Merge pull request #75 from yuehhua/gno

Fix GraphKernel

Author: foldfelis

src/graph_kernel.jl

@@ -28,17 +28,22 @@ end
 
 Flux.@functor GraphKernel
 
-function GeometricFlux.message(l::GraphKernel, x_i::AbstractArray, x_j::AbstractArray, e_ij)
-    return l.κ(vcat(x_i, x_j))
+function GeometricFlux.message(l::GraphKernel, x_i, x_j::AbstractArray, e_ij::AbstractArray)
+    N = size(x_j, 1)
+    K = l.κ(e_ij)
+    dims = size(K)[2:end]
+    m_ij = GeometricFlux._matmul(reshape(K, N, N, :), reshape(x_j, N, 1, :))
+    return reshape(m_ij, N, dims...)
 end
 
 function GeometricFlux.update(l::GraphKernel, m::AbstractArray, x::AbstractArray)
     return l.σ.(GeometricFlux._matmul(l.linear, x) + m)
 end
 
-function (l::GraphKernel)(el::NamedTuple, X::AbstractArray)
+function (l::GraphKernel)(el::NamedTuple, X::AbstractArray, E::AbstractArray)
     GraphSignals.check_num_nodes(el.N, X)
-    _, V, _ = GeometricFlux.propagate(l, el, nothing, X, nothing, mean, nothing, nothing)
+    GraphSignals.check_num_nodes(el.E, E)
+    _, V, _ = GeometricFlux.propagate(l, el, E, X, nothing, mean, nothing, nothing)
     return V
 end
 

test/graph_kernel.jl

@@ -1,16 +1,19 @@
 @testset "GraphKernel" begin
     batch_size = 5
     channel = 32
-    N = 10 * 10
+    coord_dim = 2
+    N = 10
 
-    κ = Dense(2 * channel, channel, relu)
+    graph = grid([N, N])
+    κ = Dense(2(coord_dim + 1), abs2(channel), relu)
 
-    graph = grid([10, 10])
-    𝐱 = rand(Float32, channel, N, batch_size)
+    𝐱 = rand(Float32, channel, nv(graph), batch_size)
+    E = rand(Float32, 2(coord_dim + 1), ne(graph), batch_size)
     l = WithGraph(FeaturedGraph(graph), GraphKernel(κ, channel))
-    @test repr(l.layer) == "GraphKernel(Dense(64 => 32, relu), channel=32)"
-    @test size(l(𝐱)) == (channel, N, batch_size)
+    @test repr(l.layer) ==
+          "GraphKernel(Dense($(2(coord_dim + 1)) => $(abs2(channel)), relu), channel=32)"
+    @test size(l(𝐱, E)) == (channel, nv(graph), batch_size)
 
-    g = Zygote.gradient(() -> sum(l(𝐱)), Flux.params(l))
+    g = Zygote.gradient(() -> sum(l(𝐱, E)), Flux.params(l))
     @test length(g.grads) == 3
 end