| Line | Branch | Exec | Source |
|---|---|---|---|
| 1 | module athena__kipf_msgpass_layer | ||
| 2 | !! Module implementing Kipf & Welling Graph Convolutional Network (GCN) | ||
| 3 | !! | ||
| 4 | !! This module implements the graph convolutional layer from Kipf & Welling | ||
| 5 | !! (2017) with symmetric degree normalisation for semi-supervised learning. | ||
| 6 | !! | ||
| 7 | !! Mathematical operation: | ||
| 8 | !! \[ H^{(l+1)} = \sigma\left( \tilde{D}^{-1/2} \tilde{A} \tilde{D}^{-1/2} H^{(l)} W^{(l)} \right) \] | ||
| 9 | !! | ||
| 10 | !! where: | ||
| 11 | !! * \( \tilde{A} = A + I \) (adjacency matrix with added self-loops) | ||
| 12 | !! * \( \tilde{D} \) is the degree matrix of \( \tilde{A} \) | ||
| 13 | !! * \( H^{(l)} \) is the node feature matrix at layer l | ||
| 14 | !! * \( W^{(l)} \) is a learnable weight matrix | ||
| 15 | !! * \( \sigma \) is the activation function | ||
| 16 | !! | ||
| 17 | !! The normalisation \( \tilde{D}^{-1/2} \tilde{A} \tilde{D}^{-1/2} \) ensures | ||
| 18 | !! proper scaling by degree. | ||
| 19 | !! Preserves graph structure, producing node-level (not graph-level) outputs. | ||
| 20 | !! | ||
| 21 | !! Reference: Kipf & Welling (2017), ICLR | ||
| 22 | use coreutils, only: real32, stop_program | ||
| 23 | use graphstruc, only: graph_type | ||
| 24 | use athena__misc_types, only: base_actv_type, base_init_type, & | ||
| 25 | onnx_attribute_type, onnx_node_type, onnx_initialiser_type, & | ||
| 26 | onnx_tensor_type | ||
| 27 | use diffstruc, only: array_type | ||
| 28 | use athena__base_layer, only: base_layer_type | ||
| 29 | use athena__msgpass_layer, only: msgpass_layer_type | ||
| 30 | use athena__diffstruc_extd, only: kipf_propagate, kipf_update | ||
| 31 | use diffstruc, only: matmul | ||
| 32 | implicit none | ||
| 33 | |||
| 34 | |||
| 35 | private | ||
| 36 | |||
| 37 | public :: kipf_msgpass_layer_type | ||
| 38 | public :: read_kipf_msgpass_layer | ||
| 39 | |||
| 40 | |||
| 41 | !------------------------------------------------------------------------------- | ||
| 42 | ! Message passing layer | ||
| 43 | !------------------------------------------------------------------------------- | ||
| 44 | type, extends(msgpass_layer_type) :: kipf_msgpass_layer_type | ||
| 45 | |||
| 46 | ! this is for chen 2021 et al | ||
| 47 | ! type(array2d_type), dimension(:), allocatable :: edge_weight | ||
| 48 | ! !! Weights for the edges | ||
| 49 | ! type(array2d_type), dimension(:), allocatable :: vertex_weight | ||
| 50 | ! !! Weights for the vertices | ||
| 51 | |||
| 52 | contains | ||
| 53 | procedure, pass(this) :: get_num_params => get_num_params_kipf | ||
| 54 | !! Get the number of parameters for the message passing layer | ||
| 55 | procedure, pass(this) :: set_hyperparams => set_hyperparams_kipf | ||
| 56 | !! Set the hyperparameters for the message passing layer | ||
| 57 | procedure, pass(this) :: init => init_kipf | ||
| 58 | !! Initialise the message passing layer | ||
| 59 | procedure, pass(this) :: print_to_unit => print_to_unit_kipf | ||
| 60 | !! Print the message passing layer | ||
| 61 | procedure, pass(this) :: read => read_kipf | ||
| 62 | !! Read the message passing layer | ||
| 63 | |||
| 64 | procedure, pass(this) :: update_message => update_message_kipf | ||
| 65 | !! Update the message | ||
| 66 | |||
| 67 | procedure, pass(this) :: update_readout => update_readout_kipf | ||
| 68 | !! Update the readout | ||
| 69 | |||
| 70 | procedure, pass(this) :: get_attributes => get_attributes_kipf | ||
| 71 | !! Get the attributes of the layer (for ONNX export) | ||
| 72 | procedure, pass(this) :: emit_onnx_nodes => emit_onnx_nodes_kipf | ||
| 73 | !! Emit ONNX JSON nodes for Kipf GCN layer | ||
| 74 | end type kipf_msgpass_layer_type | ||
| 75 | |||
| 76 | ! Interface for setting up the MPNN layer | ||
| 77 | !----------------------------------------------------------------------------- | ||
| 78 | interface kipf_msgpass_layer_type | ||
| 79 | !! Interface for setting up the MPNN layer | ||
| 80 | module function layer_setup( & | ||
| 81 | num_vertex_features, num_time_steps, & | ||
| 82 | activation, & | ||
| 83 | kernel_initialiser, & | ||
| 84 | verbose & | ||
| 85 | ) result(layer) | ||
| 86 | !! Set up the message passing layer | ||
| 87 | integer, dimension(:), intent(in) :: num_vertex_features | ||
| 88 | !! Number of features | ||
| 89 | integer, intent(in) :: num_time_steps | ||
| 90 | !! Number of time steps | ||
| 91 | class(*), optional, intent(in) :: activation, kernel_initialiser | ||
| 92 | !! Activation function and kernel initialiser | ||
| 93 | integer, optional, intent(in) :: verbose | ||
| 94 | !! Verbosity level | ||
| 95 | type(kipf_msgpass_layer_type) :: layer | ||
| 96 | !! Instance of the message passing layer | ||
| 97 | end function layer_setup | ||
| 98 | end interface kipf_msgpass_layer_type | ||
| 99 | |||
| 100 | contains | ||
| 101 | |||
| 102 | |||
| 103 | !##############################################################################! | ||
| 104 | ! * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * ! | ||
| 105 | !##############################################################################! | ||
| 106 | |||
| 107 | |||
| 108 | !############################################################################### | ||
| 109 | 18 | pure function get_num_params_kipf(this) result(num_params) | |
| 110 | !! Get the number of parameters for the message passing layer | ||
| 111 | !! | ||
| 112 | !! This function calculates the number of parameters for the message passing | ||
| 113 | !! layer. | ||
| 114 | !! This procedure is based on code from the neural-fortran library | ||
| 115 | implicit none | ||
| 116 | |||
| 117 | ! Arguments | ||
| 118 | class(kipf_msgpass_layer_type), intent(in) :: this | ||
| 119 | !! Instance of the message passing layer | ||
| 120 | integer :: num_params | ||
| 121 | !! Number of parameters | ||
| 122 | |||
| 123 | ! Local variables | ||
| 124 | integer :: t | ||
| 125 | !! Loop index | ||
| 126 | |||
| 127 | 18 | num_params = 0 | |
| 128 |
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36 | do t = 1, this%num_time_steps |
| 129 | num_params = num_params + & | ||
| 130 |
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36 | this%num_vertex_features(t-1) * this%num_vertex_features(t) |
| 131 | end do | ||
| 132 | |||
| 133 | 18 | end function get_num_params_kipf | |
| 134 | !############################################################################### | ||
| 135 | |||
| 136 | |||
| 137 | !##############################################################################! | ||
| 138 | ! * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * ! | ||
| 139 | !##############################################################################! | ||
| 140 | |||
| 141 | |||
| 142 | !############################################################################### | ||
| 143 | 17 | module function layer_setup( & | |
| 144 | 17 | num_vertex_features, num_time_steps, & | |
| 145 | activation, & | ||
| 146 | kernel_initialiser, & | ||
| 147 | verbose & | ||
| 148 | 17 | ) result(layer) | |
| 149 | !! Set up the message passing layer | ||
| 150 | use athena__activation, only: activation_setup | ||
| 151 | use athena__initialiser, only: initialiser_setup | ||
| 152 | implicit none | ||
| 153 | |||
| 154 | ! Arguments | ||
| 155 | integer, dimension(:), intent(in) :: num_vertex_features | ||
| 156 | !! Number of features | ||
| 157 | integer, intent(in) :: num_time_steps | ||
| 158 | !! Number of time steps | ||
| 159 | class(*), optional, intent(in) :: activation, kernel_initialiser | ||
| 160 | !! Activation function and kernel initialiser | ||
| 161 | integer, optional, intent(in) :: verbose | ||
| 162 | !! Verbosity level | ||
| 163 | type(kipf_msgpass_layer_type) :: layer | ||
| 164 | !! Instance of the message passing layer | ||
| 165 | |||
| 166 | ! Local variables | ||
| 167 | integer :: verbose_ = 0 | ||
| 168 | !! Verbosity level | ||
| 169 | 51 | class(base_actv_type), allocatable :: activation_ | |
| 170 | !! Activation function object | ||
| 171 | 37 | class(base_init_type), allocatable :: kernel_initialiser_ | |
| 172 | !! Kernel initialisers | ||
| 173 | |||
| 174 |
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17 | if(present(verbose)) verbose_ = verbose |
| 175 | |||
| 176 | |||
| 177 | !--------------------------------------------------------------------------- | ||
| 178 | ! Set activation functions based on input name | ||
| 179 | !--------------------------------------------------------------------------- | ||
| 180 |
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17 | if(present(activation))then |
| 181 |
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9 | activation_ = activation_setup(activation) |
| 182 | else | ||
| 183 |
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8 | activation_ = activation_setup("none") |
| 184 | end if | ||
| 185 | |||
| 186 | |||
| 187 | !--------------------------------------------------------------------------- | ||
| 188 | ! Define weights (kernels) and biases initialisers | ||
| 189 | !--------------------------------------------------------------------------- | ||
| 190 |
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17 | if(present(kernel_initialiser))then |
| 191 |
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3 | kernel_initialiser_ = initialiser_setup(kernel_initialiser) |
| 192 | end if | ||
| 193 | |||
| 194 | |||
| 195 | !--------------------------------------------------------------------------- | ||
| 196 | ! Set hyperparameters | ||
| 197 | !--------------------------------------------------------------------------- | ||
| 198 | call layer%set_hyperparams( & | ||
| 199 | ✗ | num_vertex_features = num_vertex_features, & | |
| 200 | num_time_steps = num_time_steps, & | ||
| 201 | activation = activation_, & | ||
| 202 | kernel_initialiser = kernel_initialiser_, & | ||
| 203 | verbose = verbose_ & | ||
| 204 |
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17 | ) |
| 205 | |||
| 206 | |||
| 207 | !--------------------------------------------------------------------------- | ||
| 208 | ! Initialise layer shape | ||
| 209 | !--------------------------------------------------------------------------- | ||
| 210 |
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51 | call layer%init(input_shape=[layer%num_vertex_features(0), 0]) |
| 211 | |||
| 212 |
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34 | end function layer_setup |
| 213 | !############################################################################### | ||
| 214 | |||
| 215 | |||
| 216 | !############################################################################### | ||
| 217 | 18 | subroutine set_hyperparams_kipf( & | |
| 218 | this, & | ||
| 219 |
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18 | num_vertex_features, & |
| 220 | num_time_steps, & | ||
| 221 | activation, & | ||
| 222 | kernel_initialiser, & | ||
| 223 | verbose & | ||
| 224 | ) | ||
| 225 | !! Set the hyperparameters for the message passing layer | ||
| 226 | use athena__activation, only: activation_setup | ||
| 227 | use athena__initialiser, only: get_default_initialiser, initialiser_setup | ||
| 228 | implicit none | ||
| 229 | |||
| 230 | ! Arguments | ||
| 231 | class(kipf_msgpass_layer_type), intent(inout) :: this | ||
| 232 | !! Instance of the message passing layer | ||
| 233 | integer, dimension(:), intent(in) :: num_vertex_features | ||
| 234 | !! Number of vertex features | ||
| 235 | integer, intent(in) :: num_time_steps | ||
| 236 | !! Number of time steps | ||
| 237 | class(base_actv_type), allocatable, intent(in) :: activation | ||
| 238 | !! Activation function | ||
| 239 | class(base_init_type), allocatable, intent(in) :: kernel_initialiser | ||
| 240 | !! Kernel initialiser | ||
| 241 | integer, optional, intent(in) :: verbose | ||
| 242 | !! Verbosity level | ||
| 243 | |||
| 244 | ! Local variables | ||
| 245 | integer :: t | ||
| 246 | !! Loop index | ||
| 247 | character(len=256) :: buffer | ||
| 248 | |||
| 249 | |||
| 250 |
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18 | this%name = 'kipf' |
| 251 | 18 | this%type = 'msgp' | |
| 252 | 18 | this%input_rank = 2 | |
| 253 | 18 | this%output_rank = 2 | |
| 254 | 18 | this%use_graph_output = .true. | |
| 255 | 18 | this%num_time_steps = num_time_steps | |
| 256 |
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18 | if(allocated(this%num_vertex_features)) & |
| 257 |
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1 | deallocate(this%num_vertex_features) |
| 258 |
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18 | if(allocated(this%num_edge_features)) & |
| 259 |
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1 | deallocate(this%num_edge_features) |
| 260 |
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18 | if(size(num_vertex_features, 1) .eq. 1)then |
| 261 | allocate( & | ||
| 262 | ✗ | this%num_vertex_features(0:num_time_steps), & | |
| 263 | ✗ | source = num_vertex_features(1) & | |
| 264 | ✗ | ) | |
| 265 |
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18 | elseif(size(num_vertex_features, 1) .eq. num_time_steps + 1)then |
| 266 | allocate( & | ||
| 267 | ✗ | this%num_vertex_features(0:this%num_time_steps), & | |
| 268 | ✗ | source = num_vertex_features & | |
| 269 |
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54 | ) |
| 270 | else | ||
| 271 | call stop_program( & | ||
| 272 | "Error: num_vertex_features must be a scalar or a vector of length & | ||
| 273 | &num_time_steps + 1" & | ||
| 274 | ✗ | ) | |
| 275 | end if | ||
| 276 |
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54 | allocate( this%num_edge_features(0:this%num_time_steps), source = 0 ) |
| 277 | 18 | this%use_graph_input = .true. | |
| 278 |
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18 | if(allocated(this%activation)) deallocate(this%activation) |
| 279 |
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18 | if(.not.allocated(activation))then |
| 280 |
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1 | this%activation = activation_setup("none") |
| 281 | else | ||
| 282 |
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17 | allocate(this%activation, source=activation) |
| 283 | end if | ||
| 284 |
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18 | if(allocated(this%kernel_init)) deallocate(this%kernel_init) |
| 285 |
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18 | if(.not.allocated(kernel_initialiser))then |
| 286 |
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14 | buffer = get_default_initialiser(this%activation%name) |
| 287 |
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14 | this%kernel_init = initialiser_setup(buffer) |
| 288 | else | ||
| 289 |
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4 | allocate(this%kernel_init, source=kernel_initialiser) |
| 290 | end if | ||
| 291 |
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18 | if(present(verbose))then |
| 292 |
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18 | if(abs(verbose).gt.0)then |
| 293 | write(*,'("KIPF activation function: ",A)') & | ||
| 294 | ✗ | trim(this%activation%name) | |
| 295 | write(*,'("KIPF kernel initialiser: ",A)') & | ||
| 296 | ✗ | trim(this%kernel_init%name) | |
| 297 | end if | ||
| 298 | end if | ||
| 299 |
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18 | if(allocated(this%num_params_msg)) deallocate(this%num_params_msg) |
| 300 |
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18 | allocate(this%num_params_msg(1:this%num_time_steps)) |
| 301 |
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36 | do t = 1, this%num_time_steps |
| 302 | 36 | this%num_params_msg(t) = & | |
| 303 |
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36 | this%num_vertex_features(t-1) * this%num_vertex_features(t) |
| 304 | end do | ||
| 305 |
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18 | if(allocated(this%input_shape)) deallocate(this%input_shape) |
| 306 |
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18 | if(allocated(this%output_shape)) deallocate(this%output_shape) |
| 307 | |||
| 308 | 18 | end subroutine set_hyperparams_kipf | |
| 309 | !############################################################################### | ||
| 310 | |||
| 311 | |||
| 312 | !############################################################################### | ||
| 313 |
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18 | subroutine init_kipf(this, input_shape, verbose) |
| 314 | !! Initialise the message passing layer | ||
| 315 | use athena__initialiser, only: initialiser_setup | ||
| 316 | implicit none | ||
| 317 | |||
| 318 | ! Arguments | ||
| 319 | class(kipf_msgpass_layer_type), intent(inout) :: this | ||
| 320 | !! Instance of the fully connected layer | ||
| 321 | integer, dimension(:), intent(in) :: input_shape | ||
| 322 | !! Input shape | ||
| 323 | integer, optional, intent(in) :: verbose | ||
| 324 | !! Verbosity level | ||
| 325 | |||
| 326 | ! Local variables | ||
| 327 | integer :: t | ||
| 328 | !! Loop index | ||
| 329 | integer :: verbose_ = 0 | ||
| 330 | !! Verbosity level | ||
| 331 | |||
| 332 | |||
| 333 | !--------------------------------------------------------------------------- | ||
| 334 | ! Initialise optional arguments | ||
| 335 | !--------------------------------------------------------------------------- | ||
| 336 |
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18 | if(present(verbose)) verbose_ = verbose |
| 337 | |||
| 338 | |||
| 339 | !--------------------------------------------------------------------------- | ||
| 340 | ! Initialise number of inputs | ||
| 341 | !--------------------------------------------------------------------------- | ||
| 342 |
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18 | if(.not.allocated(this%input_shape)) call this%set_shape(input_shape) |
| 343 |
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54 | this%output_shape = [this%num_vertex_features(this%num_time_steps), 0] |
| 344 | 18 | this%num_params = this%get_num_params() | |
| 345 |
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18 | if(allocated(this%weight_shape)) deallocate(this%weight_shape) |
| 346 |
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18 | if(allocated(this%bias_shape)) deallocate(this%bias_shape) |
| 347 |
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18 | allocate(this%weight_shape(2,this%num_time_steps)) |
| 348 |
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36 | do t = 1, this%num_time_steps |
| 349 | 126 | this%weight_shape(:,t) = & | |
| 350 |
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72 | [ this%num_vertex_features(t), this%num_vertex_features(t-1) ] |
| 351 | end do | ||
| 352 | |||
| 353 | |||
| 354 | !--------------------------------------------------------------------------- | ||
| 355 | ! Allocate weight, weight steps (velocities), output, and activation | ||
| 356 | !--------------------------------------------------------------------------- | ||
| 357 |
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18 | if(allocated(this%params)) deallocate(this%params) |
| 358 |
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36 | allocate(this%params(this%num_time_steps)) |
| 359 |
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36 | do t = 1, this%num_time_steps |
| 360 | 36 | call this%params(t)%allocate( & | |
| 361 | 108 | array_shape = [ this%weight_shape(:,t), 1 ] & | |
| 362 |
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108 | ) |
| 363 |
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18 | call this%params(t)%set_requires_grad(.true.) |
| 364 |
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18 | this%params(t)%is_sample_dependent = .false. |
| 365 |
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18 | this%params(t)%is_temporary = .false. |
| 366 |
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36 | this%params(t)%fix_pointer = .true. |
| 367 | end do | ||
| 368 | |||
| 369 | |||
| 370 | !--------------------------------------------------------------------------- | ||
| 371 | ! Initialise weights (kernels) | ||
| 372 | !--------------------------------------------------------------------------- | ||
| 373 |
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36 | do t = 1, this%num_time_steps |
| 374 | call this%kernel_init%initialise( & | ||
| 375 | 180 | this%params(t)%val(:,1), & | |
| 376 | 36 | fan_in = this%num_vertex_features(t-1), & | |
| 377 | 36 | fan_out = this%num_vertex_features(t), & | |
| 378 | 36 | spacing = [ this%num_vertex_features(t) ] & | |
| 379 |
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54 | ) |
| 380 | end do | ||
| 381 | |||
| 382 | |||
| 383 | !--------------------------------------------------------------------------- | ||
| 384 | ! Allocate arrays | ||
| 385 | !--------------------------------------------------------------------------- | ||
| 386 |
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18 | if(allocated(this%output)) deallocate(this%output) |
| 387 | |||
| 388 | 18 | end subroutine init_kipf | |
| 389 | !############################################################################### | ||
| 390 | |||
| 391 | |||
| 392 | !##############################################################################! | ||
| 393 | ! * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * ! | ||
| 394 | !##############################################################################! | ||
| 395 | |||
| 396 | |||
| 397 | !############################################################################### | ||
| 398 | 1 | subroutine print_to_unit_kipf(this, unit) | |
| 399 | !! Print kipf message passing layer to unit | ||
| 400 | use coreutils, only: to_upper | ||
| 401 | implicit none | ||
| 402 | |||
| 403 | ! Arguments | ||
| 404 | class(kipf_msgpass_layer_type), intent(in) :: this | ||
| 405 | !! Instance of the message passing layer | ||
| 406 | integer, intent(in) :: unit | ||
| 407 | !! File unit | ||
| 408 | |||
| 409 | ! Local variables | ||
| 410 | integer :: t | ||
| 411 | !! Loop index | ||
| 412 | character(100) :: fmt | ||
| 413 | !! Format string | ||
| 414 | |||
| 415 | |||
| 416 | ! Write initial parameters | ||
| 417 | !--------------------------------------------------------------------------- | ||
| 418 | 1 | write(unit,'(3X,"NUM_TIME_STEPS = ",I0)') this%num_time_steps | |
| 419 | write(fmt,'("(3X,""NUM_VERTEX_FEATURES ="",",I0,"(1X,I0))")') & | ||
| 420 | 1 | this%num_time_steps + 1 | |
| 421 | 1 | write(unit,fmt) this%num_vertex_features | |
| 422 | |||
| 423 |
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1 | if(this%activation%name .ne. 'none')then |
| 424 | ✗ | call this%activation%print_to_unit(unit) | |
| 425 | end if | ||
| 426 | |||
| 427 | |||
| 428 | ! Write learned parameters | ||
| 429 | !--------------------------------------------------------------------------- | ||
| 430 | 1 | write(unit,'("WEIGHTS")') | |
| 431 |
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2 | do t = 1, this%num_time_steps, 1 |
| 432 |
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53 | write(unit,'(5(E16.8E2))') this%params(t)%val |
| 433 | end do | ||
| 434 | 1 | write(unit,'("END WEIGHTS")') | |
| 435 | |||
| 436 | 1 | end subroutine print_to_unit_kipf | |
| 437 | !############################################################################### | ||
| 438 | |||
| 439 | |||
| 440 | !############################################################################### | ||
| 441 | 1 | subroutine read_kipf(this, unit, verbose) | |
| 442 | !! Read the message passing layer | ||
| 443 | use athena__tools_infile, only: assign_val, assign_vec, get_val, move | ||
| 444 | use coreutils, only: to_lower, to_upper, icount | ||
| 445 | use athena__activation, only: read_activation | ||
| 446 | use athena__initialiser, only: initialiser_setup | ||
| 447 | implicit none | ||
| 448 | |||
| 449 | ! Arguments | ||
| 450 | class(kipf_msgpass_layer_type), intent(inout) :: this | ||
| 451 | !! Instance of the message passing layer | ||
| 452 | integer, intent(in) :: unit | ||
| 453 | !! Unit to read from | ||
| 454 | integer, optional, intent(in) :: verbose | ||
| 455 | !! Verbosity level | ||
| 456 | |||
| 457 | ! Local variables | ||
| 458 | integer :: stat | ||
| 459 | !! Status of read | ||
| 460 | integer :: verbose_ = 0 | ||
| 461 | !! Verbosity level | ||
| 462 | integer :: t, j, k, c, itmp1, iline | ||
| 463 | !! Loop variables and temporary integer | ||
| 464 | integer :: num_time_steps = 0 | ||
| 465 | !! Number of time steps | ||
| 466 | character(14) :: kernel_initialiser_name='' | ||
| 467 | !! Initialisers | ||
| 468 | character(20) :: activation_name='' | ||
| 469 | !! Activation function name | ||
| 470 | 2 | class(base_actv_type), allocatable :: activation | |
| 471 | !! Activation function | ||
| 472 | 3 | class(base_init_type), allocatable :: kernel_initialiser | |
| 473 | !! Initialisers | ||
| 474 | 1 | integer, dimension(:), allocatable :: num_vertex_features | |
| 475 | !! Number of vertex and edge features | ||
| 476 | character(256) :: buffer, tag, err_msg | ||
| 477 | !! Buffer, tag, and error message | ||
| 478 | 1 | real(real32), allocatable, dimension(:) :: data_list | |
| 479 | !! Data list | ||
| 480 | integer :: param_line, final_line | ||
| 481 | !! Parameter line number | ||
| 482 | |||
| 483 | |||
| 484 | ! Initialise optional arguments | ||
| 485 | !--------------------------------------------------------------------------- | ||
| 486 |
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1 | if(present(verbose)) verbose_ = verbose |
| 487 | |||
| 488 | |||
| 489 | ! Loop over tags in layer card | ||
| 490 | !--------------------------------------------------------------------------- | ||
| 491 | 1 | iline = 0 | |
| 492 | 1 | param_line = 0 | |
| 493 | 1 | final_line = 0 | |
| 494 | 14 | tag_loop: do | |
| 495 | |||
| 496 | ! Check for end of file | ||
| 497 | !------------------------------------------------------------------------ | ||
| 498 | 15 | read(unit,'(A)',iostat=stat) buffer | |
| 499 |
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15 | if(stat.ne.0)then |
| 500 | write(err_msg,'("file encountered error (EoF?) before END ",A)') & | ||
| 501 | ✗ | to_upper(this%name) | |
| 502 | ✗ | call stop_program(err_msg) | |
| 503 | ✗ | return | |
| 504 | end if | ||
| 505 |
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15 | if(trim(adjustl(buffer)).eq."") cycle tag_loop |
| 506 | |||
| 507 | ! Check for end of layer card | ||
| 508 | !------------------------------------------------------------------------ | ||
| 509 |
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30 | if(trim(adjustl(buffer)).eq."END "//to_upper(trim(this%name)))then |
| 510 | 1 | final_line = iline | |
| 511 | 1 | backspace(unit) | |
| 512 | 15 | exit tag_loop | |
| 513 | end if | ||
| 514 | 14 | iline = iline + 1 | |
| 515 | |||
| 516 |
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14 | tag=trim(adjustl(buffer)) |
| 517 |
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14 | if(scan(buffer,"=").ne.0) tag=trim(tag(:scan(tag,"=")-1)) |
| 518 | |||
| 519 | ! Read parameters from file | ||
| 520 | !------------------------------------------------------------------------ | ||
| 521 | 28 | select case(trim(tag)) | |
| 522 | case("NUM_TIME_STEPS") | ||
| 523 | 2 | call assign_val(buffer, num_time_steps, itmp1) | |
| 524 | case("NUM_VERTEX_FEATURES") | ||
| 525 | 1 | itmp1 = icount(get_val(buffer)) | |
| 526 |
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1 | allocate(num_vertex_features(itmp1), source=0) |
| 527 | 1 | call assign_vec(buffer, num_vertex_features, itmp1) | |
| 528 | case("ACTIVATION") | ||
| 529 | ✗ | iline = iline - 1 | |
| 530 | ✗ | backspace(unit) | |
| 531 | ✗ | activation = read_activation(unit, iline) | |
| 532 | case("KERNEL_INITIALISER", "KERNEL_INIT", "KERNEL_INITIALisER") | ||
| 533 | ✗ | call assign_val(buffer, kernel_initialiser_name, itmp1) | |
| 534 | case("WEIGHTS") | ||
| 535 | 1 | kernel_initialiser_name = 'zeros' | |
| 536 | 1 | param_line = iline | |
| 537 | case default | ||
| 538 | ! Don't look for "e" due to scientific notation of numbers | ||
| 539 | ! ... i.e. exponent (E+00) | ||
| 540 |
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22 | if(scan(to_lower(trim(adjustl(buffer))),& |
| 541 | 'abcdfghijklmnopqrstuvwxyz').eq.0)then | ||
| 542 | 11 | cycle tag_loop | |
| 543 |
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1 | elseif(tag(:3).eq.'END')then |
| 544 | 11 | cycle tag_loop | |
| 545 | end if | ||
| 546 | write(err_msg,'("Unrecognised line in input file: ",A)') & | ||
| 547 | ✗ | trim(adjustl(buffer)) | |
| 548 | ✗ | call stop_program(err_msg) | |
| 549 |
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28 | return |
| 550 | end select | ||
| 551 | end do tag_loop | ||
| 552 |
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1 | kernel_initialiser = initialiser_setup(kernel_initialiser_name) |
| 553 | |||
| 554 | |||
| 555 | ! Set hyperparameters and initialise layer | ||
| 556 | !--------------------------------------------------------------------------- | ||
| 557 |
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1 | if(num_time_steps.gt.0 .and. num_time_steps.ne.size(num_vertex_features,1)-1)then |
| 558 | write(err_msg,'("NUM_TIME_STEPS = ",I0," does not match length of "// & | ||
| 559 | ✗ | &"NUM_VERTEX_FEATURES = ",I0)') num_time_steps, & | |
| 560 | ✗ | size(num_vertex_features,1)-1 | |
| 561 | ✗ | call stop_program(err_msg) | |
| 562 | ✗ | return | |
| 563 | end if | ||
| 564 | call this%set_hyperparams( & | ||
| 565 | num_time_steps = num_time_steps, & | ||
| 566 | num_vertex_features = num_vertex_features, & | ||
| 567 | activation = activation, & | ||
| 568 | kernel_initialiser = kernel_initialiser, & | ||
| 569 | verbose = verbose_ & | ||
| 570 | 1 | ) | |
| 571 |
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3 | call this%init(input_shape=[this%num_vertex_features(0), 0]) |
| 572 | |||
| 573 | |||
| 574 | ! Check if WEIGHTS card was found | ||
| 575 | !--------------------------------------------------------------------------- | ||
| 576 |
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1 | if(param_line.eq.0)then |
| 577 | ✗ | write(0,*) "WARNING: WEIGHTS card in "//to_upper(trim(this%name))//" not found" | |
| 578 | else | ||
| 579 | 1 | call move(unit, param_line - iline, iostat=stat) | |
| 580 |
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2 | do t = 1, this%num_time_steps |
| 581 |
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1 | allocate(data_list(this%num_params_msg(t)), source=0._real32) |
| 582 | 1 | c = 1 | |
| 583 | 1 | k = 1 | |
| 584 |
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11 | data_concat_loop: do while(c.le.this%num_params_msg(t)) |
| 585 | 10 | read(unit,'(A)',iostat=stat) buffer | |
| 586 |
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10 | if(stat.ne.0) exit data_concat_loop |
| 587 | 10 | k = icount(buffer) | |
| 588 |
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60 | read(buffer,*,iostat=stat) (data_list(j),j=c,c+k-1) |
| 589 | 10 | c = c + k | |
| 590 | end do data_concat_loop | ||
| 591 |
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51 | this%params(t)%val(:,1) = data_list(1:this%num_params_msg(t)) |
| 592 |
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2 | deallocate(data_list) |
| 593 | end do | ||
| 594 | |||
| 595 | ! Check for end of weights card | ||
| 596 | !------------------------------------------------------------------------ | ||
| 597 | 1 | read(unit,'(A)') buffer | |
| 598 |
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1 | if(trim(adjustl(buffer)).ne."END WEIGHTS")then |
| 599 | ✗ | write(0,*) trim(adjustl(buffer)) | |
| 600 | ✗ | call stop_program("END WEIGHTS not where expected") | |
| 601 | ✗ | return | |
| 602 | end if | ||
| 603 | end if | ||
| 604 | |||
| 605 | |||
| 606 | !--------------------------------------------------------------------------- | ||
| 607 | ! Check for end of layer card | ||
| 608 | !--------------------------------------------------------------------------- | ||
| 609 | 1 | read(unit,'(A)') buffer | |
| 610 |
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2 | if(trim(adjustl(buffer)).ne."END "//to_upper(trim(this%name)))then |
| 611 | ✗ | write(0,*) trim(adjustl(buffer)) | |
| 612 | ✗ | write(err_msg,'("END ",A," not where expected")') to_upper(this%name) | |
| 613 | ✗ | call stop_program(err_msg) | |
| 614 | 1 | return | |
| 615 | end if | ||
| 616 | |||
| 617 |
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1 | end subroutine read_kipf |
| 618 | !############################################################################### | ||
| 619 | |||
| 620 | |||
| 621 | !############################################################################### | ||
| 622 | 1 | function read_kipf_msgpass_layer(unit, verbose) result(layer) | |
| 623 | !! Read kipf message passing layer from file and return layer | ||
| 624 | implicit none | ||
| 625 | |||
| 626 | ! Arguments | ||
| 627 | integer, intent(in) :: unit | ||
| 628 | !! Unit number | ||
| 629 | integer, optional, intent(in) :: verbose | ||
| 630 | !! Verbosity level | ||
| 631 | class(base_layer_type), allocatable :: layer | ||
| 632 | !! Instance of the message passing layer | ||
| 633 | |||
| 634 | ! Local variables | ||
| 635 | integer :: verbose_ = 0 | ||
| 636 | !! Verbosity level | ||
| 637 | |||
| 638 |
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1 | if(present(verbose)) verbose_ = verbose |
| 639 | ✗ | allocate(layer, source = kipf_msgpass_layer_type( & | |
| 640 | num_time_steps = 1, & | ||
| 641 | num_vertex_features = [ 0, 0 ] & | ||
| 642 |
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|
2 | )) |
| 643 | 1 | call layer%read(unit, verbose=verbose_) | |
| 644 | |||
| 645 | 2 | end function read_kipf_msgpass_layer | |
| 646 | !############################################################################### | ||
| 647 | |||
| 648 | |||
| 649 | !############################################################################### | ||
| 650 | 3 | function get_attributes_kipf(this) result(attributes) | |
| 651 | !! Get the attributes of the Kipf GCN layer (for ONNX export) | ||
| 652 | implicit none | ||
| 653 | |||
| 654 | ! Arguments | ||
| 655 | class(kipf_msgpass_layer_type), intent(in) :: this | ||
| 656 | !! Instance of the message passing layer | ||
| 657 | type(onnx_attribute_type), allocatable, dimension(:) :: attributes | ||
| 658 | !! Attributes for ONNX export | ||
| 659 | |||
| 660 | ! Local variables | ||
| 661 | integer :: t | ||
| 662 | !! Loop index | ||
| 663 | character(256) :: buffer | ||
| 664 | !! Buffer for converting attributes to strings | ||
| 665 | |||
| 666 |
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|
12 | allocate(attributes(3)) |
| 667 | |||
| 668 | 3 | write(buffer, '(I0)') this%num_time_steps | |
| 669 | ✗ | attributes(1) = onnx_attribute_type( & | |
| 670 |
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3 | name='num_time_steps', type='int', val=trim(buffer)) |
| 671 | |||
| 672 | 3 | buffer = '' | |
| 673 |
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9 | do t = 0, this%num_time_steps |
| 674 |
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9 | if(t .eq. 0)then |
| 675 |
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3 | write(buffer, '(I0)') this%num_vertex_features(t) |
| 676 | else | ||
| 677 |
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3 | write(buffer, '(A," ",I0)') trim(buffer), this%num_vertex_features(t) |
| 678 | end if | ||
| 679 | end do | ||
| 680 | ✗ | attributes(2) = onnx_attribute_type( & | |
| 681 |
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3 | name='num_vertex_features', type='ints', val=trim(buffer)) |
| 682 | |||
| 683 | ✗ | attributes(3) = onnx_attribute_type( & | |
| 684 | name='message_activation', type='string', & | ||
| 685 |
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3 | val=trim(this%activation%name)) |
| 686 | |||
| 687 | 3 | end function get_attributes_kipf | |
| 688 | !############################################################################### | ||
| 689 | |||
| 690 | |||
| 691 | !############################################################################### | ||
| 692 | 3 | subroutine emit_onnx_nodes_kipf( & | |
| 693 | this, prefix, & | ||
| 694 | 3 | nodes, num_nodes, max_nodes, & | |
| 695 |
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3 | inits, num_inits, max_inits, & |
| 696 | input_name, is_last_layer, format & | ||
| 697 | ) | ||
| 698 | !! Emit ONNX JSON nodes for Kipf GCN layer | ||
| 699 | !! | ||
| 700 | !! Decomposes the Kipf message passing layer into standard ONNX ops: | ||
| 701 | !! Gather, ScatterElements, Mul, Pow, MatMul, activation | ||
| 702 | !! | ||
| 703 | !! Kipf GCN: H^(l+1) = sigma(D~^(-1/2) A~ D~^(-1/2) H^(l) W^(l)) | ||
| 704 | !! Decomposed per timestep: | ||
| 705 | !! 1. Extract source/target indices from edge_index | ||
| 706 | !! 2. Gather source vertex features | ||
| 707 | !! 3. Compute normalisation coeff = (deg_src * deg_tgt)^(-0.5) | ||
| 708 | !! 4. Scale source features by coefficient | ||
| 709 | !! 5. Scatter-add to target vertices | ||
| 710 | !! 6. MatMul with weight W (transposed) | ||
| 711 | !! 7. Apply activation | ||
| 712 | use athena__onnx_msgpass_utils, only: emit_output_identity | ||
| 713 | implicit none | ||
| 714 | |||
| 715 | ! Arguments | ||
| 716 | class(kipf_msgpass_layer_type), intent(in) :: this | ||
| 717 | !! Instance of the layer | ||
| 718 | character(*), intent(in) :: prefix | ||
| 719 | !! Node name prefix (e.g. "node_2") | ||
| 720 | type(onnx_node_type), intent(inout), dimension(:) :: nodes | ||
| 721 | !! Accumulator for ONNX nodes | ||
| 722 | integer, intent(inout) :: num_nodes | ||
| 723 | !! Current number of nodes | ||
| 724 | integer, intent(in) :: max_nodes | ||
| 725 | !! Maximum capacity | ||
| 726 | type(onnx_initialiser_type), intent(inout), dimension(:) :: inits | ||
| 727 | !! Accumulator for ONNX initialisers | ||
| 728 | integer, intent(inout) :: num_inits | ||
| 729 | !! Current number of initialisers | ||
| 730 | integer, intent(in) :: max_inits | ||
| 731 | !! Maximum capacity | ||
| 732 | character(*), optional, intent(in) :: input_name | ||
| 733 | !! Unused sequential input name | ||
| 734 | logical, optional, intent(in) :: is_last_layer | ||
| 735 | !! Unused last-layer flag | ||
| 736 | integer, optional, intent(in) :: format | ||
| 737 | !! Unused export format selector | ||
| 738 | |||
| 739 | ! Local variables | ||
| 740 | integer :: t | ||
| 741 | !! Time-step index | ||
| 742 | character(128) :: cur_vertex_name | ||
| 743 | !! Current timestep output tensor name | ||
| 744 | |||
| 745 |
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6 | do t = 1, this%num_time_steps |
| 746 | call emit_kipf_timestep( & | ||
| 747 | prefix, t, & | ||
| 748 | 6 | this%num_vertex_features(t-1), & | |
| 749 | 6 | this%num_vertex_features(t), & | |
| 750 | 30 | this%params(t)%val(:,1), & | |
| 751 | this%activation%name, & | ||
| 752 | ✗ | nodes, num_nodes, max_nodes, & | |
| 753 | ✗ | inits, num_inits, max_inits, & | |
| 754 | cur_vertex_name & | ||
| 755 |
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6 | ) |
| 756 | end do | ||
| 757 | |||
| 758 | ! Kipf produces node-level output (no readout). | ||
| 759 | call emit_output_identity( & | ||
| 760 | prefix, trim(cur_vertex_name), this%activation%name, & | ||
| 761 |
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3 | nodes, num_nodes) |
| 762 | |||
| 763 |
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3 | end subroutine emit_onnx_nodes_kipf |
| 764 | !############################################################################### | ||
| 765 | |||
| 766 | |||
| 767 | !############################################################################### | ||
| 768 | 3 | subroutine emit_kipf_timestep( & | |
| 769 | 3 | prefix, t, nv_in, nv_out, weight_data, activation_name, & | |
| 770 | 3 | nodes, num_nodes, max_nodes, & | |
| 771 |
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6 | inits, num_inits, max_inits, vertex_out) |
| 772 | !! Emit ONNX nodes for one Kipf GCN time step. | ||
| 773 | use athena__onnx_utils, only: emit_node, emit_constant_int64, & | ||
| 774 | emit_constant_float, emit_activation_node | ||
| 775 | use athena__onnx_msgpass_utils, only: get_timestep_output_name, & | ||
| 776 | emit_edge_index_component, emit_scatter_aggregator, & | ||
| 777 | emit_weight_initialiser_2d | ||
| 778 | implicit none | ||
| 779 | |||
| 780 | ! Arguments | ||
| 781 | character(*), intent(in) :: prefix | ||
| 782 | integer, intent(in) :: t, nv_in, nv_out | ||
| 783 | real(real32), intent(in) :: weight_data(:) | ||
| 784 | character(*), intent(in) :: activation_name | ||
| 785 | type(onnx_node_type), intent(inout), dimension(:) :: nodes | ||
| 786 | integer, intent(inout) :: num_nodes | ||
| 787 | integer, intent(in) :: max_nodes | ||
| 788 | type(onnx_initialiser_type), intent(inout), dimension(:) :: inits | ||
| 789 | integer, intent(inout) :: num_inits | ||
| 790 | integer, intent(in) :: max_inits | ||
| 791 | character(128), intent(out) :: vertex_out | ||
| 792 | |||
| 793 | ! Local variables | ||
| 794 | character(128) :: tp, tmp1, tmp2, tmp3, tmp4, tmp5, tmp6, tmp7 | ||
| 795 | character(128) :: vertex_in, edge_index_in, degree_in | ||
| 796 | character(128) :: src_idx, target_idx, aggr_name | ||
| 797 | character(len=*), parameter :: onnx_axis0_attr = & | ||
| 798 | ' "attribute": [{"name": "axis", "i": "0", "type": "INT"}]' | ||
| 799 | character(len=*), parameter :: onnx_transpose_10_attr = & | ||
| 800 | ' "attribute": [{"name": "perm", "ints": ["1", "0"], ' // & | ||
| 801 | '"type": "INTS"}]' | ||
| 802 | character(len=*), parameter :: onnx_cast_float_attr = & | ||
| 803 | ' "attribute": [{"name": "to", "i": "1", "type": "INT"}]' | ||
| 804 | |||
| 805 |
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3 | write(tp, '(A,"_t",I0)') trim(prefix), t |
| 806 |
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3 | write(vertex_in, '(A,"_vertex_in")') trim(prefix) |
| 807 |
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3 | write(edge_index_in, '(A,"_edge_index_in")') trim(prefix) |
| 808 |
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3 | write(degree_in, '(A,"_degree_in")') trim(prefix) |
| 809 |
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3 | if(t .gt. 1)then |
| 810 | call get_timestep_output_name( & | ||
| 811 | ✗ | prefix, t-1, activation_name, '_mm_out', '', vertex_in) | |
| 812 | end if | ||
| 813 | |||
| 814 | ! --- Step 1: Extract source and target indices from edge_index --- | ||
| 815 |
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3 | write(tmp1, '(A,"_idx0")') trim(tp) |
| 816 | call emit_constant_int64(trim(tmp1), [0], [1], & | ||
| 817 |
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3 | nodes, num_nodes, inits, num_inits) |
| 818 |
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3 | write(tmp2, '(A,"_idx2")') trim(tp) |
| 819 | call emit_constant_int64(trim(tmp2), [2], [1], & | ||
| 820 |
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3 | nodes, num_nodes, inits, num_inits) |
| 821 | |||
| 822 | call emit_edge_index_component( & | ||
| 823 |
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3 | tp, edge_index_in, trim(tmp1), 'src', src_idx, nodes, num_nodes) |
| 824 | call emit_edge_index_component( & | ||
| 825 |
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3 | tp, edge_index_in, trim(tmp2), 'tgt', target_idx, nodes, num_nodes) |
| 826 | |||
| 827 | ! --- Step 2: Gather source features and compute normalisation --- | ||
| 828 |
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3 | write(tmp1, '(A,"_src_feat")') trim(tp) |
| 829 | call emit_node('Gather', trim(tp)//'_gather_vfeat', & | ||
| 830 | ✗ | trim(tmp1), onnx_axis0_attr, nodes, num_nodes, & | |
| 831 |
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3 | in1=trim(vertex_in), in2=trim(src_idx)) |
| 832 | |||
| 833 |
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3 | write(tmp2, '(A,"_deg_f")') trim(tp) |
| 834 | call emit_node('Cast', trim(tp)//'_cast_deg', & | ||
| 835 | ✗ | trim(tmp2), onnx_cast_float_attr, nodes, num_nodes, & | |
| 836 |
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3 | in1=trim(degree_in)) |
| 837 | |||
| 838 |
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3 | write(tmp4, '(A,"_deg_src")') trim(tp) |
| 839 | call emit_node('Gather', trim(tp)//'_gather_deg_src', & | ||
| 840 | ✗ | trim(tmp4), onnx_axis0_attr, nodes, num_nodes, & | |
| 841 |
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3 | in1=trim(tmp2), in2=trim(src_idx)) |
| 842 | |||
| 843 |
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3 | write(tmp6, '(A,"_deg_tgt")') trim(tp) |
| 844 | call emit_node('Gather', trim(tp)//'_gather_deg_tgt', & | ||
| 845 | ✗ | trim(tmp6), onnx_axis0_attr, nodes, num_nodes, & | |
| 846 |
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3 | in1=trim(tmp2), in2=trim(target_idx)) |
| 847 | |||
| 848 |
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3 | write(tmp7, '(A,"_deg_prod")') trim(tp) |
| 849 | call emit_node('Mul', trim(tp)//'_mul_deg', & | ||
| 850 | ✗ | trim(tmp7), '', nodes, num_nodes, & | |
| 851 |
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3 | in1=trim(tmp4), in2=trim(tmp6)) |
| 852 | |||
| 853 |
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3 | write(tmp2, '(A,"_neg_half")') trim(tp) |
| 854 | call emit_constant_float(trim(tmp2), [-0.5_real32], [1], & | ||
| 855 |
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3 | nodes, num_nodes, inits, num_inits) |
| 856 | |||
| 857 |
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3 | write(tmp3, '(A,"_coeff")') trim(tp) |
| 858 | call emit_node('Pow', trim(tp)//'_pow_coeff', & | ||
| 859 | ✗ | trim(tmp3), '', nodes, num_nodes, & | |
| 860 |
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3 | in1=trim(tmp7), in2=trim(tmp2)) |
| 861 | |||
| 862 | ! Unsqueeze coeff for broadcasting and scale the source features. | ||
| 863 |
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3 | write(tmp4, '(A,"_coeff_us")') trim(tp) |
| 864 |
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3 | write(tmp6, '(A,"_us_ax1")') trim(tp) |
| 865 | call emit_constant_int64(trim(tmp6), [1], [1], & | ||
| 866 |
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3 | nodes, num_nodes, inits, num_inits) |
| 867 | call emit_node('Unsqueeze', trim(tp)//'_us_coeff', & | ||
| 868 | ✗ | trim(tmp4), '', nodes, num_nodes, & | |
| 869 |
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3 | in1=trim(tmp3), in2=trim(tmp6)) |
| 870 | |||
| 871 |
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3 | write(tmp2, '(A,"_scaled_feat")') trim(tp) |
| 872 | call emit_node('Mul', trim(tp)//'_mul_coeff', & | ||
| 873 | ✗ | trim(tmp2), '', nodes, num_nodes, & | |
| 874 |
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3 | in1=trim(tmp1), in2=trim(tmp4)) |
| 875 | |||
| 876 | ! --- Step 3: Scatter-add normalised messages to target vertices --- | ||
| 877 | call emit_scatter_aggregator( & | ||
| 878 | tp, vertex_in, target_idx, trim(tmp2), nv_in, & | ||
| 879 |
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3 | nodes, num_nodes, inits, num_inits, aggr_name) |
| 880 | |||
| 881 | ! --- Step 4: MatMul with weight W --- | ||
| 882 |
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3 | write(tmp1, '(A,"_W")') trim(tp) |
| 883 | call emit_weight_initialiser_2d( & | ||
| 884 |
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3 | trim(tmp1), nv_out, nv_in, weight_data, inits, num_inits) |
| 885 | |||
| 886 |
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3 | write(tmp2, '(A,"_Wt")') trim(tp) |
| 887 | call emit_node('Transpose', trim(tp)//'_transpose_W', & | ||
| 888 | ✗ | trim(tmp2), onnx_transpose_10_attr, nodes, num_nodes, & | |
| 889 |
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3 | in1=trim(tmp1)) |
| 890 | |||
| 891 |
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3 | write(tmp3, '(A,"_mm_out")') trim(tp) |
| 892 | call emit_node('MatMul', trim(tp)//'_matmul', & | ||
| 893 | ✗ | trim(tmp3), '', nodes, num_nodes, & | |
| 894 |
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3 | in1=trim(aggr_name), in2=trim(tmp2)) |
| 895 | |||
| 896 | ! --- Step 5: Activation --- | ||
| 897 |
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3 | if(trim(activation_name) .ne. 'none')then |
| 898 | call emit_activation_node(activation_name, trim(tp), trim(tmp3), & | ||
| 899 |
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3 | nodes, num_nodes, max_nodes) |
| 900 |
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3 | vertex_out = trim(nodes(num_nodes)%outputs(1)) |
| 901 | else | ||
| 902 | ✗ | vertex_out = trim(tmp3) | |
| 903 | end if | ||
| 904 | |||
| 905 |
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|
3 | end subroutine emit_kipf_timestep |
| 906 | !############################################################################### | ||
| 907 | |||
| 908 | |||
| 909 | !##############################################################################! | ||
| 910 | ! * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * ! | ||
| 911 | !##############################################################################! | ||
| 912 | |||
| 913 | |||
| 914 | !##############################################################################! | ||
| 915 |
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|
16 | subroutine update_message_kipf(this, input) |
| 916 | !! Update the message | ||
| 917 | implicit none | ||
| 918 | |||
| 919 | ! Arguments | ||
| 920 | class(kipf_msgpass_layer_type), intent(inout), target :: this | ||
| 921 | !! Instance of the message passing layer | ||
| 922 | class(array_type), dimension(:,:), intent(in), target :: input | ||
| 923 | !! Input to the message passing layer | ||
| 924 | |||
| 925 | ! Local variables | ||
| 926 | integer :: s, t | ||
| 927 | !! Batch index, time step | ||
| 928 | type(array_type), pointer :: ptr1, ptr2, ptr3 | ||
| 929 | !! Pointers to arrays | ||
| 930 | |||
| 931 |
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16 | if(allocated(this%output))then |
| 932 |
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|
5 | if(size(this%output,2).ne.size(input,2))then |
| 933 | ✗ | deallocate(this%output) | |
| 934 | ✗ | allocate(this%output(1,size(input,2))) | |
| 935 | end if | ||
| 936 | else | ||
| 937 |
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|
33 | allocate(this%output(1,size(input,2))) |
| 938 | end if | ||
| 939 | |||
| 940 |
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32 | do s = 1, size(input,2) |
| 941 |
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16 | ptr1 => input(1,s) |
| 942 |
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32 | do t = 1, this%num_time_steps |
| 943 | ptr2 => kipf_propagate( & | ||
| 944 | ptr1, & | ||
| 945 | 64 | this%graph(s)%adj_ia, this%graph(s)%adj_ja & | |
| 946 |
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|
16 | ) |
| 947 | |||
| 948 | ! this%z(t,s) = kipf_update( & | ||
| 949 | ! this%message(t,s), this%params(t), this%graph(s)%adj_ia & | ||
| 950 | ! ) | ||
| 951 |
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16 | ptr3 => matmul( this%params(t), ptr2 ) |
| 952 | 32 | ptr1 => this%activation%apply( ptr3 ) | |
| 953 | end do | ||
| 954 |
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16 | call this%output(1,s)%zero_grad() |
| 955 |
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16 | call this%output(1,s)%assign_and_deallocate_source(ptr1) |
| 956 |
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|
32 | this%output(1,s)%is_temporary = .false. |
| 957 | end do | ||
| 958 | |||
| 959 | 16 | end subroutine update_message_kipf | |
| 960 | !############################################################################### | ||
| 961 | |||
| 962 | |||
| 963 | !############################################################################### | ||
| 964 | 16 | subroutine update_readout_kipf(this) | |
| 965 | !! Update the readout (empty for node-level output) | ||
| 966 | implicit none | ||
| 967 | ! Arguments | ||
| 968 | class(kipf_msgpass_layer_type), intent(inout), target :: this | ||
| 969 | !! Instance of the message passing layer | ||
| 970 | 16 | end subroutine update_readout_kipf | |
| 971 | !############################################################################### | ||
| 972 | |||
| 973 |
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|
570 | end module athena__kipf_msgpass_layer |
| 974 |