> <p>PDB files of predicted protein-peptide complexes from the design process:</p> <p>1.1G 1ssc_untargeted_cyclic_afm.tar.zst <br>1.1G 1ssc_untargeted_cyclic.tar.zst<br>1.1G 1ssc_untargeted_linear_afm.tar.zst<br>1.1G 1ssc_untargeted_linear.tar.zst</p> <p>Selected PDB files of predicted protein-peptide complexes from the design process:</p> <p>(440 KB each). 1ssc_adversarial_linear_sel, 1ssc_tp_cyclic_sel, 1ssc_tp_linear_sel</p> <p>Metrics:</p> <p>1ssc_cyclic_merged_with_solubility.csv - all cyclic design metriccs</p> <p>1ssc_linear_merged_with_solubility.csv - all linear design metriccs</p> <p>1ssc_linear_adversarial_sel.csv - adversarial selection for linear design</p> <p>1ssc_linear_tp_sel.csv - top selection for linear design</p> <p>spr_results.csv - SPR affinities (Kd)</p> <p>1ssc_cyclic_tp_sel.csv - top selection for cyclic design</p> <p>linear_top_adversarial_pae.csv - PAE scores for linear top and adversarial designs</p>
Supplementary material S29: Accelerometer sensitivity and linearity at varying signal magnitudes.
<p>Accelerometer sensitivity and linearity with frequency. Artificial vibrations with three different magnitudes were driven with a frequency sweep from 0 to 24 kHz, with an electromagnetic shaker. The accelerometer outputs (a) are modulated by both the shaker and the crystal responses. The ratio of any two curves (signal = 6 divided by signal = 3 for (b), and signal = 9 divided by signal = 3 for (c)) allows the estimation of the accelerometer’s linearity alone. These figures demonstrate the remarkable linearity of our sensor, except for the bandwidth between 14-18 kHz and frequencies beyond 23 kHz, where up to 10% deviation can be seen. Our signals of interest seldom or never overlap with these frequency bands.</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.