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NS-CUK Seminar: V.T.Hoang, Review on "Everything is Connected: Graph Neural Networks," Current Opinion in Structural Biology, Mar 6th, 2023

Network Science, Artificial Intelligence
24 de Mar de 2023
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NS-CUK Seminar: V.T.Hoang, Review on "Everything is Connected: Graph Neural Networks," Current Opinion in Structural Biology, Mar 6th, 2023

  1. Hoang Van Thuy Network Science Lab E-mail: hoangvanthuy90@gmail.com
  2. 1 • GFF, graph neural networks are trained greedily layer by layer, using both positive and negative samples • Solve the noise from neighbours
  3. 2 The fundamentals: Permutation equivariance and invariance ➢ node feature matrix. ➢ adjacency matrix, A ➢ Neighbours of nodes ➢ Features ➢ Hidden state
  4. 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
  5. 4 Graph Neural Networks ➢ Convolutional
  6. 5 Graph Neural Networks ➢ Attentional
  7. 6 Graph Neural Networks ➢ Message-passing
  8. 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)
  9. 8 Tasks ➢ Node classification. ➢ Graph classification. ➢ Link prediction
  10. 9 GNNs without a graph: Deep Sets and Transformers ➢ Deep Sets
  11. 10 GNNs without a graph: Deep Sets and Transformers ➢ To reverse-engineer why Transformers appear here, let us consider the NLP perspective.
  12. 11 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!
  13. 12
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