NS-CUK Seminar: V.T.Hoang, Review on "Everything is Connected: Graph Neural Networks," Current Opinion in Structural Biology, Mar 6th, 2023
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The 2nd NS-CUK Weekly Seminar
Presenter: Van Thuy Hoang
Date: Mar 6th, 2023
Topic: Review on "Everything is Connected: Graph Neural Networks," Current Opinion in Structural Biology
Schedule: https://nslab-cuk.github.io/seminar/
Similar a NS-CUK Seminar: V.T.Hoang, Review on "Everything is Connected: Graph Neural Networks," Current Opinion in Structural Biology, Mar 6th, 2023(20)
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• GFF, graph neural networks are trained
greedily layer by layer, using both positive
and negative samples
• Solve the noise from neighbours
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The fundamentals: Permutation equivariance and invariance
➢ node feature matrix.
➢ adjacency matrix, A
➢ Neighbours of nodes
➢ Features
➢ Hidden state
3
Graph Neural Networks
➢ Main Idea: Pass massages between pairs of nodes and agglomerate
➢ Alternative Interpretation: Pass massages between nodes to refine node
(and possibly edge) representations
7
Graph Neural Networks
➢ Graph Convolutional Networks (GCNs)
Kipf & Welling (ICLR 2017), related previous works by D
uvenaud et al. (NIPS 2015) and Li et al. (ICLR 2016)
10
GNNs without a graph: Deep Sets and Transformers
➢ To reverse-engineer why Transformers appear here,
let us consider the NLP perspective.
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GNNs beyond permutation equivariance: Geometric Graphs
➢ We have assumed our graphs to be a discrete, unordered, collection of
nodes and edges—hence, only susceptible to permutation symmetries.
➢ But in many cases, this is not the entire story!