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An attempt at demystifying graph deep learning

ericmjl.github.io

1–10 of 22 posts

Re: An attempt at demystifying graph deep learning

#3

If you understand transformers, you understand the basics behind any neural "graph network" method. They are exceedingly simple

Oh! Is that what I've been missing for two years?

Well, when you phrase it like that... Hmm. Yup, I'm an idiot.

<3

Re: An attempt at demystifying graph deep learning

#4
In case you're interested in learning about graph deep learning, and are familiar with standard DL, I strongly recommend these two very good, recent books (freely available):

[1] Graph Representation Learning - William L. Hamilton https://www.cs.mcgill.ca/~wlh/grl_book/

[2] Deep Learning on Graphs - Yao Ma, Jilian Tang https://cse.msu.edu/~mayao4/dlg_book/

Re: An attempt at demystifying graph deep learning

#5
What's the current killer app of GNNs? By that I mean, in which tasks is using a GNN-based approach obviously better?

Conceptually, just by framing the graph as a mxm matrix I assume the most obvious comparison would be against some sort of dimensionality reduction for node embedding. Should I see graph(node) embedding as an alternative to e.g. PCA, LDA, t-SNE and UMAP and variants?

Re: An attempt at demystifying graph deep learning

#10
post #5

What's the current killer app of GNNs? By that I mean, in which tasks is using a GNN-based approach obviously better? Conceptually, just by framing the graph as a mxm matrix I assume the most obvious comparison would be against some sort of dimensionality reduction for node embedding. Should I see graph(node) embedding as an alternative to e.g. PCA, LDA, t-SNE and UMAP and variants?

It’s pretty clearly the current best way to do deep learning on molecules in chemistry. Transformers do really well in predicting reaction outcomes but GCNNs are still better when it comes to “is this a good molecule according to this label” type questions. That said, we have added attention layers to GCNNs so I think the lines get blurry.
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