removed 05_GNNs.md

slides/05_GNNs.md

@@ -1,165 +0,0 @@
-## Graph Neural Networks
-
-::: columns
-:::: {.column width=65%}
-* Graph Neural Networks (GNNs): Neural Networks that operate on graph structured data
-* Graph: consists of nodes that can be connected by edges, edges can be directed or undirected
-* no grid structure as given for CNNs
-* node features and edge features possible
-* relation often represented by adjacency matrix: $A_{ij}=1$ if there is a link between node $i$ and $j$, else 0
-* tasks on node level, edge level and graph level
-* full lecture: \url{https://web.stanford.edu/class/cs224w/}
-::::
-:::: {.column width=35%}
-\begin{center}
-\includegraphics[width=1.1\textwidth]{figures/graph_example.png}
-\normalsize
-\end{center}
-::::
-:::
-
-## Simple Example: Zachary's karate club
-
-::: columns
-:::: {.column width=60%}
-* link: \url{https://en.wikipedia.org/wiki/Zachary's_karate_club}
-* 34 nodes: each node represents a member of the karate club
-* 4 classes: a community each member belongs to 
-* task: classify the nodes
-* many real world problems for GNNs exist, e.g.\ social networks, molecules, recommender systems, particle tracks 
-::::
-:::: {.column width=40%}
-\begin{center}
-\includegraphics[width=1.\textwidth]{figures/karateclub.png}
-\normalsize
-\end{center}
-::::
-:::
-
-## From CNN to GNN
-
-\begin{center}
-\includegraphics[width=0.8\textwidth]{figures/fromCNNtoGNN.png}
-\normalsize
-\newline
-\tiny (from Stanford GNN lecture)
-\end{center}
-\normalsize
-* GNN: Generalization of convolutional neural network
-* No grid structure, arbitrary number of neighbors defined by adjacency matrix
-* Operations pass information from neighborhood
-
-## Architecture: Graph Convolutional Network
-
-::: columns
-:::: {.column width=60%}
-* Message passing from connected nodes
-* The graph convolution is defined as:
-$$ H^{(l+1)} = \sigma \left( \tilde{D}^{\frac{1}{2}} \tilde{A} \tilde{D}^{-\frac{1}{2}} H^{(l)} W^{(l)} \right)$$
-* The adjacency matrix $A$ including self-connections is given by $\tilde{A}$
-* The degree matrix of the corrected adjacency matrix is given by $\tilde{D}_{ii} = \Sigma_j \tilde{A}_{ij}$
-* The weights of the given layer are called $W^{(l)}$
-* $H^{(l)}$ is the matrix for activations in layer $l$
-::::
-:::: {.column width=40%}
-\begin{center}
-\includegraphics[width=1.1\textwidth]{figures/GCN.png}
-\normalsize
-\end{center}
-\tiny \url{https://arxiv.org/abs/1609.02907} 
-::::
-:::
-
-
-## Architecture: Graph Attention Network
-
-::: columns
-:::: {.column width=50%}
-* Calculate the attention coefficients $e_{ij}$ from the features $\vec{h}$ for each node $i$ with its neighbors $j$
-$$ e_{ij} = a\left( W\vec{h}_i, W\vec{h}_j \right)$$
-$a$: learnable weight vector 
-* Normalize attention coefficients 
-$$ \alpha_{ij} = \text{softmax}_j(e_{ij}) = \frac{\text{exp}(e_{ij})}{\Sigma_k \text{exp}(e_{ik})} $$
-* Calculate node features 
-$$
-\vec{h}^{(l+1)}_i = \sigma \left( \Sigma \alpha_{ij} W \vec{h}^l_j \right)$$
-::::
-:::: {.column width=50%}
-\begin{center}
-\includegraphics[width=1.1\textwidth]{figures/GraphAttention.png}
-\normalsize
-\end{center}
-\tiny \url{https://arxiv.org/abs/1710.10903} 
-::::
-:::
-
-## Example: Identification of inelastic interactions in TRD
-
-
-::: columns
-:::: {.column width=60%}
-* Identification of inelastic interactions of light antinuclei
-in the Transition Radiation Detector in ALICE
-* Thesis: \url{https://www.physi.uni-heidelberg.de/Publications/Bachelor_Thesis_Maximilian_Hammermann.pdf}
-* Construct nearest neighbor graph from signals in detector
-* Use global pooling for graph classification
-::::
-:::: {.column width=40%}
-
-interaction of antideuteron:
-
-\begin{center}
-\includegraphics[width=0.8\textwidth]{figures/antideuteronsgnMax.png}
-\normalsize
-\end{center}
-::::
-:::
-
-
-\begin{center}
-\includegraphics[width=0.9\textwidth]{figures/GNN_conf.png}
-\normalsize
-\end{center}
-
-
-
-## Example: Google Maps
-
-* link: \url{https://www.deepmind.com/blog/traffic-prediction-with-advanced-graph-neural-networks}
-* GNNs are used for traffic predictions and estimated times of arrival (ETAs)
-
-\begin{center}
-\includegraphics[width=0.8\textwidth]{figures/GNNgooglemaps.png}
-\normalsize
-\end{center}
-
-
-## Example: Alpha Fold
-* link: \url{https://www.deepmind.com/blog/alphafold-a-solution-to-a-50-year-old-grand-challenge-in-biology}
-* "A folded protein can be thought of as a 'spatial graph', where residues are the nodes and edges connect the residues in close proximity"
-
-\begin{center}
-\includegraphics[width=0.9\textwidth]{figures/alphafold.png}
-\normalsize
-\end{center}
-
-## Exercise 1: Illustration of Graphs and Graph Neural Networks
-
-On the PyTorch webpage, you can find official examples for the application of Graph Neural Networks:
-https://pytorch-geometric.readthedocs.io/en/latest/get_started/colabs.html
-
-\vspace{3ex}
-
-The first introduction notebook shows the functionality of graphs with the example of the Karate Club. Follow and reproduce the first [\textcolor{green}{notebook}](https://colab.research.google.com/drive/1h3-vJGRVloF5zStxL5I0rSy4ZUPNsjy8?usp=sharing). Study and understand the data format.
-
-\vspace{3ex}
-
-At the end, the separation power of Graph Convolutional Networks (GCN) are shown via the node embeddings. You can replace the GCN with a Graph Attention Layers and compare the results. 
-
-
-
-
-
-
-
-