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Merged
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Feb 6, 2025
Merged

better inference for num_nodes #588

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22 changes: 18 additions & 4 deletions GNNGraphs/src/gnngraph.jl
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Original file line number Diff line number Diff line change
@@ -1,4 +1,4 @@
#===================================
#============================================
Define GNNGraph type as a subtype of Graphs.AbstractGraph.
For the core methods to be implemented by any AbstractGraph, see
https://juliagraphs.org/Graphs.jl/latest/types/#AbstractGraph-Type
Expand Down Expand Up @@ -103,7 +103,6 @@ source, target = edge_index(g)
```
A `GNNGraph` can be sent to the GPU, for example by using Flux.jl's `gpu` function
or MLDataDevices.jl's utilities.
```
"""
struct GNNGraph{T <: Union{COO_T, ADJMAT_T}} <: AbstractGNNGraph{T}
graph::T
Expand All @@ -127,6 +126,12 @@ function GNNGraph(data::D;
@assert graph_type ∈ [:coo, :dense, :sparse] "Invalid graph_type $graph_type requested"
@assert dir ∈ [:in, :out]

if num_nodes === nothing && ndata !== nothing
# Infer num_nodes from ndata
# Should be more robust than inferring from data
num_nodes = numobs(ndata)
end

if graph_type == :coo
graph, num_nodes, num_edges = to_coo(data; num_nodes, dir)
elseif graph_type == :dense
Expand All @@ -151,7 +156,16 @@ function GNNGraph(data::D;
ndata, edata, gdata)
end

GNNGraph(; kws...) = GNNGraph(0; kws...)
function GNNGraph(; num_nodes=nothing, ndata=nothing, kws...)
if num_nodes === nothing
if ndata === nothing
num_nodes = 0
else
num_nodes = numobs(ndata)
end
end
return GNNGraph(num_nodes; ndata, kws...)
end

function (::Type{<:GNNGraph})(num_nodes::T; kws...) where {T <: Integer}
s, t = T[], T[]
Expand All @@ -162,7 +176,7 @@ Base.zero(::Type{G}) where {G <: GNNGraph} = G(0)

# COO convenience constructors
function GNNGraph(s::AbstractVector, t::AbstractVector, v = nothing; kws...)
GNNGraph((s, t, v); kws...)
return GNNGraph((s, t, v); kws...)
end
GNNGraph((s, t)::NTuple{2}; kws...) = GNNGraph((s, t, nothing); kws...)

Expand Down
18 changes: 18 additions & 0 deletions GNNGraphs/test/gnngraph.jl
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Expand Up @@ -213,6 +213,24 @@ end
end
end

@testitem "Constructor: empty" setup=[GraphsTestModule] begin
g = GNNGraph(ndata=ones(2, 1))
@test g.num_nodes == 1
@test g.num_edges == 0
@test g.ndata.x == ones(2, 1)

g = GNNGraph(num_nodes=1)
@test g.num_nodes == 1
@test g.num_edges == 0
@test isempty(g.ndata)

g = GNNGraph((Int[], Int[]); ndata=(; a=[1]))
@test g.num_nodes == 1
@test g.num_edges == 0
@test g.ndata.a == [1]
end


@testitem "Features" setup=[GraphsTestModule] begin
using .GraphsTestModule
for GRAPH_T in GRAPH_TYPES
Expand Down