Improved readme and added demo notebook

README.md

@@ -8,7 +8,8 @@ This dataset contains the data for the first test case (1D compressible SPH) for
 
 You can find the full paper [here](https://arxiv.org/abs/2403.16680). 
 
-The source core repository is available [here](https://github.com/tum-pbs/SFBC/) and also contains information on the data generation
+The source core repository is available [here](https://github.com/tum-pbs/SFBC/) and also contains information on the data generation. You can install our BasisConvolution framework simply by running
+`pip install BasisConvolution`
 
 For the other test case datasets look here:
 
@@ -22,4 +23,71 @@ For the other test case datasets look here:
 
 ## File Layout
 
-The datasets are stored as hdf5 files with a single file per experiment. Within each file there is a set of configuration parameters and each frame of the simulation stored separately as a group. Each frame contains information for all fluid particles and all potentially relevant information. For the 2D test cases there is a pre-defined test/train split on a simulation level, wheras the 1D and 3D cases do not contain such a split.
+The datasets are stored as hdf5 files with a single file per experiment. Within each file there is a set of configuration parameters and each frame of the simulation stored separately as a group. Each frame contains information for all fluid particles and all potentially relevant information. For the 2D test cases there is a pre-defined test/train split on a simulation level, wheras the 1D and 3D cases do not contain such a split.
+
+## Demonstration
+
+This repository contains a simple Jupyter notebook (Visualizer.ipynb) that loads the dataset in its current folder and visualizes it first:
+
+![alt text](data.png)
+
+And then runs a simple training on it to learn the SPH summation-based density for different basis functions:
+
+![alt text](training.png)
+
+## Minimum Working Example
+
+Below you can find a fully work but simple example of loading our dataset, building a network (based on our SFBC framework) and doing a single network step. This relies on our SFBC/BasisConvolution framework that you can find [here](https://github.com/tum-pbs/SFBC/) or simply install it via pip (`pip install BasisConvolution`)
+
+```py
+from BasisConvolution.util.hyperparameters import parseHyperParameters, finalizeHyperParameters
+from BasisConvolution.util.network import buildModel, runInference
+from BasisConvolution.util.augment import loadAugmentedBatch
+from BasisConvolution.util.arguments import parser
+import shlex
+import torch
+from torch.utils.data import DataLoader
+from BasisConvolution.util.dataloader import datasetLoader, processFolder
+
+# Example arguments 
+args = parser.parse_args(shlex.split(f'--fluidFeatures constant:1 --boundaryFeatures constant:1 --groundTruth compute[rho]:constant:1/constant:rho0 --basisFunctions ffourier --basisTerms 4 --windowFunction "None" --maxUnroll 0 --frameDistance 0 --epochs 1'))
+# Parse the arguments
+hyperParameterDict = parseHyperParameters(args, None)
+hyperParameterDict['device'] = 'cuda' # make sure to use a gpu if you can
+hyperParameterDict['iterations'] = 2**10 # Works good enough for this toy problem
+hyperParameterDict['batchSize'] = 4 # Automatic batched loading is supported
+hyperParameterDict['boundary'] = False # Make sure the data loader does not expect boundary data (this yields a warning if not set)
+
+# Build the dataset
+datasetPath = 'dataset'
+train_ds = datasetLoader(processFolder(hyperParameterDict, datasetPath))
+# And its respective loader/iterator combo as a batch sampler (this is our preferred method)
+train_loader = DataLoader(train_ds, shuffle=True, batch_size = hyperParameterDict['batchSize']).batch_sampler
+train_iter = iter(train_loader)
+# Align the hyperparameters with the dataset, e.g., dimensionality
+finalizeHyperParameters(hyperParameterDict, train_ds)
+# Build a model for the given hyperparameters
+model, optimizer, scheduler = buildModel(hyperParameterDict, verbose = False)
+# Get a batch of data
+
+try:
+    bdata = next(train_iter)
+except StopIteration:
+    train_iter = iter(train_loader)
+    bdata = next(train_iter)
+# Load the data, the data loader does augmentation and neighbor searching automatically
+configs, attributes, currentStates, priorStates, trajectoryStates = loadAugmentedBatch(bdata, train_ds, hyperParameterDict)
+# Run the forward pass
+optimizer.zero_grad()
+predictions = runInference(currentStates, configs, model, verbose = False)
+# Compute the Loss
+gts = [traj[0]['fluid']['target'] for traj in trajectoryStates]
+losses = [torch.nn.functional.mse_loss(prediction, gt) for prediction, gt in zip(predictions, gts)]
+# Run the backward pass
+loss = torch.stack(losses).mean()
+loss.backward()
+optimizer.step()
+# Print the loss
+print(loss.item()) 
+print('Done')
+```