Trying to train a variable GNN w/ GeometricFlux.jl

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I am trying to train a gated graph neural network to predict molecular properties with GeometricFlux.jl: GitHub - FluxML/GeometricFlux.jl: Geometric Deep Learning for Flux

The inputs are FeaturedGraph objects of various morphologies. After quite a bit of trial-and-error, I have reached a point where the exception message is opaque to me and I do not know how to proceed. Code being used is here: Trying to train a variable GNN w/ GeometricFlux.jl · GitHub

The error message is: LoadError: MethodError: _pullback(::Zygote.Context, ::typeof(hcat)) is ambiguous.

Can @yuehhua or anyone else suggest what is wrong?

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2

You should provide more details. A minimum working example and in this case versions of your packages.

3

Julia 1.6.0
Flux 0.12.1
GeometricFlux 0.7.6
GraphSignals 0.1.13
LightGraphs 1.3.5
MetaGraphs 0.6.7
Zygote 0.6.13

Minimal code to reproduce idea and error:

using Flux, GeometricFlux, MetaGraphs

# convert a MetaGraph to FeaturedGraph
mg = MetaGraph()
add_vertices!(mg, 3)
add_edge!(mg, 1, 2)
add_edge!(mg, 2, 3)
adj_mat = adjacency_matrix(mg)
g = FeaturedGraph(adj_mat; nf=ones(2, nv(mg)))

# train the model
model = Chain(GatedGraphConv(2, 1, aggr=:mean), softmax)
loss(x, y) = Flux.mse(model(x), y)
@Flux.epochs 1 Flux.train!(
    loss, 
    Flux.params(model), 
    [(g, 1.0)], 
    ADAM()
)
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5

The related Stack overflow question: julia - Trying to train a variable GNN w/ GeometricFlux.jl - Stack Overflow I took a look at this but it’s beyond my understanding at the moment.

6

Sorry for being late. Could you give the full error messages? It seems like the error occurs on AD for hcat.