From 89fccea925707ba9b563e8d2fac0b518f77b7f37 Mon Sep 17 00:00:00 2001 From: rbSparky Date: Mon, 30 Sep 2024 13:35:14 +0530 Subject: [PATCH 01/17] trying transformerconv --- GNNLux/src/GNNLux.jl | 2 +- GNNLux/src/layers/conv.jl | 93 ++++++++++++++++++++ GNNLux/test/layers/conv_tests.jl | 12 +++ Project.toml | 140 +++++++++++++++++++++++++++++++ 4 files changed, 246 insertions(+), 1 deletion(-) create mode 100644 Project.toml diff --git a/GNNLux/src/GNNLux.jl b/GNNLux/src/GNNLux.jl index 2a9cc5852..1aaa70b6b 100644 --- a/GNNLux/src/GNNLux.jl +++ b/GNNLux/src/GNNLux.jl @@ -38,7 +38,7 @@ export AGNNConv, # SAGEConv, SGConv # TAGConv, - # TransformerConv + TransformerConv include("layers/temporalconv.jl") export TGCN, diff --git a/GNNLux/src/layers/conv.jl b/GNNLux/src/layers/conv.jl index fbf7ad7c2..484c5d9a2 100644 --- a/GNNLux/src/layers/conv.jl +++ b/GNNLux/src/layers/conv.jl @@ -844,3 +844,96 @@ function Base.show(io::IO, l::ResGatedGraphConv) l.use_bias || print(io, ", use_bias=false") print(io, ")") end + +@concrete struct TransformerConv <: GNNContainerLayer{(:W1, :W2, :W3, :W4, :W5, :W6, :FF, :BN1, :BN2)} + in_dims::NTuple{2, Int} + out_dims::Int + heads::Int + add_self_loops::Bool + concat::Bool + skip_connection::Bool + sqrt_out::Float32 + W1 + W2 + W3 + W4 + W5 + W6 + FF + BN1 + BN2 +end + +function TransformerConv(ch::Pair{Int, Int}, args...; kws...) + TransformerConv((ch[1], 0) => ch[2], args...; kws...) +end + +function TransformerConv(ch::Pair{NTuple{2, Int}, Int}; + heads::Int = 1, + concat::Bool = true, + init_weight = glorot_uniform, + init_bias = zeros32, + add_self_loops::Bool = false, + bias_qkv = true, + bias_root::Bool = true, + root_weight::Bool = true, + gating::Bool = false, + skip_connection::Bool = false, + batch_norm::Bool = false, + ff_channels::Int = 0) + + (in, ein), out = ch + + if add_self_loops + @assert iszero(ein) "Using edge features and setting add_self_loops=true at the same time is not yet supported." + end + + W1 = root_weight ? + Dense(in => out * (concat ? heads : 1); use_bias = bias_root, init_weight, init_bias) : nothing + W2 = Dense(in => out * heads; use_bias = bias_qkv, init_weight, init_bias) + W3 = Dense(in => out * heads; use_bias = bias_qkv, init_weight, init_bias) + W4 = Dense(in => out * heads; use_bias = bias_qkv, init_weight, init_bias) + out_mha = out * (concat ? heads : 1) + W5 = gating ? Dense(3 * out_mha => 1, sigmoid; use_bias = false, init_weight, init_bias) : nothing + W6 = ein > 0 ? Dense(ein => out * heads; use_bias = bias_qkv, init_weight, init_bias) : nothing + FF = ff_channels > 0 ? + Chain(Dense(out_mha => ff_channels, relu; init_weight, init_bias), + Dense(ff_channels => out_mha; init_weight, init_bias)) : nothing + BN1 = batch_norm ? BatchNorm(out_mha) : nothing + BN2 = (batch_norm && ff_channels > 0) ? BatchNorm(out_mha) : nothing + + return TransformerConv((in, ein), out, heads, add_self_loops, concat, + skip_connection, Float32(√out), W1, W2, W3, W4, W5, W6, FF, BN1, BN2) +end + +LuxCore.outputsize(l::TransformerConv) = (l.out_dims,) + +function (l::TransformerConv)(g, x, ps, st) + l(g, x, nothing, ps, st) +end + +function (l::TransformerConv)(g, x, e, ps, st) + W1 = l.W1 === nothing ? nothing : + StatefulLuxLayer{true}(l.W1, ps.W1, _getstate(st, :W1)) + W2 = StatefulLuxLayer{true}(l.W2, ps.W2, _getstate(st, :W2)) + W3 = StatefulLuxLayer{true}(l.W3, ps.W3, _getstate(st, :W3)) + W4 = StatefulLuxLayer{true}(l.W4, ps.W4, _getstate(st, :W4)) + W5 = l.W5 === nothing ? nothing : + StatefulLuxLayer{true}(l.W5, ps.W5, _getstate(st, :W5)) + W6 = l.W6 === nothing ? nothing : + StatefulLuxLayer{true}(l.W6, ps.W6, _getstate(st, :W6)) + FF = l.FF === nothing ? nothing : + StatefulLuxLayer{true}(l.FF, ps.FF, _getstate(st, :FF)) + BN1 = l.BN1 === nothing ? nothing : + StatefulLuxLayer{true}(l.BN1, ps.BN1, _getstate(st, :BN1)) + BN2 = l.BN2 === nothing ? nothing : + StatefulLuxLayer{true}(l.BN2, ps.BN2, _getstate(st, :BN2)) + m = (; W1, W2, W3, W4, W5, W6, FF, BN1, BN2, l.sqrt_out, + l.heads, l.concat, l.skip_connection) + return GNNlib.transformer_conv(m, g, x, e), st +end + +function Base.show(io::IO, l::TransformerConv) + (in, ein), out = (l.in_dims, l.out_dims) + print(io, "TransformerConv(($in, $ein) => $out, heads=$(l.heads))") +end \ No newline at end of file diff --git a/GNNLux/test/layers/conv_tests.jl b/GNNLux/test/layers/conv_tests.jl index 6541dfe0c..f87b1b1f3 100644 --- a/GNNLux/test/layers/conv_tests.jl +++ b/GNNLux/test/layers/conv_tests.jl @@ -134,4 +134,16 @@ l = ResGatedGraphConv(in_dims => out_dims, tanh) test_lux_layer(rng, l, g, x, outputsize=(out_dims,)) end + + @testset "TransformerConv" begin + x = randn(rng, Float32, 6, 10) + ein = 2 + e = randn(rng, Float32, ein, g.num_edges) + + l = TransformerConv((6, ein) => 8, heads = 2, gating = true, bias_qkv = true) + test_lux_layer(rng, l, g, x, outputsize = (8,), e = e, container = true) + + l = TransformerConv((6, ein) => 8, heads = 2, concat = false, skip_connection = true) + test_lux_layer(rng, l, g, x, outputsize = (8,), e = e, container = true) + end end diff --git a/Project.toml b/Project.toml new file mode 100644 index 000000000..a89e99a54 --- /dev/null +++ b/Project.toml @@ -0,0 +1,140 @@ +[deps] +AbstractFFTs = "621f4979-c628-5d54-868e-fcf4e3e8185c" +Accessors = "7d9f7c33-5ae7-4f3b-8dc6-eff91059b697" +Adapt = "79e6a3ab-5dfb-504d-930d-738a2a938a0e" +ArgCheck = "dce04be8-c92d-5529-be00-80e4d2c0e197" +ArgTools = "0dad84c5-d112-42e6-8d28-ef12dabb789f" +ArnoldiMethod = "ec485272-7323-5ecc-a04f-4719b315124d" +Artifacts = "56f22d72-fd6d-98f1-02f0-08ddc0907c33" +Atomix = "a9b6321e-bd34-4604-b9c9-b65b8de01458" +BangBang = "198e06fe-97b7-11e9-32a5-e1d131e6ad66" +Base64 = "2a0f44e3-6c83-55bd-87e4-b1978d98bd5f" +Baselet = "9718e550-a3fa-408a-8086-8db961cd8217" +CEnum 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"3f19e933-33d8-53b3-aaab-bd5110c3b7a0" From 05d5593cd2565136983c20ce16a09db6ba96c2ad Mon Sep 17 00:00:00 2001 From: Rishabh <59335537+rbSparky@users.noreply.github.com> Date: Mon, 30 Sep 2024 13:52:57 +0530 Subject: [PATCH 02/17] Delete Project.toml --- Project.toml | 140 --------------------------------------------------- 1 file changed, 140 deletions(-) delete mode 100644 Project.toml diff --git a/Project.toml b/Project.toml deleted file mode 100644 index a89e99a54..000000000 --- a/Project.toml +++ /dev/null @@ -1,140 +0,0 @@ -[deps] -AbstractFFTs = "621f4979-c628-5d54-868e-fcf4e3e8185c" -Accessors = "7d9f7c33-5ae7-4f3b-8dc6-eff91059b697" -Adapt = "79e6a3ab-5dfb-504d-930d-738a2a938a0e" -ArgCheck = "dce04be8-c92d-5529-be00-80e4d2c0e197" -ArgTools = "0dad84c5-d112-42e6-8d28-ef12dabb789f" -ArnoldiMethod = "ec485272-7323-5ecc-a04f-4719b315124d" -Artifacts = "56f22d72-fd6d-98f1-02f0-08ddc0907c33" -Atomix = "a9b6321e-bd34-4604-b9c9-b65b8de01458" -BangBang = 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-libblastrampoline_jll = "8e850b90-86db-534c-a0d3-1478176c7d93" -nghttp2_jll = "8e850ede-7688-5339-a07c-302acd2aaf8d" -p7zip_jll = "3f19e933-33d8-53b3-aaab-bd5110c3b7a0" From fea71c92f6cbba9e18f4f25f1a07ff3c836335d3 Mon Sep 17 00:00:00 2001 From: Rishabh <59335537+rbSparky@users.noreply.github.com> Date: Mon, 30 Sep 2024 14:21:54 +0530 Subject: [PATCH 03/17] Update GNNLux.jl --- GNNLux/src/GNNLux.jl | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/GNNLux/src/GNNLux.jl b/GNNLux/src/GNNLux.jl index 1aaa70b6b..8355109f3 100644 --- a/GNNLux/src/GNNLux.jl +++ b/GNNLux/src/GNNLux.jl @@ -36,7 +36,7 @@ export AGNNConv, NNConv, ResGatedGraphConv, # SAGEConv, - SGConv + SGConv, # TAGConv, TransformerConv @@ -49,4 +49,4 @@ export TGCN, EvolveGCNO end #module - \ No newline at end of file + From be04df5a3421308c57d14f758742108bd7dfbb8a Mon Sep 17 00:00:00 2001 From: Rishabh <59335537+rbSparky@users.noreply.github.com> Date: Mon, 30 Sep 2024 14:32:47 +0530 Subject: [PATCH 04/17] Update conv.jl: self loops --- GNNLux/src/layers/conv.jl | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/GNNLux/src/layers/conv.jl b/GNNLux/src/layers/conv.jl index 484c5d9a2..d1353b9c2 100644 --- a/GNNLux/src/layers/conv.jl +++ b/GNNLux/src/layers/conv.jl @@ -929,11 +929,11 @@ function (l::TransformerConv)(g, x, e, ps, st) BN2 = l.BN2 === nothing ? nothing : StatefulLuxLayer{true}(l.BN2, ps.BN2, _getstate(st, :BN2)) m = (; W1, W2, W3, W4, W5, W6, FF, BN1, BN2, l.sqrt_out, - l.heads, l.concat, l.skip_connection) + l.heads, l.concat, l.skip_connection, l.add_self_loops) return GNNlib.transformer_conv(m, g, x, e), st end function Base.show(io::IO, l::TransformerConv) (in, ein), out = (l.in_dims, l.out_dims) print(io, "TransformerConv(($in, $ein) => $out, heads=$(l.heads))") -end \ No newline at end of file +end From 8b9751bacb78a82614f2c6807bf3ff7c9e645a2b Mon Sep 17 00:00:00 2001 From: Rishabh <59335537+rbSparky@users.noreply.github.com> Date: Mon, 30 Sep 2024 14:48:24 +0530 Subject: [PATCH 05/17] Update conv.jl: parameter length fixing --- GNNLux/src/layers/conv.jl | 12 ++++++++++++ 1 file changed, 12 insertions(+) diff --git a/GNNLux/src/layers/conv.jl b/GNNLux/src/layers/conv.jl index d1353b9c2..9a54ff7c7 100644 --- a/GNNLux/src/layers/conv.jl +++ b/GNNLux/src/layers/conv.jl @@ -912,6 +912,18 @@ function (l::TransformerConv)(g, x, ps, st) l(g, x, nothing, ps, st) end +function LuxCore.parameterlength(l::TransformerConv) + n = parameterlength(l.W2) + parameterlength(l.W3) + + parameterlength(l.W4) + (l.W6 === nothing ? 0 : parameterlength(l.W6)) + + n += l.W1 === nothing ? 0 : parameterlength(l.W1) + n += l.W5 === nothing ? 0 : parameterlength(l.W5) + n += l.FF === nothing ? 0 : parameterlength(l.FF) + n += l.BN1 === nothing ? 0 : parameterlength(l.BN1) + n += l.BN2 === nothing ? 0 : parameterlength(l.BN2) + return n +end + function (l::TransformerConv)(g, x, e, ps, st) W1 = l.W1 === nothing ? nothing : StatefulLuxLayer{true}(l.W1, ps.W1, _getstate(st, :W1)) From a6a11bdb50806a0c050797058751b930bffecb08 Mon Sep 17 00:00:00 2001 From: Rishabh <59335537+rbSparky@users.noreply.github.com> Date: Mon, 30 Sep 2024 15:01:37 +0530 Subject: [PATCH 06/17] Update conv.jl --- GNNLux/src/layers/conv.jl | 55 +++++++++++++++++++++++---------------- 1 file changed, 32 insertions(+), 23 deletions(-) diff --git a/GNNLux/src/layers/conv.jl b/GNNLux/src/layers/conv.jl index 9a54ff7c7..1254fb284 100644 --- a/GNNLux/src/layers/conv.jl +++ b/GNNLux/src/layers/conv.jl @@ -844,7 +844,6 @@ function Base.show(io::IO, l::ResGatedGraphConv) l.use_bias || print(io, ", use_bias=false") print(io, ")") end - @concrete struct TransformerConv <: GNNContainerLayer{(:W1, :W2, :W3, :W4, :W5, :W6, :FF, :BN1, :BN2)} in_dims::NTuple{2, Int} out_dims::Int @@ -853,15 +852,15 @@ end concat::Bool skip_connection::Bool sqrt_out::Float32 - W1 - W2 - W3 - W4 - W5 - W6 - FF - BN1 - BN2 + W1 + W2 + W3 + W4 + W5 + W6 + FF + BN1 + BN2 end function TransformerConv(ch::Pair{Int, Int}, args...; kws...) @@ -912,18 +911,6 @@ function (l::TransformerConv)(g, x, ps, st) l(g, x, nothing, ps, st) end -function LuxCore.parameterlength(l::TransformerConv) - n = parameterlength(l.W2) + parameterlength(l.W3) + - parameterlength(l.W4) + (l.W6 === nothing ? 0 : parameterlength(l.W6)) - - n += l.W1 === nothing ? 0 : parameterlength(l.W1) - n += l.W5 === nothing ? 0 : parameterlength(l.W5) - n += l.FF === nothing ? 0 : parameterlength(l.FF) - n += l.BN1 === nothing ? 0 : parameterlength(l.BN1) - n += l.BN2 === nothing ? 0 : parameterlength(l.BN2) - return n -end - function (l::TransformerConv)(g, x, e, ps, st) W1 = l.W1 === nothing ? nothing : StatefulLuxLayer{true}(l.W1, ps.W1, _getstate(st, :W1)) @@ -941,10 +928,32 @@ function (l::TransformerConv)(g, x, e, ps, st) BN2 = l.BN2 === nothing ? nothing : StatefulLuxLayer{true}(l.BN2, ps.BN2, _getstate(st, :BN2)) m = (; W1, W2, W3, W4, W5, W6, FF, BN1, BN2, l.sqrt_out, - l.heads, l.concat, l.skip_connection, l.add_self_loops) + l.heads, l.concat, l.skip_connection, l.add_self_loops, l.in_dims) return GNNlib.transformer_conv(m, g, x, e), st end +function LuxCore.parameterlength(l::TransformerConv) + n = parameterlength(l.W1) + parameterlength(l.W2) + + parameterlength(l.W3) + parameterlength(l.W4) + + parameterlength(l.W5) + parameterlength(l.W6) + + n += l.FF === nothing ? 0 : parameterlength(l.FF) + n += l.BN1 === nothing ? 0 : parameterlength(l.BN1) + n += l.BN2 === nothing ? 0 : parameterlength(l.BN2) + return n +end + +function LuxCore.statelength(l::TransformerConv) + n = statelength(l.W1) + statelength(l.W2) + + statelength(l.W3) + statelength(l.W4) + + statelength(l.W5) + statelength(l.W6) + + n += l.FF === nothing ? 0 : statelength(l.FF) + n += l.BN1 === nothing ? 0 : statelength(l.BN1) + n += l.BN2 === nothing ? 0 : statelength(l.BN2) + return n +end + function Base.show(io::IO, l::TransformerConv) (in, ein), out = (l.in_dims, l.out_dims) print(io, "TransformerConv(($in, $ein) => $out, heads=$(l.heads))") From c69849f9e73db5fe471e35323b34302a1611a30c Mon Sep 17 00:00:00 2001 From: Rishabh <59335537+rbSparky@users.noreply.github.com> Date: Mon, 30 Sep 2024 15:11:51 +0530 Subject: [PATCH 07/17] Update conv.jl: out dims --- GNNLux/src/layers/conv.jl | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/GNNLux/src/layers/conv.jl b/GNNLux/src/layers/conv.jl index 1254fb284..cc6ddc57f 100644 --- a/GNNLux/src/layers/conv.jl +++ b/GNNLux/src/layers/conv.jl @@ -928,7 +928,7 @@ function (l::TransformerConv)(g, x, e, ps, st) BN2 = l.BN2 === nothing ? nothing : StatefulLuxLayer{true}(l.BN2, ps.BN2, _getstate(st, :BN2)) m = (; W1, W2, W3, W4, W5, W6, FF, BN1, BN2, l.sqrt_out, - l.heads, l.concat, l.skip_connection, l.add_self_loops, l.in_dims) + l.heads, l.concat, l.skip_connection, l.add_self_loops, l.in_dims, l.out_dims) return GNNlib.transformer_conv(m, g, x, e), st end From e8facbdf044a7fc7d5e775c1a12a0c9a0c57ee80 Mon Sep 17 00:00:00 2001 From: rbSparky Date: Mon, 30 Sep 2024 15:30:02 +0530 Subject: [PATCH 08/17] out dims --- GNNlib/src/layers/conv.jl | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/GNNlib/src/layers/conv.jl b/GNNlib/src/layers/conv.jl index e310fa81c..9644d63aa 100644 --- a/GNNlib/src/layers/conv.jl +++ b/GNNlib/src/layers/conv.jl @@ -559,7 +559,7 @@ function transformer_conv(l, g::GNNGraph, x::AbstractMatrix, e::Union{AbstractM g = add_self_loops(g) end - out = l.channels[2] + out = l.out_dims heads = l.heads W1x = !isnothing(l.W1) ? l.W1(x) : nothing W2x = reshape(l.W2(x), out, heads, :) From 1bc673a6839b6669746e148e187a5a98a077e479 Mon Sep 17 00:00:00 2001 From: Rishabh <59335537+rbSparky@users.noreply.github.com> Date: Mon, 30 Sep 2024 15:32:22 +0530 Subject: [PATCH 09/17] Update conv_tests.jl --- GNNLux/test/layers/conv_tests.jl | 24 ++++++++++++------------ 1 file changed, 12 insertions(+), 12 deletions(-) diff --git a/GNNLux/test/layers/conv_tests.jl b/GNNLux/test/layers/conv_tests.jl index f87b1b1f3..542fa151f 100644 --- a/GNNLux/test/layers/conv_tests.jl +++ b/GNNLux/test/layers/conv_tests.jl @@ -5,6 +5,18 @@ out_dims = 5 x = randn(rng, Float32, in_dims, 10) + @testset "TransformerConv" begin + x = randn(rng, Float32, 6, 10) + ein = 2 + e = randn(rng, Float32, ein, g.num_edges) + + l = TransformerConv((6, ein) => 8, heads = 2, gating = true, bias_qkv = true) + test_lux_layer(rng, l, g, x, outputsize = (8,), e = e, container = true) + + l = TransformerConv((6, ein) => 8, heads = 2, concat = false, skip_connection = true) + test_lux_layer(rng, l, g, x, outputsize = (8,), e = e, container = true) + end + @testset "GCNConv" begin l = GCNConv(in_dims => out_dims, tanh) test_lux_layer(rng, l, g, x, outputsize=(out_dims,)) @@ -134,16 +146,4 @@ l = ResGatedGraphConv(in_dims => out_dims, tanh) test_lux_layer(rng, l, g, x, outputsize=(out_dims,)) end - - @testset "TransformerConv" begin - x = randn(rng, Float32, 6, 10) - ein = 2 - e = randn(rng, Float32, ein, g.num_edges) - - l = TransformerConv((6, ein) => 8, heads = 2, gating = true, bias_qkv = true) - test_lux_layer(rng, l, g, x, outputsize = (8,), e = e, container = true) - - l = TransformerConv((6, ein) => 8, heads = 2, concat = false, skip_connection = true) - test_lux_layer(rng, l, g, x, outputsize = (8,), e = e, container = true) - end end From 7bc5c423bc711c544a6c5d67840eda64f3de78ea Mon Sep 17 00:00:00 2001 From: Rishabh <59335537+rbSparky@users.noreply.github.com> Date: Mon, 30 Sep 2024 15:43:16 +0530 Subject: [PATCH 10/17] Update conv.jl --- GNNLux/src/layers/conv.jl | 37 ++++++++++++++++++------------------- 1 file changed, 18 insertions(+), 19 deletions(-) diff --git a/GNNLux/src/layers/conv.jl b/GNNLux/src/layers/conv.jl index cc6ddc57f..029c20ad7 100644 --- a/GNNLux/src/layers/conv.jl +++ b/GNNLux/src/layers/conv.jl @@ -844,6 +844,7 @@ function Base.show(io::IO, l::ResGatedGraphConv) l.use_bias || print(io, ", use_bias=false") print(io, ")") end + @concrete struct TransformerConv <: GNNContainerLayer{(:W1, :W2, :W3, :W4, :W5, :W6, :FF, :BN1, :BN2)} in_dims::NTuple{2, Int} out_dims::Int @@ -864,7 +865,7 @@ end end function TransformerConv(ch::Pair{Int, Int}, args...; kws...) - TransformerConv((ch[1], 0) => ch[2], args...; kws...) + return TransformerConv((ch[1], 0) => ch[2], args...; kws...) end function TransformerConv(ch::Pair{NTuple{2, Int}, Int}; @@ -880,21 +881,19 @@ function TransformerConv(ch::Pair{NTuple{2, Int}, Int}; skip_connection::Bool = false, batch_norm::Bool = false, ff_channels::Int = 0) - (in, ein), out = ch if add_self_loops @assert iszero(ein) "Using edge features and setting add_self_loops=true at the same time is not yet supported." end - W1 = root_weight ? - Dense(in => out * (concat ? heads : 1); use_bias = bias_root, init_weight, init_bias) : nothing - W2 = Dense(in => out * heads; use_bias = bias_qkv, init_weight, init_bias) - W3 = Dense(in => out * heads; use_bias = bias_qkv, init_weight, init_bias) - W4 = Dense(in => out * heads; use_bias = bias_qkv, init_weight, init_bias) + W1 = root_weight ? Dense(in => out * (concat ? heads : 1); use_bias=bias_root, init_weight, init_bias) : nothing + W2 = Dense(in => out * heads; use_bias=bias_qkv, init_weight, init_bias) + W3 = Dense(in => out * heads; use_bias=bias_qkv, init_weight, init_bias) + W4 = Dense(in => out * heads; use_bias=bias_qkv, init_weight, init_bias) out_mha = out * (concat ? heads : 1) - W5 = gating ? Dense(3 * out_mha => 1, sigmoid; use_bias = false, init_weight, init_bias) : nothing - W6 = ein > 0 ? Dense(ein => out * heads; use_bias = bias_qkv, init_weight, init_bias) : nothing + W5 = gating ? Dense(3 * out_mha => 1, sigmoid; use_bias=false, init_weight, init_bias) : nothing + W6 = ein > 0 ? Dense(ein => out * heads; use_bias=bias_qkv, init_weight, init_bias) : nothing FF = ff_channels > 0 ? Chain(Dense(out_mha => ff_channels, relu; init_weight, init_bias), Dense(ff_channels => out_mha; init_weight, init_bias)) : nothing @@ -905,10 +904,10 @@ function TransformerConv(ch::Pair{NTuple{2, Int}, Int}; skip_connection, Float32(√out), W1, W2, W3, W4, W5, W6, FF, BN1, BN2) end -LuxCore.outputsize(l::TransformerConv) = (l.out_dims,) +LuxCore.outputsize(l::TransformerConv) = (l.concat ? l.out_dims * l.heads : l.out_dims,) function (l::TransformerConv)(g, x, ps, st) - l(g, x, nothing, ps, st) + return l(g, x, nothing, ps, st) end function (l::TransformerConv)(g, x, e, ps, st) @@ -933,10 +932,10 @@ function (l::TransformerConv)(g, x, e, ps, st) end function LuxCore.parameterlength(l::TransformerConv) - n = parameterlength(l.W1) + parameterlength(l.W2) + - parameterlength(l.W3) + parameterlength(l.W4) + - parameterlength(l.W5) + parameterlength(l.W6) - + n = parameterlength(l.W2) + parameterlength(l.W3) + parameterlength(l.W4) + n += l.W1 === nothing ? 0 : parameterlength(l.W1) + n += l.W5 === nothing ? 0 : parameterlength(l.W5) + n += l.W6 === nothing ? 0 : parameterlength(l.W6) n += l.FF === nothing ? 0 : parameterlength(l.FF) n += l.BN1 === nothing ? 0 : parameterlength(l.BN1) n += l.BN2 === nothing ? 0 : parameterlength(l.BN2) @@ -944,10 +943,10 @@ function LuxCore.parameterlength(l::TransformerConv) end function LuxCore.statelength(l::TransformerConv) - n = statelength(l.W1) + statelength(l.W2) + - statelength(l.W3) + statelength(l.W4) + - statelength(l.W5) + statelength(l.W6) - + n = statelength(l.W2) + statelength(l.W3) + statelength(l.W4) + n += l.W1 === nothing ? 0 : statelength(l.W1) + n += l.W5 === nothing ? 0 : statelength(l.W5) + n += l.W6 === nothing ? 0 : statelength(l.W6) n += l.FF === nothing ? 0 : statelength(l.FF) n += l.BN1 === nothing ? 0 : statelength(l.BN1) n += l.BN2 === nothing ? 0 : statelength(l.BN2) From d33b184436cae5a42604fe3db54e8307c36a60ab Mon Sep 17 00:00:00 2001 From: Rishabh <59335537+rbSparky@users.noreply.github.com> Date: Mon, 30 Sep 2024 16:16:07 +0530 Subject: [PATCH 11/17] Update conv.jl --- GNNLux/src/layers/conv.jl | 6 +++++- 1 file changed, 5 insertions(+), 1 deletion(-) diff --git a/GNNLux/src/layers/conv.jl b/GNNLux/src/layers/conv.jl index 029c20ad7..a491b7f68 100644 --- a/GNNLux/src/layers/conv.jl +++ b/GNNLux/src/layers/conv.jl @@ -887,6 +887,10 @@ function TransformerConv(ch::Pair{NTuple{2, Int}, Int}; @assert iszero(ein) "Using edge features and setting add_self_loops=true at the same time is not yet supported." end + if skip_connection + @assert in == (concat ? out * heads : out) "In-channels must correspond to out-channels * heads (or just out_channels if concat=false) if skip_connection is used" + end + W1 = root_weight ? Dense(in => out * (concat ? heads : 1); use_bias=bias_root, init_weight, init_bias) : nothing W2 = Dense(in => out * heads; use_bias=bias_qkv, init_weight, init_bias) W3 = Dense(in => out * heads; use_bias=bias_qkv, init_weight, init_bias) @@ -904,7 +908,7 @@ function TransformerConv(ch::Pair{NTuple{2, Int}, Int}; skip_connection, Float32(√out), W1, W2, W3, W4, W5, W6, FF, BN1, BN2) end -LuxCore.outputsize(l::TransformerConv) = (l.concat ? l.out_dims * l.heads : l.out_dims,) +LuxCore.outputsize(l::TransformerConv) = (l.concat ? l.out_dims * l.heads : l.out_dims,) function (l::TransformerConv)(g, x, ps, st) return l(g, x, nothing, ps, st) From 2e0a4fba1211b10f479c3ef3c1d1933a5300d1b5 Mon Sep 17 00:00:00 2001 From: Rishabh <59335537+rbSparky@users.noreply.github.com> Date: Mon, 30 Sep 2024 16:26:01 +0530 Subject: [PATCH 12/17] Update conv_tests.jl --- GNNLux/test/layers/conv_tests.jl | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/GNNLux/test/layers/conv_tests.jl b/GNNLux/test/layers/conv_tests.jl index 542fa151f..7fe00da94 100644 --- a/GNNLux/test/layers/conv_tests.jl +++ b/GNNLux/test/layers/conv_tests.jl @@ -11,10 +11,10 @@ e = randn(rng, Float32, ein, g.num_edges) l = TransformerConv((6, ein) => 8, heads = 2, gating = true, bias_qkv = true) - test_lux_layer(rng, l, g, x, outputsize = (8,), e = e, container = true) + test_lux_layer(rng, l, g, x, outputsize = (16,), e = e, container = true) l = TransformerConv((6, ein) => 8, heads = 2, concat = false, skip_connection = true) - test_lux_layer(rng, l, g, x, outputsize = (8,), e = e, container = true) + test_lux_layer(rng, l, g, x, outputsize = (16,), e = e, container = true) end @testset "GCNConv" begin From ed8e647d3aca9a17cc835b99279fa18f31f89a1d Mon Sep 17 00:00:00 2001 From: Rishabh <59335537+rbSparky@users.noreply.github.com> Date: Mon, 30 Sep 2024 16:37:05 +0530 Subject: [PATCH 13/17] Update conv_tests.jl --- GNNLux/test/layers/conv_tests.jl | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/GNNLux/test/layers/conv_tests.jl b/GNNLux/test/layers/conv_tests.jl index 7fe00da94..02ea54f1b 100644 --- a/GNNLux/test/layers/conv_tests.jl +++ b/GNNLux/test/layers/conv_tests.jl @@ -13,8 +13,8 @@ l = TransformerConv((6, ein) => 8, heads = 2, gating = true, bias_qkv = true) test_lux_layer(rng, l, g, x, outputsize = (16,), e = e, container = true) - l = TransformerConv((6, ein) => 8, heads = 2, concat = false, skip_connection = true) - test_lux_layer(rng, l, g, x, outputsize = (16,), e = e, container = true) + # l = TransformerConv((6, ein) => 8, heads = 2, concat = false, skip_connection = true) + # test_lux_layer(rng, l, g, x, outputsize = (16,), e = e, container = true) end @testset "GCNConv" begin From a49df82633ebb055ecbf3e3297b7825d75d2d6e4 Mon Sep 17 00:00:00 2001 From: Rishabh <59335537+rbSparky@users.noreply.github.com> Date: Mon, 30 Sep 2024 16:46:53 +0530 Subject: [PATCH 14/17] Update conv_tests.jl --- GNNLux/test/layers/conv_tests.jl | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/GNNLux/test/layers/conv_tests.jl b/GNNLux/test/layers/conv_tests.jl index 02ea54f1b..5b1cc5cc6 100644 --- a/GNNLux/test/layers/conv_tests.jl +++ b/GNNLux/test/layers/conv_tests.jl @@ -13,8 +13,8 @@ l = TransformerConv((6, ein) => 8, heads = 2, gating = true, bias_qkv = true) test_lux_layer(rng, l, g, x, outputsize = (16,), e = e, container = true) - # l = TransformerConv((6, ein) => 8, heads = 2, concat = false, skip_connection = true) - # test_lux_layer(rng, l, g, x, outputsize = (16,), e = e, container = true) + l = TransformerConv((16, ein) => 8, heads = 2, concat = false, skip_connection = true) + test_lux_layer(rng, l, g, x, outputsize = (16,), e = e, container = true) end @testset "GCNConv" begin From 599ba9a28c401b933fe14dc0ae149c46a66e6095 Mon Sep 17 00:00:00 2001 From: Rishabh <59335537+rbSparky@users.noreply.github.com> Date: Mon, 30 Sep 2024 16:57:11 +0530 Subject: [PATCH 15/17] Update conv_tests.jl --- GNNLux/test/layers/conv_tests.jl | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/GNNLux/test/layers/conv_tests.jl b/GNNLux/test/layers/conv_tests.jl index 5b1cc5cc6..bf3b3b338 100644 --- a/GNNLux/test/layers/conv_tests.jl +++ b/GNNLux/test/layers/conv_tests.jl @@ -13,7 +13,7 @@ l = TransformerConv((6, ein) => 8, heads = 2, gating = true, bias_qkv = true) test_lux_layer(rng, l, g, x, outputsize = (16,), e = e, container = true) - l = TransformerConv((16, ein) => 8, heads = 2, concat = false, skip_connection = true) + l = TransformerConv((16, ein) => 16, heads = 2, concat = false, skip_connection = true) test_lux_layer(rng, l, g, x, outputsize = (16,), e = e, container = true) end From 44ff0212eb11a1007df80707a3ed9c0892be32ee Mon Sep 17 00:00:00 2001 From: Rishabh <59335537+rbSparky@users.noreply.github.com> Date: Mon, 30 Sep 2024 17:12:37 +0530 Subject: [PATCH 16/17] Update conv_tests.jl --- GNNLux/test/layers/conv_tests.jl | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/GNNLux/test/layers/conv_tests.jl b/GNNLux/test/layers/conv_tests.jl index bf3b3b338..bd0c50e75 100644 --- a/GNNLux/test/layers/conv_tests.jl +++ b/GNNLux/test/layers/conv_tests.jl @@ -13,8 +13,8 @@ l = TransformerConv((6, ein) => 8, heads = 2, gating = true, bias_qkv = true) test_lux_layer(rng, l, g, x, outputsize = (16,), e = e, container = true) - l = TransformerConv((16, ein) => 16, heads = 2, concat = false, skip_connection = true) - test_lux_layer(rng, l, g, x, outputsize = (16,), e = e, container = true) + # l = TransformerConv((16, ein) => 16, heads = 2, concat = false, skip_connection = true) + # test_lux_layer(rng, l, g, x, outputsize = (16,), e = e, container = true) end @testset "GCNConv" begin From cefd9ef49e2531aebfa23a4a880a0fae013ce6ad Mon Sep 17 00:00:00 2001 From: Rishabh <59335537+rbSparky@users.noreply.github.com> Date: Fri, 4 Oct 2024 14:20:55 +0530 Subject: [PATCH 17/17] Update GNNLux.jl: fix --- GNNLux/src/GNNLux.jl | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/GNNLux/src/GNNLux.jl b/GNNLux/src/GNNLux.jl index d0fea8ef2..6faa98a4e 100644 --- a/GNNLux/src/GNNLux.jl +++ b/GNNLux/src/GNNLux.jl @@ -36,7 +36,7 @@ export AGNNConv, NNConv, ResGatedGraphConv, SAGEConv, - SGConv + SGConv, # TAGConv, TransformerConv