| Line | Branch | Exec | Source |
|---|---|---|---|
| 1 | module athena__duvenaud_msgpass_layer | ||
| 2 | !! Module implementing Duvenaud message passing for molecular graphs | ||
| 3 | !! | ||
| 4 | !! This module implements the graph neural network architecture from | ||
| 5 | !! Duvenaud et al. (2015) for learning on molecular graphs with both | ||
| 6 | !! vertex (node) and edge features. | ||
| 7 | !! | ||
| 8 | !! Mathematical operation (per time step t): | ||
| 9 | !! \[ h_v^{(t+1)} = \sigma\left( h_v^{(t)} + \sum_{u \in \mathcal{N}(v)} M(h_v^{(t)}, h_u^{(t)}, e_{vu}) \right) \] | ||
| 10 | !! | ||
| 11 | !! Graph readout (aggregation to fixed-size vector): | ||
| 12 | !! \[ h_{\text{graph}} = \sigma_{\text{readout}}\left( \sum_{d=1}^D \sum_{v:\deg(v)=d} W_d h_v^{(T)} \right) \] | ||
| 13 | !! | ||
| 14 | !! where \( M \) is a learned message function, \( \sigma \) is activation function, | ||
| 15 | !! \( \mathcal{N}(v) \) are neighbors of \( v \), \( e_{vu} \) are edge features, \( W_d \) are | ||
| 16 | !! degree-specific weight matrices, and \( D \) is max vertex degree. | ||
| 17 | !! | ||
| 18 | !! Reference: Duvenaud et al. (2015), NeurIPS | ||
| 19 | use coreutils, only: real32 | ||
| 20 | use graphstruc, only: graph_type | ||
| 21 | use athena__misc_types, only: base_actv_type, base_init_type, onnx_attribute_type, & | ||
| 22 | onnx_node_type, onnx_initialiser_type, onnx_tensor_type | ||
| 23 | use diffstruc, only: array_type, sum, matmul, operator(+) | ||
| 24 | use athena__base_layer, only: base_layer_type | ||
| 25 | use athena__msgpass_layer, only: msgpass_layer_type | ||
| 26 | use athena__diffstruc_extd, only: duvenaud_propagate, duvenaud_update | ||
| 27 | implicit none | ||
| 28 | |||
| 29 | |||
| 30 | private | ||
| 31 | |||
| 32 | public :: duvenaud_msgpass_layer_type | ||
| 33 | public :: read_duvenaud_msgpass_layer | ||
| 34 | |||
| 35 | |||
| 36 | !------------------------------------------------------------------------------- | ||
| 37 | ! Message passing layer | ||
| 38 | !------------------------------------------------------------------------------- | ||
| 39 | type, extends(msgpass_layer_type) :: duvenaud_msgpass_layer_type | ||
| 40 | |||
| 41 | integer :: min_vertex_degree = 1 | ||
| 42 | integer :: max_vertex_degree = 0 | ||
| 43 | !! Maximum vertex degree | ||
| 44 | |||
| 45 | class(base_actv_type), allocatable :: activation_readout | ||
| 46 | !! Activation function | ||
| 47 | type(array_type), allocatable, dimension(:,:) :: z | ||
| 48 | type(array_type), allocatable, dimension(:,:) :: z_readout | ||
| 49 | !! Input gradients | ||
| 50 | |||
| 51 | contains | ||
| 52 | procedure, pass(this) :: get_num_params => get_num_params_duvenaud | ||
| 53 | !! Get the number of parameters for the message passing layer | ||
| 54 | procedure, pass(this) :: get_attributes => get_attributes_duvenaud | ||
| 55 | !! Get the attributes of the layer (for ONNX export) | ||
| 56 | procedure, pass(this) :: set_hyperparams => set_hyperparams_duvenaud | ||
| 57 | !! Set the hyperparameters for the message passing layer | ||
| 58 | procedure, pass(this) :: init => init_duvenaud | ||
| 59 | !! Initialise the message passing layer | ||
| 60 | procedure, pass(this) :: print_to_unit => print_to_unit_duvenaud | ||
| 61 | ! !! Print the message passing layer | ||
| 62 | procedure, pass(this) :: read => read_duvenaud | ||
| 63 | !! Read the message passing layer | ||
| 64 | |||
| 65 | procedure, pass(this) :: set_graph => set_graph_duvenaud | ||
| 66 | !! Set the graph for the message passing layer | ||
| 67 | |||
| 68 | procedure, pass(this) :: update_message => update_message_duvenaud | ||
| 69 | !! Update the message | ||
| 70 | |||
| 71 | procedure, pass(this) :: update_readout => update_readout_duvenaud | ||
| 72 | !! Update the readout | ||
| 73 | |||
| 74 | procedure, pass(this) :: emit_onnx_nodes => emit_onnx_nodes_duvenaud | ||
| 75 | !! Emit ONNX JSON nodes for Duvenaud GNN layer | ||
| 76 | procedure, pass(this) :: emit_onnx_graph_inputs => & | ||
| 77 | emit_onnx_graph_inputs_duvenaud | ||
| 78 | !! Emit graph input tensor declarations for Duvenaud GNN layer | ||
| 79 | |||
| 80 | final :: finalise_duvenaud | ||
| 81 | !! Finalise the message passing layer | ||
| 82 | end type duvenaud_msgpass_layer_type | ||
| 83 | |||
| 84 | ! Interface for setting up the MPNN layer | ||
| 85 | !----------------------------------------------------------------------------- | ||
| 86 | interface duvenaud_msgpass_layer_type | ||
| 87 | !! Interface for setting up the MPNN layer | ||
| 88 | module function layer_setup( & | ||
| 89 | num_vertex_features, num_edge_features, num_time_steps, & | ||
| 90 | max_vertex_degree, & | ||
| 91 | num_outputs, & | ||
| 92 | min_vertex_degree, & | ||
| 93 | message_activation, & | ||
| 94 | readout_activation, & | ||
| 95 | kernel_initialiser, & | ||
| 96 | verbose & | ||
| 97 | ) result(layer) | ||
| 98 | !! Set up the message passing layer | ||
| 99 | integer, dimension(:), intent(in) :: num_vertex_features | ||
| 100 | !! Number of vertex features | ||
| 101 | integer, dimension(:), intent(in) :: num_edge_features | ||
| 102 | !! Number of edge features | ||
| 103 | integer, intent(in) :: num_time_steps | ||
| 104 | !! Number of time steps | ||
| 105 | integer, intent(in) :: max_vertex_degree | ||
| 106 | !! Maximum vertex degree | ||
| 107 | integer, intent(in) :: num_outputs | ||
| 108 | !! Number of outputs | ||
| 109 | integer, optional, intent(in) :: min_vertex_degree | ||
| 110 | !! Minimum vertex degree | ||
| 111 | class(*), optional, intent(in) :: message_activation, & | ||
| 112 | readout_activation | ||
| 113 | !! Message and readout activation functions | ||
| 114 | character(*), optional, intent(in) :: kernel_initialiser | ||
| 115 | !!! Kernel initialiser | ||
| 116 | integer, optional, intent(in) :: verbose | ||
| 117 | !! Verbosity level | ||
| 118 | type(duvenaud_msgpass_layer_type) :: layer | ||
| 119 | !! Instance of the message passing layer | ||
| 120 | end function layer_setup | ||
| 121 | end interface duvenaud_msgpass_layer_type | ||
| 122 | |||
| 123 | character(len=*), parameter :: default_message_actv_name = "sigmoid" | ||
| 124 | character(len=*), parameter :: default_readout_actv_name = "softmax" | ||
| 125 | |||
| 126 | |||
| 127 | |||
| 128 | contains | ||
| 129 | |||
| 130 | !############################################################################### | ||
| 131 | 1 | function get_attributes_duvenaud(this) result(attributes) | |
| 132 | !! Get the attributes of the Duvenaud message passing layer (for ONNX export) | ||
| 133 | !! | ||
| 134 | !! Exports hyperparameters needed to reconstruct the layer architecture: | ||
| 135 | !! - num_time_steps: number of message passing iterations | ||
| 136 | !! - min_vertex_degree, max_vertex_degree: degree bucket range | ||
| 137 | !! - num_vertex_features: vertex feature dimensions per time step | ||
| 138 | !! - num_edge_features: edge feature dimensions per time step | ||
| 139 | !! - num_outputs: readout output dimension | ||
| 140 | !! - message_activation, readout_activation: activation function names | ||
| 141 | implicit none | ||
| 142 | |||
| 143 | ! Arguments | ||
| 144 | class(duvenaud_msgpass_layer_type), intent(in) :: this | ||
| 145 | !! Instance of the layer | ||
| 146 | type(onnx_attribute_type), allocatable, dimension(:) :: attributes | ||
| 147 | !! Attributes of the layer | ||
| 148 | |||
| 149 | ! Local variables | ||
| 150 | integer :: t | ||
| 151 | !! Time-step index | ||
| 152 | character(256) :: buffer | ||
| 153 | !! Buffer for integer-to-string conversion | ||
| 154 | |||
| 155 |
13/24✗ Branch 0 not taken.
✓ Branch 1 taken 1 times.
✗ Branch 3 not taken.
✓ Branch 4 taken 1 times.
✗ Branch 6 not taken.
✓ Branch 7 taken 1 times.
✗ Branch 9 not taken.
✓ Branch 10 taken 1 times.
✗ Branch 12 not taken.
✓ Branch 13 taken 1 times.
✗ Branch 15 not taken.
✓ Branch 16 taken 1 times.
✗ Branch 18 not taken.
✓ Branch 19 taken 1 times.
✓ Branch 21 taken 7 times.
✓ Branch 22 taken 1 times.
✓ Branch 23 taken 7 times.
✗ Branch 24 not taken.
✗ Branch 25 not taken.
✓ Branch 26 taken 7 times.
✗ Branch 27 not taken.
✓ Branch 28 taken 7 times.
✗ Branch 29 not taken.
✓ Branch 30 taken 7 times.
|
8 | allocate(attributes(7)) |
| 156 | |||
| 157 | 1 | write(buffer, '(I0)') this%num_time_steps | |
| 158 | ✗ | attributes(1) = onnx_attribute_type( & | |
| 159 |
6/12✗ Branch 1 not taken.
✓ Branch 2 taken 1 times.
✗ Branch 3 not taken.
✓ Branch 4 taken 1 times.
✗ Branch 5 not taken.
✓ Branch 6 taken 1 times.
✗ Branch 7 not taken.
✓ Branch 8 taken 1 times.
✗ Branch 9 not taken.
✓ Branch 10 taken 1 times.
✓ Branch 11 taken 1 times.
✗ Branch 12 not taken.
|
1 | name='num_time_steps', type='int', val=trim(buffer)) |
| 160 | |||
| 161 | 1 | write(buffer, '(I0)') this%min_vertex_degree | |
| 162 | ✗ | attributes(2) = onnx_attribute_type( & | |
| 163 |
6/12✗ Branch 1 not taken.
✓ Branch 2 taken 1 times.
✗ Branch 3 not taken.
✓ Branch 4 taken 1 times.
✗ Branch 5 not taken.
✓ Branch 6 taken 1 times.
✗ Branch 7 not taken.
✓ Branch 8 taken 1 times.
✗ Branch 9 not taken.
✓ Branch 10 taken 1 times.
✓ Branch 11 taken 1 times.
✗ Branch 12 not taken.
|
1 | name='min_vertex_degree', type='int', val=trim(buffer)) |
| 164 | |||
| 165 | 1 | write(buffer, '(I0)') this%max_vertex_degree | |
| 166 | ✗ | attributes(3) = onnx_attribute_type( & | |
| 167 |
6/12✗ Branch 1 not taken.
✓ Branch 2 taken 1 times.
✗ Branch 3 not taken.
✓ Branch 4 taken 1 times.
✗ Branch 5 not taken.
✓ Branch 6 taken 1 times.
✗ Branch 7 not taken.
✓ Branch 8 taken 1 times.
✗ Branch 9 not taken.
✓ Branch 10 taken 1 times.
✓ Branch 11 taken 1 times.
✗ Branch 12 not taken.
|
1 | name='max_vertex_degree', type='int', val=trim(buffer)) |
| 168 | |||
| 169 | 1 | buffer = '' | |
| 170 |
2/2✓ Branch 0 taken 3 times.
✓ Branch 1 taken 1 times.
|
4 | do t = 0, this%num_time_steps |
| 171 |
2/2✓ Branch 0 taken 1 times.
✓ Branch 1 taken 2 times.
|
4 | if(t .eq. 0)then |
| 172 |
2/4✗ Branch 1 not taken.
✓ Branch 2 taken 1 times.
✗ Branch 4 not taken.
✓ Branch 5 taken 1 times.
|
1 | write(buffer, '(I0)') this%num_vertex_features(t) |
| 173 | else | ||
| 174 |
3/6✓ Branch 3 taken 2 times.
✗ Branch 4 not taken.
✗ Branch 5 not taken.
✓ Branch 6 taken 2 times.
✗ Branch 8 not taken.
✓ Branch 9 taken 2 times.
|
2 | write(buffer, '(A," ",I0)') trim(buffer), this%num_vertex_features(t) |
| 175 | end if | ||
| 176 | end do | ||
| 177 | ✗ | attributes(4) = onnx_attribute_type( & | |
| 178 |
6/12✗ Branch 1 not taken.
✓ Branch 2 taken 1 times.
✗ Branch 3 not taken.
✓ Branch 4 taken 1 times.
✗ Branch 5 not taken.
✓ Branch 6 taken 1 times.
✗ Branch 7 not taken.
✓ Branch 8 taken 1 times.
✗ Branch 9 not taken.
✓ Branch 10 taken 1 times.
✓ Branch 11 taken 1 times.
✗ Branch 12 not taken.
|
1 | name='num_vertex_features', type='ints', val=trim(buffer)) |
| 179 | |||
| 180 | 1 | buffer = '' | |
| 181 |
2/2✓ Branch 0 taken 3 times.
✓ Branch 1 taken 1 times.
|
4 | do t = 0, this%num_time_steps |
| 182 |
2/2✓ Branch 0 taken 1 times.
✓ Branch 1 taken 2 times.
|
4 | if(t .eq. 0)then |
| 183 |
2/4✗ Branch 1 not taken.
✓ Branch 2 taken 1 times.
✗ Branch 4 not taken.
✓ Branch 5 taken 1 times.
|
1 | write(buffer, '(I0)') this%num_edge_features(t) |
| 184 | else | ||
| 185 |
3/6✓ Branch 3 taken 2 times.
✗ Branch 4 not taken.
✗ Branch 5 not taken.
✓ Branch 6 taken 2 times.
✗ Branch 8 not taken.
✓ Branch 9 taken 2 times.
|
2 | write(buffer, '(A," ",I0)') trim(buffer), this%num_edge_features(t) |
| 186 | end if | ||
| 187 | end do | ||
| 188 | ✗ | attributes(5) = onnx_attribute_type( & | |
| 189 |
6/12✗ Branch 1 not taken.
✓ Branch 2 taken 1 times.
✗ Branch 3 not taken.
✓ Branch 4 taken 1 times.
✗ Branch 5 not taken.
✓ Branch 6 taken 1 times.
✗ Branch 7 not taken.
✓ Branch 8 taken 1 times.
✗ Branch 9 not taken.
✓ Branch 10 taken 1 times.
✓ Branch 11 taken 1 times.
✗ Branch 12 not taken.
|
1 | name='num_edge_features', type='ints', val=trim(buffer)) |
| 190 | |||
| 191 | 1 | write(buffer, '(I0)') this%num_outputs | |
| 192 | ✗ | attributes(6) = onnx_attribute_type( & | |
| 193 |
6/12✗ Branch 1 not taken.
✓ Branch 2 taken 1 times.
✗ Branch 3 not taken.
✓ Branch 4 taken 1 times.
✗ Branch 5 not taken.
✓ Branch 6 taken 1 times.
✗ Branch 7 not taken.
✓ Branch 8 taken 1 times.
✗ Branch 9 not taken.
✓ Branch 10 taken 1 times.
✓ Branch 11 taken 1 times.
✗ Branch 12 not taken.
|
1 | name='num_outputs', type='int', val=trim(buffer)) |
| 194 | |||
| 195 | ✗ | attributes(7) = onnx_attribute_type( & | |
| 196 | name='message_activation', type='string', & | ||
| 197 |
6/12✗ Branch 1 not taken.
✓ Branch 2 taken 1 times.
✗ Branch 3 not taken.
✓ Branch 4 taken 1 times.
✗ Branch 5 not taken.
✓ Branch 6 taken 1 times.
✗ Branch 7 not taken.
✓ Branch 8 taken 1 times.
✗ Branch 9 not taken.
✓ Branch 10 taken 1 times.
✓ Branch 11 taken 1 times.
✗ Branch 12 not taken.
|
1 | val=trim(this%activation%name)) |
| 198 | |||
| 199 | 1 | end function get_attributes_duvenaud | |
| 200 | !############################################################################### | ||
| 201 | |||
| 202 | |||
| 203 | !############################################################################### | ||
| 204 | 18 | subroutine finalise_duvenaud(this) | |
| 205 | !! Finalise the message passing layer | ||
| 206 | implicit none | ||
| 207 | |||
| 208 | ! Arguments | ||
| 209 | type(duvenaud_msgpass_layer_type), intent(inout) :: this | ||
| 210 | !! Instance of the fully connected layer | ||
| 211 | |||
| 212 |
3/4✓ Branch 0 taken 16 times.
✓ Branch 1 taken 2 times.
✗ Branch 2 not taken.
✓ Branch 3 taken 16 times.
|
18 | if(allocated(this%input_shape)) deallocate(this%input_shape) |
| 213 |
3/4✓ Branch 0 taken 16 times.
✓ Branch 1 taken 2 times.
✗ Branch 2 not taken.
✓ Branch 3 taken 16 times.
|
18 | if(allocated(this%output_shape)) deallocate(this%output_shape) |
| 214 |
4/6✓ Branch 0 taken 16 times.
✓ Branch 1 taken 2 times.
✗ Branch 2 not taken.
✓ Branch 3 taken 16 times.
✓ Branch 5 taken 16 times.
✗ Branch 6 not taken.
|
18 | if(allocated(this%output)) deallocate(this%output) |
| 215 | |||
| 216 | 18 | end subroutine finalise_duvenaud | |
| 217 | !############################################################################### | ||
| 218 | |||
| 219 | |||
| 220 | !##############################################################################! | ||
| 221 | ! * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * ! | ||
| 222 | !##############################################################################! | ||
| 223 | |||
| 224 | |||
| 225 | !############################################################################### | ||
| 226 | 6 | pure function get_num_params_duvenaud(this) result(num_params) | |
| 227 | !! Get the number of parameters for the message passing layer | ||
| 228 | !! | ||
| 229 | !! This function calculates the number of parameters for the message passing | ||
| 230 | !! layer. | ||
| 231 | !! This procedure is based on code from the neural-fortran library | ||
| 232 | implicit none | ||
| 233 | |||
| 234 | ! Arguments | ||
| 235 | class(duvenaud_msgpass_layer_type), intent(in) :: this | ||
| 236 | !! Instance of the message passing layer | ||
| 237 | integer :: num_params | ||
| 238 | !! Number of parameters | ||
| 239 | |||
| 240 | 24 | num_params = ( this%num_vertex_features(0) + this%num_edge_features(0) ) * & | |
| 241 | 12 | this%num_vertex_features(0) * & | |
| 242 | ( this%max_vertex_degree - this%min_vertex_degree + 1 ) * & | ||
| 243 | this%num_time_steps + & | ||
| 244 |
8/16✗ Branch 0 not taken.
✓ Branch 1 taken 6 times.
✗ Branch 3 not taken.
✓ Branch 4 taken 6 times.
✗ Branch 6 not taken.
✓ Branch 7 taken 6 times.
✗ Branch 9 not taken.
✓ Branch 10 taken 6 times.
✗ Branch 12 not taken.
✓ Branch 13 taken 6 times.
✗ Branch 15 not taken.
✓ Branch 16 taken 6 times.
✗ Branch 18 not taken.
✓ Branch 19 taken 6 times.
✗ Branch 21 not taken.
✓ Branch 22 taken 6 times.
|
6 | this%num_vertex_features(0) * this%num_outputs * this%num_time_steps |
| 245 | |||
| 246 | 6 | end function get_num_params_duvenaud | |
| 247 | !############################################################################### | ||
| 248 | |||
| 249 | |||
| 250 | !##############################################################################! | ||
| 251 | ! * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * ! | ||
| 252 | !##############################################################################! | ||
| 253 | |||
| 254 | |||
| 255 | !############################################################################### | ||
| 256 | 6 | module function layer_setup( & | |
| 257 |
1/2✓ Branch 0 taken 6 times.
✗ Branch 1 not taken.
|
6 | num_vertex_features ,num_edge_features, num_time_steps, & |
| 258 | max_vertex_degree, & | ||
| 259 | num_outputs, & | ||
| 260 | min_vertex_degree, & | ||
| 261 | message_activation, & | ||
| 262 | readout_activation, & | ||
| 263 | kernel_initialiser, & | ||
| 264 | verbose & | ||
| 265 | 6 | ) result(layer) | |
| 266 | !! Set up the message passing layer | ||
| 267 | use athena__initialiser, only: initialiser_setup | ||
| 268 | use athena__activation, only: activation_setup | ||
| 269 | implicit none | ||
| 270 | |||
| 271 | ! Arguments | ||
| 272 | integer, dimension(:), intent(in) :: num_vertex_features | ||
| 273 | !! Number of vertex features | ||
| 274 | integer, dimension(:), intent(in) :: num_edge_features | ||
| 275 | !! Number of edge features | ||
| 276 | integer, intent(in) :: num_time_steps | ||
| 277 | !! Number of time steps | ||
| 278 | integer, intent(in) :: max_vertex_degree | ||
| 279 | !! Maximum vertex degree | ||
| 280 | integer, intent(in) :: num_outputs | ||
| 281 | !! Number of outputs | ||
| 282 | integer, optional, intent(in) :: min_vertex_degree | ||
| 283 | !! Minimum vertex degree | ||
| 284 | class(*), optional, intent(in) :: message_activation, & | ||
| 285 | readout_activation | ||
| 286 | !! Message and readout activation functions | ||
| 287 | character(*), optional, intent(in) :: kernel_initialiser | ||
| 288 | !!! Kernel initialiser | ||
| 289 | integer, optional, intent(in) :: verbose | ||
| 290 | !! Verbosity level | ||
| 291 | type(duvenaud_msgpass_layer_type) :: layer | ||
| 292 | !! Instance of the message passing layer | ||
| 293 | |||
| 294 | ! Local variables | ||
| 295 | integer :: verbose_ = 0 | ||
| 296 | !! Verbosity level | ||
| 297 | 30 | class(base_actv_type), allocatable :: message_activation_ , readout_activation_ | |
| 298 | !! Activation function | ||
| 299 | 13 | class(base_init_type), allocatable :: kernel_initialiser_ | |
| 300 | !! Kernel and bias initialisers | ||
| 301 | integer :: min_vertex_degree_ = 1 | ||
| 302 | !! Minimum vertex degree | ||
| 303 | |||
| 304 |
1/2✗ Branch 0 not taken.
✓ Branch 1 taken 6 times.
|
6 | if(present(verbose)) verbose_ = verbose |
| 305 | |||
| 306 | |||
| 307 | !--------------------------------------------------------------------------- | ||
| 308 | ! Set activation functions | ||
| 309 | !--------------------------------------------------------------------------- | ||
| 310 |
3/4✓ Branch 0 taken 2 times.
✓ Branch 1 taken 4 times.
✓ Branch 2 taken 2 times.
✗ Branch 3 not taken.
|
6 | if(present(message_activation))then |
| 311 |
5/14✗ Branch 0 not taken.
✓ Branch 1 taken 2 times.
✗ Branch 2 not taken.
✗ Branch 3 not taken.
✓ Branch 6 taken 2 times.
✗ Branch 7 not taken.
✗ Branch 8 not taken.
✓ Branch 9 taken 2 times.
✗ Branch 11 not taken.
✗ Branch 12 not taken.
✗ Branch 14 not taken.
✓ Branch 15 taken 2 times.
✓ Branch 17 taken 2 times.
✗ Branch 18 not taken.
|
2 | message_activation_ = activation_setup(message_activation) |
| 312 | else | ||
| 313 |
5/14✗ Branch 0 not taken.
✓ Branch 1 taken 4 times.
✗ Branch 2 not taken.
✗ Branch 3 not taken.
✓ Branch 6 taken 4 times.
✗ Branch 7 not taken.
✗ Branch 8 not taken.
✓ Branch 9 taken 4 times.
✗ Branch 11 not taken.
✗ Branch 12 not taken.
✗ Branch 14 not taken.
✓ Branch 15 taken 4 times.
✓ Branch 17 taken 4 times.
✗ Branch 18 not taken.
|
4 | message_activation_ = activation_setup(default_message_actv_name) |
| 314 | end if | ||
| 315 |
3/4✓ Branch 0 taken 1 times.
✓ Branch 1 taken 5 times.
✓ Branch 2 taken 1 times.
✗ Branch 3 not taken.
|
6 | if(present(readout_activation))then |
| 316 |
5/14✗ Branch 0 not taken.
✓ Branch 1 taken 1 times.
✗ Branch 2 not taken.
✗ Branch 3 not taken.
✓ Branch 6 taken 1 times.
✗ Branch 7 not taken.
✗ Branch 8 not taken.
✓ Branch 9 taken 1 times.
✗ Branch 11 not taken.
✗ Branch 12 not taken.
✗ Branch 14 not taken.
✓ Branch 15 taken 1 times.
✓ Branch 17 taken 1 times.
✗ Branch 18 not taken.
|
1 | readout_activation_ = activation_setup(readout_activation) |
| 317 | else | ||
| 318 |
5/14✗ Branch 0 not taken.
✓ Branch 1 taken 5 times.
✗ Branch 2 not taken.
✗ Branch 3 not taken.
✓ Branch 6 taken 5 times.
✗ Branch 7 not taken.
✗ Branch 8 not taken.
✓ Branch 9 taken 5 times.
✗ Branch 11 not taken.
✗ Branch 12 not taken.
✗ Branch 14 not taken.
✓ Branch 15 taken 5 times.
✓ Branch 17 taken 5 times.
✗ Branch 18 not taken.
|
5 | readout_activation_ = activation_setup(default_readout_actv_name) |
| 319 | end if | ||
| 320 | |||
| 321 | |||
| 322 | !--------------------------------------------------------------------------- | ||
| 323 | ! Set minimum vertex degree | ||
| 324 | !--------------------------------------------------------------------------- | ||
| 325 |
2/2✓ Branch 0 taken 2 times.
✓ Branch 1 taken 4 times.
|
6 | if(present(min_vertex_degree)) min_vertex_degree_ = min_vertex_degree |
| 326 |
1/2✗ Branch 0 not taken.
✓ Branch 1 taken 6 times.
|
6 | if(max_vertex_degree.lt.min_vertex_degree_)then |
| 327 | ✗ | write(0,*) "Error: max_vertex_degree < min_vertex_degree" | |
| 328 | ✗ | return | |
| 329 | end if | ||
| 330 | |||
| 331 | |||
| 332 | !--------------------------------------------------------------------------- | ||
| 333 | ! Define weights (kernels) and biases initialisers | ||
| 334 | !--------------------------------------------------------------------------- | ||
| 335 |
2/2✓ Branch 0 taken 1 times.
✓ Branch 1 taken 5 times.
|
6 | if(present(kernel_initialiser))then |
| 336 |
5/14✗ Branch 0 not taken.
✓ Branch 1 taken 1 times.
✗ Branch 2 not taken.
✗ Branch 3 not taken.
✓ Branch 6 taken 1 times.
✗ Branch 7 not taken.
✗ Branch 8 not taken.
✓ Branch 9 taken 1 times.
✗ Branch 11 not taken.
✗ Branch 12 not taken.
✗ Branch 14 not taken.
✓ Branch 15 taken 1 times.
✓ Branch 17 taken 1 times.
✗ Branch 18 not taken.
|
1 | kernel_initialiser_ = initialiser_setup(kernel_initialiser) |
| 337 | end if | ||
| 338 | |||
| 339 | |||
| 340 | !--------------------------------------------------------------------------- | ||
| 341 | ! Set hyperparameters | ||
| 342 | !--------------------------------------------------------------------------- | ||
| 343 | call layer%set_hyperparams( & | ||
| 344 | ✗ | num_vertex_features = num_vertex_features, & | |
| 345 | ✗ | num_edge_features = num_edge_features, & | |
| 346 | min_vertex_degree = min_vertex_degree_, & | ||
| 347 | max_vertex_degree = max_vertex_degree, & | ||
| 348 | num_time_steps = num_time_steps, & | ||
| 349 | num_outputs = num_outputs, & | ||
| 350 | message_activation = message_activation_, & | ||
| 351 | readout_activation = readout_activation_, & | ||
| 352 | kernel_initialiser = kernel_initialiser_, & | ||
| 353 | verbose = verbose_ & | ||
| 354 |
6/12✗ Branch 0 not taken.
✓ Branch 1 taken 6 times.
✗ Branch 2 not taken.
✓ Branch 3 taken 6 times.
✗ Branch 4 not taken.
✓ Branch 5 taken 6 times.
✗ Branch 6 not taken.
✓ Branch 7 taken 6 times.
✗ Branch 8 not taken.
✓ Branch 9 taken 6 times.
✗ Branch 10 not taken.
✓ Branch 11 taken 6 times.
|
6 | ) |
| 355 | |||
| 356 | |||
| 357 | !--------------------------------------------------------------------------- | ||
| 358 | ! Initialise layer shape | ||
| 359 | !--------------------------------------------------------------------------- | ||
| 360 | ✗ | call layer%init(input_shape=[ & | |
| 361 | ✗ | layer%num_vertex_features(0), & | |
| 362 | layer%num_edge_features(0) & | ||
| 363 |
6/10✗ Branch 0 not taken.
✓ Branch 1 taken 6 times.
✗ Branch 2 not taken.
✓ Branch 3 taken 6 times.
✗ Branch 4 not taken.
✓ Branch 5 taken 6 times.
✗ Branch 6 not taken.
✓ Branch 7 taken 6 times.
✓ Branch 8 taken 12 times.
✓ Branch 9 taken 6 times.
|
18 | ]) |
| 364 | |||
| 365 |
8/14✓ Branch 0 taken 6 times.
✗ Branch 1 not taken.
✓ Branch 2 taken 6 times.
✗ Branch 3 not taken.
✗ Branch 4 not taken.
✓ Branch 5 taken 6 times.
✓ Branch 7 taken 6 times.
✗ Branch 8 not taken.
✗ Branch 9 not taken.
✓ Branch 10 taken 6 times.
✓ Branch 12 taken 1 times.
✓ Branch 13 taken 5 times.
✗ Branch 14 not taken.
✓ Branch 15 taken 1 times.
|
12 | end function layer_setup |
| 366 | !############################################################################### | ||
| 367 | |||
| 368 | |||
| 369 | !############################################################################### | ||
| 370 | 6 | subroutine set_hyperparams_duvenaud( & | |
| 371 | this, & | ||
| 372 |
2/4✓ Branch 0 taken 6 times.
✗ Branch 1 not taken.
✓ Branch 2 taken 6 times.
✗ Branch 3 not taken.
|
6 | num_vertex_features, num_edge_features, & |
| 373 | min_vertex_degree, & | ||
| 374 | max_vertex_degree, & | ||
| 375 | num_time_steps, & | ||
| 376 | num_outputs, & | ||
| 377 | message_activation, & | ||
| 378 | readout_activation, & | ||
| 379 | kernel_initialiser, & | ||
| 380 | verbose & | ||
| 381 | ) | ||
| 382 | !! Set the hyperparameters for the message passing layer | ||
| 383 | use athena__activation, only: activation_setup | ||
| 384 | use athena__initialiser, only: get_default_initialiser, initialiser_setup | ||
| 385 | implicit none | ||
| 386 | |||
| 387 | ! Arguments | ||
| 388 | class(duvenaud_msgpass_layer_type), intent(inout) :: this | ||
| 389 | !! Instance of the message passing layer | ||
| 390 | integer, dimension(:), intent(in) :: num_vertex_features | ||
| 391 | !! Number of vertex features | ||
| 392 | integer, dimension(:), intent(in) :: num_edge_features | ||
| 393 | !! Number of edge features | ||
| 394 | integer, intent(in) :: min_vertex_degree | ||
| 395 | !! Minimum vertex degree | ||
| 396 | integer, intent(in) :: max_vertex_degree | ||
| 397 | !! Maximum vertex degree | ||
| 398 | integer, intent(in) :: num_time_steps | ||
| 399 | !! Number of time steps | ||
| 400 | integer, intent(in) :: num_outputs | ||
| 401 | !! Number of outputs | ||
| 402 | class(base_actv_type), allocatable, intent(in) :: & | ||
| 403 | message_activation, & | ||
| 404 | readout_activation | ||
| 405 | !! Message and readout activation functions | ||
| 406 | class(base_init_type), allocatable, intent(in) :: kernel_initialiser | ||
| 407 | !! Kernel and bias initialisers | ||
| 408 | integer, optional, intent(in) :: verbose | ||
| 409 | !! Verbosity level | ||
| 410 | |||
| 411 | ! Local variables | ||
| 412 | integer :: t | ||
| 413 | !! Loop index | ||
| 414 | character(len=256) :: buffer | ||
| 415 | |||
| 416 | |||
| 417 |
3/8✓ Branch 0 taken 6 times.
✗ Branch 1 not taken.
✗ Branch 2 not taken.
✗ Branch 3 not taken.
✓ Branch 4 taken 6 times.
✗ Branch 5 not taken.
✗ Branch 6 not taken.
✓ Branch 7 taken 6 times.
|
6 | this%name = 'duvenaud' |
| 418 | 6 | this%type = 'msgp' | |
| 419 | 6 | this%input_rank = 2 | |
| 420 | 6 | this%output_rank = 1 | |
| 421 | 6 | this%min_vertex_degree = min_vertex_degree | |
| 422 | 6 | this%max_vertex_degree = max_vertex_degree | |
| 423 | 6 | this%num_time_steps = num_time_steps | |
| 424 | 6 | this%num_outputs = num_outputs | |
| 425 |
1/2✗ Branch 0 not taken.
✓ Branch 1 taken 6 times.
|
6 | if(allocated(this%num_vertex_features)) & |
| 426 | ✗ | deallocate(this%num_vertex_features) | |
| 427 |
1/2✗ Branch 0 not taken.
✓ Branch 1 taken 6 times.
|
6 | if(allocated(this%num_edge_features)) & |
| 428 | ✗ | deallocate(this%num_edge_features) | |
| 429 |
5/8✗ Branch 0 not taken.
✓ Branch 1 taken 6 times.
✗ Branch 3 not taken.
✓ Branch 4 taken 6 times.
✗ Branch 6 not taken.
✓ Branch 7 taken 6 times.
✓ Branch 9 taken 4 times.
✓ Branch 10 taken 2 times.
|
6 | if(size(num_vertex_features, 1) .eq. 1)then |
| 430 | allocate( & | ||
| 431 | ✗ | this%num_vertex_features(0:num_time_steps), & | |
| 432 |
1/2✗ Branch 0 not taken.
✓ Branch 1 taken 4 times.
|
4 | source = num_vertex_features(1) & |
| 433 |
14/26✓ Branch 0 taken 4 times.
✗ Branch 1 not taken.
✗ Branch 2 not taken.
✓ Branch 3 taken 4 times.
✗ Branch 4 not taken.
✓ Branch 5 taken 4 times.
✗ Branch 6 not taken.
✓ Branch 7 taken 4 times.
✗ Branch 8 not taken.
✓ Branch 9 taken 4 times.
✗ Branch 11 not taken.
✓ Branch 12 taken 4 times.
✗ Branch 13 not taken.
✓ Branch 14 taken 4 times.
✗ Branch 16 not taken.
✓ Branch 17 taken 4 times.
✗ Branch 19 not taken.
✓ Branch 20 taken 4 times.
✗ Branch 22 not taken.
✓ Branch 23 taken 4 times.
✗ Branch 25 not taken.
✓ Branch 26 taken 4 times.
✗ Branch 28 not taken.
✓ Branch 29 taken 4 times.
✓ Branch 30 taken 11 times.
✓ Branch 31 taken 4 times.
|
15 | ) |
| 434 |
4/8✗ Branch 0 not taken.
✓ Branch 1 taken 2 times.
✗ Branch 3 not taken.
✓ Branch 4 taken 2 times.
✗ Branch 6 not taken.
✓ Branch 7 taken 2 times.
✓ Branch 9 taken 2 times.
✗ Branch 10 not taken.
|
2 | elseif(size(num_vertex_features, 1) .eq. num_time_steps + 1)then |
| 435 | allocate( & | ||
| 436 | ✗ | this%num_vertex_features(0:this%num_time_steps), & | |
| 437 | ✗ | source = num_vertex_features & | |
| 438 |
20/38✗ Branch 0 not taken.
✓ Branch 1 taken 2 times.
✗ Branch 2 not taken.
✓ Branch 3 taken 2 times.
✗ Branch 4 not taken.
✓ Branch 5 taken 2 times.
✓ Branch 6 taken 2 times.
✗ Branch 7 not taken.
✗ Branch 8 not taken.
✓ Branch 9 taken 2 times.
✗ Branch 10 not taken.
✓ Branch 11 taken 2 times.
✗ Branch 12 not taken.
✓ Branch 13 taken 2 times.
✗ Branch 14 not taken.
✓ Branch 15 taken 2 times.
✗ Branch 17 not taken.
✓ Branch 18 taken 2 times.
✗ Branch 19 not taken.
✓ Branch 20 taken 2 times.
✗ Branch 22 not taken.
✓ Branch 23 taken 2 times.
✗ Branch 24 not taken.
✓ Branch 25 taken 2 times.
✗ Branch 26 not taken.
✓ Branch 27 taken 2 times.
✗ Branch 28 not taken.
✓ Branch 29 taken 2 times.
✗ Branch 31 not taken.
✓ Branch 32 taken 2 times.
✗ Branch 34 not taken.
✓ Branch 35 taken 2 times.
✗ Branch 37 not taken.
✓ Branch 38 taken 2 times.
✗ Branch 40 not taken.
✓ Branch 41 taken 2 times.
✓ Branch 43 taken 6 times.
✓ Branch 44 taken 2 times.
|
8 | ) |
| 439 | else | ||
| 440 | write(*,*) "Error: num_vertex_features must be a scalar or a vector of & | ||
| 441 | ✗ | &length num_time_steps + 1" | |
| 442 | ✗ | stop | |
| 443 | end if | ||
| 444 |
5/8✗ Branch 0 not taken.
✓ Branch 1 taken 6 times.
✗ Branch 3 not taken.
✓ Branch 4 taken 6 times.
✗ Branch 6 not taken.
✓ Branch 7 taken 6 times.
✓ Branch 9 taken 4 times.
✓ Branch 10 taken 2 times.
|
6 | if(size(num_edge_features, 1) .eq. 1)then |
| 445 | allocate( & | ||
| 446 | ✗ | this%num_edge_features(0:num_time_steps), & | |
| 447 |
1/2✗ Branch 0 not taken.
✓ Branch 1 taken 4 times.
|
4 | source = num_edge_features(1) & |
| 448 |
14/26✓ Branch 0 taken 4 times.
✗ Branch 1 not taken.
✗ Branch 2 not taken.
✓ Branch 3 taken 4 times.
✗ Branch 4 not taken.
✓ Branch 5 taken 4 times.
✗ Branch 6 not taken.
✓ Branch 7 taken 4 times.
✗ Branch 8 not taken.
✓ Branch 9 taken 4 times.
✗ Branch 11 not taken.
✓ Branch 12 taken 4 times.
✗ Branch 13 not taken.
✓ Branch 14 taken 4 times.
✗ Branch 16 not taken.
✓ Branch 17 taken 4 times.
✗ Branch 19 not taken.
✓ Branch 20 taken 4 times.
✗ Branch 22 not taken.
✓ Branch 23 taken 4 times.
✗ Branch 25 not taken.
✓ Branch 26 taken 4 times.
✗ Branch 28 not taken.
✓ Branch 29 taken 4 times.
✓ Branch 30 taken 11 times.
✓ Branch 31 taken 4 times.
|
15 | ) |
| 449 |
4/8✗ Branch 0 not taken.
✓ Branch 1 taken 2 times.
✗ Branch 3 not taken.
✓ Branch 4 taken 2 times.
✗ Branch 6 not taken.
✓ Branch 7 taken 2 times.
✓ Branch 9 taken 2 times.
✗ Branch 10 not taken.
|
2 | elseif(size(num_edge_features, 1) .eq. num_time_steps + 1)then |
| 450 | allocate( & | ||
| 451 | ✗ | this%num_edge_features(0:this%num_time_steps), & | |
| 452 | ✗ | source = num_edge_features & | |
| 453 |
20/38✗ Branch 0 not taken.
✓ Branch 1 taken 2 times.
✗ Branch 2 not taken.
✓ Branch 3 taken 2 times.
✗ Branch 4 not taken.
✓ Branch 5 taken 2 times.
✓ Branch 6 taken 2 times.
✗ Branch 7 not taken.
✗ Branch 8 not taken.
✓ Branch 9 taken 2 times.
✗ Branch 10 not taken.
✓ Branch 11 taken 2 times.
✗ Branch 12 not taken.
✓ Branch 13 taken 2 times.
✗ Branch 14 not taken.
✓ Branch 15 taken 2 times.
✗ Branch 17 not taken.
✓ Branch 18 taken 2 times.
✗ Branch 19 not taken.
✓ Branch 20 taken 2 times.
✗ Branch 22 not taken.
✓ Branch 23 taken 2 times.
✗ Branch 24 not taken.
✓ Branch 25 taken 2 times.
✗ Branch 26 not taken.
✓ Branch 27 taken 2 times.
✗ Branch 28 not taken.
✓ Branch 29 taken 2 times.
✗ Branch 31 not taken.
✓ Branch 32 taken 2 times.
✗ Branch 34 not taken.
✓ Branch 35 taken 2 times.
✗ Branch 37 not taken.
✓ Branch 38 taken 2 times.
✗ Branch 40 not taken.
✓ Branch 41 taken 2 times.
✓ Branch 43 taken 6 times.
✓ Branch 44 taken 2 times.
|
8 | ) |
| 454 | else | ||
| 455 | write(*,*) "Error: num_edge_features must be a scalar or a vector of & | ||
| 456 | ✗ | &length num_time_steps + 1" | |
| 457 | ✗ | stop | |
| 458 | end if | ||
| 459 | 6 | this%use_graph_input = .true. | |
| 460 | 6 | this%use_graph_output = .false. | |
| 461 |
1/6✗ Branch 0 not taken.
✓ Branch 1 taken 6 times.
✗ Branch 2 not taken.
✗ Branch 3 not taken.
✗ Branch 5 not taken.
✗ Branch 6 not taken.
|
6 | if(allocated(this%activation)) deallocate(this%activation) |
| 462 |
1/6✗ Branch 0 not taken.
✓ Branch 1 taken 6 times.
✗ Branch 2 not taken.
✗ Branch 3 not taken.
✗ Branch 5 not taken.
✗ Branch 6 not taken.
|
6 | if(allocated(this%activation_readout)) deallocate(this%activation_readout) |
| 463 |
1/2✗ Branch 0 not taken.
✓ Branch 1 taken 6 times.
|
6 | if(.not.allocated(message_activation))then |
| 464 | ✗ | this%activation = activation_setup(default_message_actv_name) | |
| 465 | else | ||
| 466 |
2/4✗ Branch 0 not taken.
✓ Branch 1 taken 6 times.
✗ Branch 3 not taken.
✓ Branch 4 taken 6 times.
|
6 | allocate( this%activation, source=message_activation ) |
| 467 | end if | ||
| 468 |
1/2✗ Branch 0 not taken.
✓ Branch 1 taken 6 times.
|
6 | if(.not.allocated(readout_activation))then |
| 469 | ✗ | this%activation_readout = activation_setup(default_readout_actv_name) | |
| 470 | else | ||
| 471 |
2/4✗ Branch 0 not taken.
✓ Branch 1 taken 6 times.
✗ Branch 3 not taken.
✓ Branch 4 taken 6 times.
|
6 | allocate(this%activation_readout, source=readout_activation) |
| 472 | end if | ||
| 473 |
1/6✗ Branch 0 not taken.
✓ Branch 1 taken 6 times.
✗ Branch 2 not taken.
✗ Branch 3 not taken.
✗ Branch 5 not taken.
✗ Branch 6 not taken.
|
6 | if(allocated(this%kernel_init)) deallocate(this%kernel_init) |
| 474 |
2/2✓ Branch 0 taken 5 times.
✓ Branch 1 taken 1 times.
|
6 | if(.not.allocated(kernel_initialiser))then |
| 475 |
1/2✓ Branch 1 taken 5 times.
✗ Branch 2 not taken.
|
5 | buffer = get_default_initialiser(this%activation%name) |
| 476 |
5/14✗ Branch 0 not taken.
✓ Branch 1 taken 5 times.
✗ Branch 2 not taken.
✗ Branch 3 not taken.
✓ Branch 6 taken 5 times.
✗ Branch 7 not taken.
✗ Branch 8 not taken.
✓ Branch 9 taken 5 times.
✗ Branch 11 not taken.
✗ Branch 12 not taken.
✗ Branch 14 not taken.
✓ Branch 15 taken 5 times.
✓ Branch 17 taken 5 times.
✗ Branch 18 not taken.
|
5 | this%kernel_init = initialiser_setup(buffer) |
| 477 | else | ||
| 478 |
2/4✗ Branch 0 not taken.
✓ Branch 1 taken 1 times.
✗ Branch 3 not taken.
✓ Branch 4 taken 1 times.
|
1 | allocate(this%kernel_init, source=kernel_initialiser) |
| 479 | end if | ||
| 480 |
1/2✓ Branch 0 taken 6 times.
✗ Branch 1 not taken.
|
6 | if(present(verbose))then |
| 481 |
1/2✗ Branch 0 not taken.
✓ Branch 1 taken 6 times.
|
6 | if(abs(verbose).gt.0)then |
| 482 | write(*,'("DUVENAUD message activation function: ",A)') & | ||
| 483 | ✗ | trim(this%activation%name) | |
| 484 | write(*,'("DUVENAUD readout activation function: ",A)') & | ||
| 485 | ✗ | trim(this%activation_readout%name) | |
| 486 | write(*,'("DUVENAUD kernel initialiser: ",A)') & | ||
| 487 | ✗ | trim(this%kernel_init%name) | |
| 488 | end if | ||
| 489 | end if | ||
| 490 | |||
| 491 |
1/4✗ Branch 0 not taken.
✓ Branch 1 taken 6 times.
✗ Branch 2 not taken.
✗ Branch 3 not taken.
|
6 | if(allocated(this%num_params_msg)) deallocate(this%num_params_msg) |
| 492 |
7/14✓ Branch 0 taken 6 times.
✗ Branch 1 not taken.
✗ Branch 2 not taken.
✓ Branch 3 taken 6 times.
✗ Branch 4 not taken.
✓ Branch 5 taken 6 times.
✗ Branch 6 not taken.
✓ Branch 7 taken 6 times.
✗ Branch 8 not taken.
✓ Branch 9 taken 6 times.
✗ Branch 11 not taken.
✓ Branch 12 taken 6 times.
✗ Branch 14 not taken.
✓ Branch 15 taken 6 times.
|
6 | allocate(this%num_params_msg(1:this%num_time_steps)) |
| 493 |
2/2✓ Branch 0 taken 11 times.
✓ Branch 1 taken 6 times.
|
17 | do t = 1, this%num_time_steps |
| 494 | 22 | this%num_params_msg(t) = & | |
| 495 | 44 | ( this%num_vertex_features(t-1) + this%num_edge_features(0) ) * & | |
| 496 | 22 | this%num_vertex_features(t) * & | |
| 497 |
8/16✗ Branch 0 not taken.
✓ Branch 1 taken 11 times.
✗ Branch 3 not taken.
✓ Branch 4 taken 11 times.
✗ Branch 6 not taken.
✓ Branch 7 taken 11 times.
✗ Branch 9 not taken.
✓ Branch 10 taken 11 times.
✗ Branch 12 not taken.
✓ Branch 13 taken 11 times.
✗ Branch 15 not taken.
✓ Branch 16 taken 11 times.
✗ Branch 18 not taken.
✓ Branch 19 taken 11 times.
✗ Branch 21 not taken.
✓ Branch 22 taken 11 times.
|
17 | ( this%max_vertex_degree - this%min_vertex_degree + 1 ) |
| 498 | end do | ||
| 499 | this%num_params_readout = & | ||
| 500 |
6/10✗ Branch 0 not taken.
✓ Branch 1 taken 6 times.
✗ Branch 3 not taken.
✓ Branch 4 taken 6 times.
✗ Branch 6 not taken.
✓ Branch 7 taken 6 times.
✗ Branch 9 not taken.
✓ Branch 10 taken 6 times.
✓ Branch 12 taken 17 times.
✓ Branch 13 taken 6 times.
|
23 | sum( this%num_vertex_features * this%num_outputs ) |
| 501 | |||
| 502 |
1/4✗ Branch 0 not taken.
✓ Branch 1 taken 6 times.
✗ Branch 2 not taken.
✗ Branch 3 not taken.
|
6 | if(allocated(this%input_shape)) deallocate(this%input_shape) |
| 503 |
1/4✗ Branch 0 not taken.
✓ Branch 1 taken 6 times.
✗ Branch 2 not taken.
✗ Branch 3 not taken.
|
6 | if(allocated(this%output_shape)) deallocate(this%output_shape) |
| 504 | |||
| 505 | 6 | end subroutine set_hyperparams_duvenaud | |
| 506 | !############################################################################### | ||
| 507 | |||
| 508 | |||
| 509 | !############################################################################### | ||
| 510 |
1/2✓ Branch 0 taken 6 times.
✗ Branch 1 not taken.
|
6 | subroutine init_duvenaud(this, input_shape, verbose) |
| 511 | !! Initialise the message passing layer | ||
| 512 | use athena__initialiser, only: initialiser_setup | ||
| 513 | implicit none | ||
| 514 | |||
| 515 | ! Arguments | ||
| 516 | class(duvenaud_msgpass_layer_type), intent(inout) :: this | ||
| 517 | !! Instance of the fully connected layer | ||
| 518 | integer, dimension(:), intent(in) :: input_shape | ||
| 519 | !! Input shape | ||
| 520 | integer, optional, intent(in) :: verbose | ||
| 521 | !! Verbosity level | ||
| 522 | |||
| 523 | ! Local variables | ||
| 524 | integer :: t | ||
| 525 | !! Loop index | ||
| 526 | integer :: verbose_ = 0 | ||
| 527 | !! Verbosity level | ||
| 528 | |||
| 529 | |||
| 530 | !--------------------------------------------------------------------------- | ||
| 531 | ! Initialise optional arguments | ||
| 532 | !--------------------------------------------------------------------------- | ||
| 533 |
1/2✗ Branch 0 not taken.
✓ Branch 1 taken 6 times.
|
6 | if(present(verbose)) verbose_ = verbose |
| 534 | |||
| 535 | |||
| 536 | !--------------------------------------------------------------------------- | ||
| 537 | ! Initialise number of inputs | ||
| 538 | !--------------------------------------------------------------------------- | ||
| 539 |
10/16✓ Branch 0 taken 6 times.
✗ Branch 1 not taken.
✗ Branch 2 not taken.
✓ Branch 3 taken 6 times.
✗ Branch 5 not taken.
✓ Branch 6 taken 6 times.
✗ Branch 8 not taken.
✓ Branch 9 taken 6 times.
✗ Branch 11 not taken.
✓ Branch 12 taken 6 times.
✓ Branch 14 taken 12 times.
✓ Branch 15 taken 6 times.
✗ Branch 16 not taken.
✓ Branch 17 taken 6 times.
✓ Branch 18 taken 12 times.
✓ Branch 19 taken 6 times.
|
30 | if(.not.allocated(this%input_shape)) call this%set_shape([input_shape]) |
| 540 |
4/8✗ Branch 0 not taken.
✓ Branch 1 taken 6 times.
✗ Branch 2 not taken.
✗ Branch 3 not taken.
✓ Branch 4 taken 6 times.
✗ Branch 5 not taken.
✓ Branch 6 taken 6 times.
✓ Branch 7 taken 6 times.
|
12 | this%output_shape = [this%num_outputs] |
| 541 | 6 | this%num_params = this%get_num_params() | |
| 542 | |||
| 543 | |||
| 544 | !--------------------------------------------------------------------------- | ||
| 545 | ! Allocate weight, weight steps (velocities), output, and activation | ||
| 546 | !--------------------------------------------------------------------------- | ||
| 547 |
8/16✓ Branch 0 taken 6 times.
✗ Branch 1 not taken.
✓ Branch 2 taken 6 times.
✗ Branch 3 not taken.
✗ Branch 4 not taken.
✓ Branch 5 taken 6 times.
✗ Branch 6 not taken.
✓ Branch 7 taken 6 times.
✗ Branch 8 not taken.
✓ Branch 9 taken 6 times.
✗ Branch 10 not taken.
✓ Branch 11 taken 6 times.
✗ Branch 13 not taken.
✓ Branch 14 taken 6 times.
✗ Branch 16 not taken.
✓ Branch 17 taken 6 times.
|
6 | allocate(this%weight_shape(3,2*this%num_time_steps)) |
| 548 |
21/40✓ Branch 0 taken 6 times.
✗ Branch 1 not taken.
✓ Branch 2 taken 6 times.
✗ Branch 3 not taken.
✗ Branch 4 not taken.
✓ Branch 5 taken 6 times.
✗ Branch 6 not taken.
✓ Branch 7 taken 6 times.
✗ Branch 8 not taken.
✓ Branch 9 taken 6 times.
✗ Branch 10 not taken.
✓ Branch 11 taken 6 times.
✗ Branch 13 not taken.
✓ Branch 14 taken 6 times.
✗ Branch 16 not taken.
✓ Branch 17 taken 6 times.
✗ Branch 19 not taken.
✓ Branch 20 taken 6 times.
✗ Branch 22 not taken.
✓ Branch 23 taken 6 times.
✗ Branch 25 not taken.
✓ Branch 26 taken 6 times.
✗ Branch 28 not taken.
✓ Branch 29 taken 6 times.
✓ Branch 31 taken 22 times.
✓ Branch 32 taken 6 times.
✓ Branch 33 taken 22 times.
✗ Branch 34 not taken.
✗ Branch 35 not taken.
✓ Branch 36 taken 22 times.
✗ Branch 37 not taken.
✓ Branch 38 taken 22 times.
✗ Branch 39 not taken.
✓ Branch 40 taken 22 times.
✗ Branch 41 not taken.
✓ Branch 42 taken 22 times.
✗ Branch 43 not taken.
✓ Branch 44 taken 22 times.
✗ Branch 45 not taken.
✓ Branch 46 taken 22 times.
|
28 | allocate(this%params(this%num_time_steps*2)) |
| 549 |
2/2✓ Branch 0 taken 11 times.
✓ Branch 1 taken 6 times.
|
17 | do t = 1, this%num_time_steps |
| 550 | 99 | this%weight_shape(:,t) = [ & | |
| 551 | 22 | this%num_vertex_features(t), & | |
| 552 | 22 | this%num_vertex_features(t-1) + this%num_edge_features(0), & | |
| 553 | this%max_vertex_degree - this%min_vertex_degree + 1 & | ||
| 554 |
15/28✗ Branch 0 not taken.
✓ Branch 1 taken 11 times.
✗ Branch 3 not taken.
✓ Branch 4 taken 11 times.
✗ Branch 6 not taken.
✓ Branch 7 taken 11 times.
✗ Branch 9 not taken.
✓ Branch 10 taken 11 times.
✗ Branch 12 not taken.
✓ Branch 13 taken 11 times.
✗ Branch 15 not taken.
✓ Branch 16 taken 11 times.
✗ Branch 18 not taken.
✓ Branch 19 taken 11 times.
✗ Branch 21 not taken.
✓ Branch 22 taken 11 times.
✗ Branch 24 not taken.
✓ Branch 25 taken 11 times.
✗ Branch 27 not taken.
✓ Branch 28 taken 11 times.
✗ Branch 30 not taken.
✓ Branch 31 taken 11 times.
✗ Branch 33 not taken.
✓ Branch 34 taken 11 times.
✗ Branch 36 not taken.
✓ Branch 37 taken 11 times.
✓ Branch 39 taken 33 times.
✓ Branch 40 taken 11 times.
|
44 | ] |
| 555 | 77 | this%weight_shape(:,t+this%num_time_steps) = & | |
| 556 |
11/20✗ Branch 0 not taken.
✓ Branch 1 taken 11 times.
✗ Branch 3 not taken.
✓ Branch 4 taken 11 times.
✗ Branch 6 not taken.
✓ Branch 7 taken 11 times.
✗ Branch 9 not taken.
✓ Branch 10 taken 11 times.
✗ Branch 12 not taken.
✓ Branch 13 taken 11 times.
✗ Branch 15 not taken.
✓ Branch 16 taken 11 times.
✗ Branch 18 not taken.
✓ Branch 19 taken 11 times.
✗ Branch 21 not taken.
✓ Branch 22 taken 11 times.
✗ Branch 24 not taken.
✓ Branch 25 taken 11 times.
✓ Branch 27 taken 33 times.
✓ Branch 28 taken 11 times.
|
44 | [ this%num_outputs, this%num_vertex_features(t), 1 ] |
| 557 |
14/24✗ Branch 0 not taken.
✓ Branch 1 taken 11 times.
✗ Branch 3 not taken.
✓ Branch 4 taken 11 times.
✗ Branch 6 not taken.
✓ Branch 7 taken 11 times.
✗ Branch 9 not taken.
✓ Branch 10 taken 11 times.
✗ Branch 12 not taken.
✓ Branch 13 taken 11 times.
✗ Branch 15 not taken.
✓ Branch 16 taken 11 times.
✗ Branch 18 not taken.
✓ Branch 19 taken 11 times.
✗ Branch 21 not taken.
✓ Branch 22 taken 11 times.
✗ Branch 24 not taken.
✓ Branch 25 taken 11 times.
✓ Branch 27 taken 33 times.
✓ Branch 28 taken 11 times.
✗ Branch 29 not taken.
✓ Branch 30 taken 11 times.
✓ Branch 31 taken 44 times.
✓ Branch 32 taken 11 times.
|
88 | call this%params(t)%allocate( [ this%weight_shape(:,t), 1 ] ) |
| 558 | 22 | call this%params(t+this%num_time_steps)%allocate( & | |
| 559 | 66 | [ this%weight_shape(:2,t+this%num_time_steps), 1 ] & | |
| 560 |
14/24✗ Branch 0 not taken.
✓ Branch 1 taken 11 times.
✗ Branch 3 not taken.
✓ Branch 4 taken 11 times.
✗ Branch 6 not taken.
✓ Branch 7 taken 11 times.
✗ Branch 9 not taken.
✓ Branch 10 taken 11 times.
✗ Branch 12 not taken.
✓ Branch 13 taken 11 times.
✗ Branch 15 not taken.
✓ Branch 16 taken 11 times.
✗ Branch 18 not taken.
✓ Branch 19 taken 11 times.
✗ Branch 21 not taken.
✓ Branch 22 taken 11 times.
✗ Branch 24 not taken.
✓ Branch 25 taken 11 times.
✓ Branch 27 taken 22 times.
✓ Branch 28 taken 11 times.
✗ Branch 29 not taken.
✓ Branch 30 taken 11 times.
✓ Branch 31 taken 33 times.
✓ Branch 32 taken 11 times.
|
66 | ) |
| 561 |
2/4✗ Branch 0 not taken.
✓ Branch 1 taken 11 times.
✗ Branch 3 not taken.
✓ Branch 4 taken 11 times.
|
11 | call this%params(t)%set_requires_grad(.true.) |
| 562 |
2/4✗ Branch 0 not taken.
✓ Branch 1 taken 11 times.
✗ Branch 3 not taken.
✓ Branch 4 taken 11 times.
|
11 | this%params(t)%fix_pointer = .true. |
| 563 |
2/4✗ Branch 0 not taken.
✓ Branch 1 taken 11 times.
✗ Branch 3 not taken.
✓ Branch 4 taken 11 times.
|
11 | this%params(t)%is_temporary = .false. |
| 564 |
2/4✗ Branch 0 not taken.
✓ Branch 1 taken 11 times.
✗ Branch 3 not taken.
✓ Branch 4 taken 11 times.
|
11 | this%params(t)%is_sample_dependent = .false. |
| 565 |
6/12✗ Branch 0 not taken.
✓ Branch 1 taken 11 times.
✗ Branch 3 not taken.
✓ Branch 4 taken 11 times.
✗ Branch 6 not taken.
✓ Branch 7 taken 11 times.
✗ Branch 8 not taken.
✗ Branch 9 not taken.
✓ Branch 10 taken 11 times.
✗ Branch 11 not taken.
✓ Branch 12 taken 22 times.
✓ Branch 13 taken 11 times.
|
33 | this%params(t)%indices = [ this%min_vertex_degree, this%max_vertex_degree ] |
| 566 |
2/4✗ Branch 0 not taken.
✓ Branch 1 taken 11 times.
✗ Branch 3 not taken.
✓ Branch 4 taken 11 times.
|
11 | call this%params(t+this%num_time_steps)%set_requires_grad(.true.) |
| 567 |
2/4✗ Branch 0 not taken.
✓ Branch 1 taken 11 times.
✗ Branch 3 not taken.
✓ Branch 4 taken 11 times.
|
11 | this%params(t+this%num_time_steps)%fix_pointer = .true. |
| 568 |
2/4✗ Branch 0 not taken.
✓ Branch 1 taken 11 times.
✗ Branch 3 not taken.
✓ Branch 4 taken 11 times.
|
11 | this%params(t+this%num_time_steps)%is_temporary = .false. |
| 569 |
2/4✗ Branch 0 not taken.
✓ Branch 1 taken 11 times.
✗ Branch 3 not taken.
✓ Branch 4 taken 11 times.
|
17 | this%params(t+this%num_time_steps)%is_sample_dependent = .false. |
| 570 | end do | ||
| 571 | |||
| 572 | |||
| 573 | !--------------------------------------------------------------------------- | ||
| 574 | ! Initialise weights (kernels) | ||
| 575 | !--------------------------------------------------------------------------- | ||
| 576 |
2/2✓ Branch 0 taken 11 times.
✓ Branch 1 taken 6 times.
|
17 | do t = 1, this%num_time_steps, 1 |
| 577 | call this%kernel_init%initialise( & | ||
| 578 | 110 | this%params(t)%val(:,1), & | |
| 579 | 44 | fan_in = this%num_vertex_features(t-1) + this%num_edge_features(0), & | |
| 580 | 22 | fan_out = this%num_vertex_features(t), & | |
| 581 | 22 | spacing = [ this%num_vertex_features(t-1) ] & | |
| 582 |
20/38✗ Branch 0 not taken.
✓ Branch 1 taken 11 times.
✗ Branch 3 not taken.
✓ Branch 4 taken 11 times.
✗ Branch 6 not taken.
✓ Branch 7 taken 11 times.
✗ Branch 9 not taken.
✓ Branch 10 taken 11 times.
✗ Branch 12 not taken.
✓ Branch 13 taken 11 times.
✗ Branch 15 not taken.
✓ Branch 16 taken 11 times.
✗ Branch 18 not taken.
✓ Branch 19 taken 11 times.
✗ Branch 21 not taken.
✓ Branch 22 taken 11 times.
✗ Branch 24 not taken.
✓ Branch 25 taken 11 times.
✗ Branch 27 not taken.
✓ Branch 28 taken 11 times.
✗ Branch 30 not taken.
✓ Branch 31 taken 11 times.
✗ Branch 33 not taken.
✓ Branch 34 taken 11 times.
✗ Branch 36 not taken.
✓ Branch 37 taken 11 times.
✗ Branch 39 not taken.
✓ Branch 40 taken 11 times.
✗ Branch 42 not taken.
✓ Branch 43 taken 11 times.
✗ Branch 45 not taken.
✓ Branch 46 taken 11 times.
✗ Branch 48 not taken.
✓ Branch 49 taken 11 times.
✗ Branch 51 not taken.
✓ Branch 52 taken 11 times.
✓ Branch 54 taken 11 times.
✓ Branch 55 taken 11 times.
|
22 | ) |
| 583 | call this%kernel_init%initialise( & | ||
| 584 | 110 | this%params(t+this%num_time_steps)%val(:,1), & | |
| 585 | 44 | fan_in = sum(this%num_vertex_features), & | |
| 586 | fan_out = this%num_outputs, & | ||
| 587 | spacing = this%num_vertex_features & | ||
| 588 |
16/30✗ Branch 0 not taken.
✓ Branch 1 taken 11 times.
✗ Branch 3 not taken.
✓ Branch 4 taken 11 times.
✗ Branch 6 not taken.
✓ Branch 7 taken 11 times.
✗ Branch 9 not taken.
✓ Branch 10 taken 11 times.
✗ Branch 12 not taken.
✓ Branch 13 taken 11 times.
✗ Branch 15 not taken.
✓ Branch 16 taken 11 times.
✗ Branch 18 not taken.
✓ Branch 19 taken 11 times.
✗ Branch 21 not taken.
✓ Branch 22 taken 11 times.
✗ Branch 24 not taken.
✓ Branch 25 taken 11 times.
✗ Branch 27 not taken.
✓ Branch 28 taken 11 times.
✗ Branch 30 not taken.
✓ Branch 31 taken 11 times.
✗ Branch 33 not taken.
✓ Branch 34 taken 11 times.
✗ Branch 36 not taken.
✓ Branch 37 taken 11 times.
✗ Branch 39 not taken.
✓ Branch 40 taken 11 times.
✓ Branch 42 taken 34 times.
✓ Branch 43 taken 11 times.
|
51 | ) |
| 589 | end do | ||
| 590 | |||
| 591 | |||
| 592 | !--------------------------------------------------------------------------- | ||
| 593 | ! Allocate arrays | ||
| 594 | !--------------------------------------------------------------------------- | ||
| 595 |
1/6✗ Branch 0 not taken.
✓ Branch 1 taken 6 times.
✗ Branch 2 not taken.
✗ Branch 3 not taken.
✗ Branch 5 not taken.
✗ Branch 6 not taken.
|
6 | if(allocated(this%output)) deallocate(this%output) |
| 596 |
15/26✗ Branch 0 not taken.
✓ Branch 1 taken 6 times.
✗ Branch 3 not taken.
✓ Branch 4 taken 6 times.
✗ Branch 6 not taken.
✓ Branch 7 taken 6 times.
✗ Branch 9 not taken.
✓ Branch 10 taken 6 times.
✗ Branch 12 not taken.
✓ Branch 13 taken 6 times.
✗ Branch 15 not taken.
✓ Branch 16 taken 6 times.
✗ Branch 18 not taken.
✓ Branch 19 taken 6 times.
✗ Branch 21 not taken.
✓ Branch 22 taken 6 times.
✗ Branch 24 not taken.
✓ Branch 25 taken 6 times.
✗ Branch 27 not taken.
✓ Branch 28 taken 6 times.
✗ Branch 30 not taken.
✓ Branch 31 taken 6 times.
✓ Branch 33 taken 6 times.
✓ Branch 34 taken 6 times.
✓ Branch 35 taken 6 times.
✓ Branch 36 taken 6 times.
|
18 | allocate(this%output(1,1)) |
| 597 |
1/4✗ Branch 0 not taken.
✓ Branch 1 taken 6 times.
✗ Branch 2 not taken.
✗ Branch 3 not taken.
|
6 | if(allocated(this%z)) deallocate(this%z) |
| 598 | |||
| 599 | 6 | end subroutine init_duvenaud | |
| 600 | !############################################################################### | ||
| 601 | |||
| 602 | |||
| 603 | !##############################################################################! | ||
| 604 |
1/2✓ Branch 0 taken 10 times.
✗ Branch 1 not taken.
|
10 | subroutine set_graph_duvenaud(this, graph) |
| 605 | !! Set the graph structure of the input data | ||
| 606 | implicit none | ||
| 607 | |||
| 608 | ! Arguments | ||
| 609 | class(duvenaud_msgpass_layer_type), intent(inout) :: this | ||
| 610 | !! Instance of the layer | ||
| 611 | type(graph_type), dimension(:), intent(in) :: graph | ||
| 612 | !! Graph structure of input data | ||
| 613 | |||
| 614 | ! Local variables | ||
| 615 | integer :: s, t | ||
| 616 | !! Loop indices | ||
| 617 | |||
| 618 |
2/2✓ Branch 0 taken 5 times.
✓ Branch 1 taken 5 times.
|
10 | if(allocated(this%graph))then |
| 619 |
4/8✗ Branch 0 not taken.
✓ Branch 1 taken 5 times.
✗ Branch 3 not taken.
✓ Branch 4 taken 5 times.
✗ Branch 6 not taken.
✓ Branch 7 taken 5 times.
✗ Branch 9 not taken.
✓ Branch 10 taken 5 times.
|
5 | if(size(this%graph).ne.size(graph))then |
| 620 | ✗ | deallocate(this%graph) | |
| 621 | ✗ | allocate(this%graph(size(graph))) | |
| 622 | end if | ||
| 623 | else | ||
| 624 |
27/60✗ Branch 0 not taken.
✓ Branch 1 taken 5 times.
✗ Branch 3 not taken.
✓ Branch 4 taken 5 times.
✗ Branch 6 not taken.
✓ Branch 7 taken 5 times.
✓ Branch 9 taken 5 times.
✗ Branch 10 not taken.
✗ Branch 11 not taken.
✓ Branch 12 taken 5 times.
✗ Branch 13 not taken.
✓ Branch 14 taken 5 times.
✗ Branch 15 not taken.
✓ Branch 16 taken 5 times.
✗ Branch 17 not taken.
✓ Branch 18 taken 5 times.
✗ Branch 20 not taken.
✓ Branch 21 taken 5 times.
✗ Branch 23 not taken.
✓ Branch 24 taken 5 times.
✗ Branch 26 not taken.
✓ Branch 27 taken 5 times.
✗ Branch 29 not taken.
✓ Branch 30 taken 5 times.
✗ Branch 32 not taken.
✓ Branch 33 taken 5 times.
✗ Branch 35 not taken.
✓ Branch 36 taken 5 times.
✓ Branch 38 taken 5 times.
✓ Branch 39 taken 5 times.
✓ Branch 40 taken 5 times.
✗ Branch 41 not taken.
✗ Branch 42 not taken.
✓ Branch 43 taken 5 times.
✗ Branch 44 not taken.
✓ Branch 45 taken 5 times.
✗ Branch 46 not taken.
✓ Branch 47 taken 5 times.
✗ Branch 48 not taken.
✓ Branch 49 taken 5 times.
✗ Branch 50 not taken.
✓ Branch 51 taken 5 times.
✗ Branch 52 not taken.
✓ Branch 53 taken 5 times.
✗ Branch 54 not taken.
✓ Branch 55 taken 5 times.
✗ Branch 56 not taken.
✓ Branch 57 taken 5 times.
✗ Branch 58 not taken.
✓ Branch 59 taken 5 times.
✗ Branch 60 not taken.
✗ Branch 61 not taken.
✗ Branch 62 not taken.
✗ Branch 63 not taken.
✗ Branch 64 not taken.
✓ Branch 65 taken 5 times.
✗ Branch 66 not taken.
✗ Branch 67 not taken.
✗ Branch 68 not taken.
✗ Branch 69 not taken.
|
10 | allocate(this%graph(size(graph))) |
| 625 | end if | ||
| 626 |
5/8✗ Branch 0 not taken.
✓ Branch 1 taken 10 times.
✗ Branch 3 not taken.
✓ Branch 4 taken 10 times.
✗ Branch 6 not taken.
✓ Branch 7 taken 10 times.
✓ Branch 9 taken 10 times.
✓ Branch 10 taken 10 times.
|
20 | do s = 1, size(graph) |
| 627 |
16/28✗ Branch 0 not taken.
✓ Branch 1 taken 10 times.
✗ Branch 3 not taken.
✓ Branch 4 taken 10 times.
✗ Branch 6 not taken.
✓ Branch 7 taken 10 times.
✗ Branch 9 not taken.
✓ Branch 10 taken 10 times.
✗ Branch 12 not taken.
✓ Branch 13 taken 10 times.
✗ Branch 15 not taken.
✓ Branch 16 taken 10 times.
✗ Branch 18 not taken.
✓ Branch 19 taken 10 times.
✗ Branch 21 not taken.
✓ Branch 22 taken 10 times.
✓ Branch 24 taken 5 times.
✓ Branch 25 taken 5 times.
✓ Branch 26 taken 5 times.
✗ Branch 27 not taken.
✓ Branch 28 taken 5 times.
✗ Branch 29 not taken.
✓ Branch 30 taken 5 times.
✗ Branch 31 not taken.
✓ Branch 32 taken 5 times.
✗ Branch 33 not taken.
✓ Branch 34 taken 58 times.
✓ Branch 35 taken 10 times.
|
68 | this%graph(s)%adj_ia = graph(s)%adj_ia |
| 628 |
25/44✗ Branch 0 not taken.
✓ Branch 1 taken 10 times.
✗ Branch 3 not taken.
✓ Branch 4 taken 10 times.
✗ Branch 6 not taken.
✓ Branch 7 taken 10 times.
✗ Branch 9 not taken.
✓ Branch 10 taken 10 times.
✗ Branch 12 not taken.
✓ Branch 13 taken 10 times.
✗ Branch 15 not taken.
✓ Branch 16 taken 10 times.
✗ Branch 18 not taken.
✓ Branch 19 taken 10 times.
✗ Branch 21 not taken.
✓ Branch 22 taken 10 times.
✗ Branch 24 not taken.
✓ Branch 25 taken 10 times.
✗ Branch 27 not taken.
✓ Branch 28 taken 10 times.
✗ Branch 30 not taken.
✓ Branch 31 taken 10 times.
✗ Branch 33 not taken.
✓ Branch 34 taken 10 times.
✓ Branch 36 taken 5 times.
✓ Branch 37 taken 5 times.
✓ Branch 38 taken 5 times.
✗ Branch 39 not taken.
✓ Branch 40 taken 5 times.
✗ Branch 41 not taken.
✓ Branch 42 taken 5 times.
✗ Branch 43 not taken.
✓ Branch 44 taken 5 times.
✗ Branch 45 not taken.
✓ Branch 46 taken 5 times.
✗ Branch 47 not taken.
✓ Branch 48 taken 5 times.
✗ Branch 49 not taken.
✓ Branch 50 taken 5 times.
✗ Branch 51 not taken.
✓ Branch 52 taken 118 times.
✓ Branch 53 taken 10 times.
✓ Branch 54 taken 236 times.
✓ Branch 55 taken 118 times.
|
364 | this%graph(s)%adj_ja = graph(s)%adj_ja |
| 629 |
16/28✗ Branch 0 not taken.
✓ Branch 1 taken 10 times.
✗ Branch 3 not taken.
✓ Branch 4 taken 10 times.
✗ Branch 6 not taken.
✓ Branch 7 taken 10 times.
✗ Branch 9 not taken.
✓ Branch 10 taken 10 times.
✗ Branch 12 not taken.
✓ Branch 13 taken 10 times.
✗ Branch 15 not taken.
✓ Branch 16 taken 10 times.
✗ Branch 18 not taken.
✓ Branch 19 taken 10 times.
✗ Branch 21 not taken.
✓ Branch 22 taken 10 times.
✓ Branch 24 taken 5 times.
✓ Branch 25 taken 5 times.
✓ Branch 26 taken 5 times.
✗ Branch 27 not taken.
✓ Branch 28 taken 5 times.
✗ Branch 29 not taken.
✓ Branch 30 taken 5 times.
✗ Branch 31 not taken.
✓ Branch 32 taken 5 times.
✗ Branch 33 not taken.
✓ Branch 34 taken 59 times.
✓ Branch 35 taken 10 times.
|
69 | this%graph(s)%edge_weights = graph(s)%edge_weights |
| 630 |
4/8✗ Branch 0 not taken.
✓ Branch 1 taken 10 times.
✗ Branch 3 not taken.
✓ Branch 4 taken 10 times.
✗ Branch 6 not taken.
✓ Branch 7 taken 10 times.
✗ Branch 9 not taken.
✓ Branch 10 taken 10 times.
|
10 | this%graph(s)%num_edges = graph(s)%num_edges |
| 631 |
4/8✗ Branch 0 not taken.
✓ Branch 1 taken 10 times.
✗ Branch 3 not taken.
✓ Branch 4 taken 10 times.
✗ Branch 6 not taken.
✓ Branch 7 taken 10 times.
✗ Branch 9 not taken.
✓ Branch 10 taken 10 times.
|
10 | this%graph(s)%num_vertices = graph(s)%num_vertices |
| 632 |
14/26✗ Branch 0 not taken.
✓ Branch 1 taken 10 times.
✗ Branch 3 not taken.
✓ Branch 4 taken 10 times.
✗ Branch 6 not taken.
✓ Branch 7 taken 10 times.
✗ Branch 9 not taken.
✓ Branch 10 taken 10 times.
✗ Branch 12 not taken.
✓ Branch 13 taken 10 times.
✗ Branch 15 not taken.
✓ Branch 16 taken 10 times.
✗ Branch 18 not taken.
✓ Branch 19 taken 10 times.
✗ Branch 21 not taken.
✓ Branch 22 taken 10 times.
✗ Branch 24 not taken.
✓ Branch 25 taken 10 times.
✗ Branch 27 not taken.
✓ Branch 28 taken 10 times.
✓ Branch 30 taken 118 times.
✓ Branch 31 taken 10 times.
✗ Branch 32 not taken.
✓ Branch 33 taken 118 times.
✗ Branch 34 not taken.
✓ Branch 35 taken 10 times.
|
138 | if(any(this%graph(s)%adj_ja(1,:).gt.this%graph(s)%num_vertices))then |
| 633 | write(*,*) "Error: graph adjacency matrix has indices greater than & | ||
| 634 | ✗ | &the number of vertices", s, & | |
| 635 | ✗ | this%graph(s)%num_vertices | |
| 636 | ✗ | write(*,*) "Adjacency matrix indices: ", this%graph(s)%adj_ja | |
| 637 | ✗ | stop | |
| 638 | end if | ||
| 639 | end do | ||
| 640 | |||
| 641 | 10 | end subroutine set_graph_duvenaud | |
| 642 | !##############################################################################! | ||
| 643 | |||
| 644 | |||
| 645 | !##############################################################################! | ||
| 646 | ! * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * ! | ||
| 647 | !##############################################################################! | ||
| 648 | |||
| 649 | |||
| 650 | !############################################################################### | ||
| 651 | 1 | subroutine print_to_unit_duvenaud(this, unit) | |
| 652 | !! Print kipf message passing layer to unit | ||
| 653 | use coreutils, only: to_upper | ||
| 654 | implicit none | ||
| 655 | |||
| 656 | ! Arguments | ||
| 657 | class(duvenaud_msgpass_layer_type), intent(in) :: this | ||
| 658 | !! Instance of the message passing layer | ||
| 659 | integer, intent(in) :: unit | ||
| 660 | !! Filename | ||
| 661 | |||
| 662 | ! Local variables | ||
| 663 | integer :: t | ||
| 664 | !! Loop index | ||
| 665 | character(100) :: fmt | ||
| 666 | !! Format string | ||
| 667 | |||
| 668 | |||
| 669 | ! Write initial parameters | ||
| 670 | !--------------------------------------------------------------------------- | ||
| 671 | 1 | write(unit,'(3X,"NUM_TIME_STEPS = ",I0)') this%num_time_steps | |
| 672 | write(fmt,'("(3X,""NUM_VERTEX_FEATURES ="",",I0,"(1X,I0))")') & | ||
| 673 | 1 | this%num_time_steps + 1 | |
| 674 | 1 | write(unit,fmt) this%num_vertex_features | |
| 675 | write(fmt,'("(3X,""NUM_EDGE_FEATURES ="",",I0,"(1X,I0))")') & | ||
| 676 | 1 | this%num_time_steps + 1 | |
| 677 | 1 | write(unit,fmt) this%num_edge_features | |
| 678 | |||
| 679 |
1/2✓ Branch 0 taken 1 times.
✗ Branch 1 not taken.
|
1 | if(this%activation%name .ne. 'none')then |
| 680 | 1 | call this%activation%print_to_unit(unit, identifier='MESSAGE') | |
| 681 | end if | ||
| 682 |
1/2✓ Branch 0 taken 1 times.
✗ Branch 1 not taken.
|
1 | if(this%activation_readout%name .ne. 'none')then |
| 683 | 1 | call this%activation_readout%print_to_unit(unit, identifier='READOUT') | |
| 684 | end if | ||
| 685 | |||
| 686 | |||
| 687 | ! Write learned parameters | ||
| 688 | !--------------------------------------------------------------------------- | ||
| 689 | 1 | write(unit,'("WEIGHTS")') | |
| 690 |
2/2✓ Branch 0 taken 3 times.
✓ Branch 1 taken 1 times.
|
4 | do t = 1, this%num_time_steps, 1 |
| 691 |
10/18✗ Branch 1 not taken.
✓ Branch 2 taken 3 times.
✗ Branch 4 not taken.
✓ Branch 5 taken 3 times.
✗ Branch 7 not taken.
✓ Branch 8 taken 3 times.
✗ Branch 10 not taken.
✓ Branch 11 taken 3 times.
✗ Branch 13 not taken.
✓ Branch 14 taken 3 times.
✗ Branch 16 not taken.
✓ Branch 17 taken 3 times.
✗ Branch 19 not taken.
✓ Branch 20 taken 3 times.
✗ Branch 22 not taken.
✓ Branch 23 taken 3 times.
✓ Branch 25 taken 1980 times.
✓ Branch 26 taken 3 times.
|
1984 | write(unit,'(5(E16.8E2))') this%params(t)%val(:,1) |
| 692 | end do | ||
| 693 |
2/2✓ Branch 0 taken 3 times.
✓ Branch 1 taken 1 times.
|
4 | do t = 1, this%num_time_steps, 1 |
| 694 |
10/18✗ Branch 1 not taken.
✓ Branch 2 taken 3 times.
✗ Branch 4 not taken.
✓ Branch 5 taken 3 times.
✗ Branch 7 not taken.
✓ Branch 8 taken 3 times.
✗ Branch 10 not taken.
✓ Branch 11 taken 3 times.
✗ Branch 13 not taken.
✓ Branch 14 taken 3 times.
✗ Branch 16 not taken.
✓ Branch 17 taken 3 times.
✗ Branch 19 not taken.
✓ Branch 20 taken 3 times.
✗ Branch 22 not taken.
✓ Branch 23 taken 3 times.
✓ Branch 25 taken 150 times.
✓ Branch 26 taken 3 times.
|
154 | write(unit,'(5(E16.8E2))') this%params(t+this%num_time_steps)%val(:,1) |
| 695 | end do | ||
| 696 | 1 | write(unit,'("END WEIGHTS")') | |
| 697 | |||
| 698 | 1 | end subroutine print_to_unit_duvenaud | |
| 699 | !############################################################################### | ||
| 700 | |||
| 701 | |||
| 702 | !############################################################################### | ||
| 703 | 1 | subroutine read_duvenaud(this, unit, verbose) | |
| 704 | !! Read the message passing layer | ||
| 705 | implicit none | ||
| 706 | |||
| 707 | ! Arguments | ||
| 708 | class(duvenaud_msgpass_layer_type), intent(inout) :: this | ||
| 709 | !! Instance of the message passing layer | ||
| 710 | integer, intent(in) :: unit | ||
| 711 | !! Unit to read from | ||
| 712 | integer, optional, intent(in) :: verbose | ||
| 713 | !! Verbosity level | ||
| 714 | 1 | end subroutine read_duvenaud | |
| 715 | !############################################################################### | ||
| 716 | |||
| 717 | |||
| 718 | !############################################################################### | ||
| 719 | 1 | function read_duvenaud_msgpass_layer(unit, verbose) result(layer) | |
| 720 | !! Read duvenaud message passing layer from file and return layer | ||
| 721 | implicit none | ||
| 722 | |||
| 723 | ! Arguments | ||
| 724 | integer, intent(in) :: unit | ||
| 725 | !! Unit number | ||
| 726 | integer, optional, intent(in) :: verbose | ||
| 727 | !! Verbosity level | ||
| 728 | class(base_layer_type), allocatable :: layer | ||
| 729 | !! Instance of the message passing layer | ||
| 730 | |||
| 731 | ! Local variables | ||
| 732 | integer :: verbose_ = 0 | ||
| 733 | !! Verbosity level | ||
| 734 | |||
| 735 |
1/2✗ Branch 0 not taken.
✓ Branch 1 taken 1 times.
|
1 | if(present(verbose)) verbose_ = verbose |
| 736 | ✗ | allocate(layer, source = duvenaud_msgpass_layer_type( & | |
| 737 | num_vertex_features = [ 0 ], & | ||
| 738 | num_edge_features = [ 0 ], & | ||
| 739 | num_time_steps = 1, & | ||
| 740 | max_vertex_degree = 1, & | ||
| 741 | num_outputs = 1 & | ||
| 742 |
30/98✗ Branch 1 not taken.
✓ Branch 2 taken 1 times.
✗ Branch 3 not taken.
✓ Branch 4 taken 1 times.
✓ Branch 6 taken 1 times.
✗ Branch 7 not taken.
✗ Branch 8 not taken.
✓ Branch 9 taken 1 times.
✗ Branch 10 not taken.
✗ Branch 11 not taken.
✗ Branch 12 not taken.
✗ Branch 13 not taken.
✗ Branch 14 not taken.
✗ Branch 15 not taken.
✗ Branch 16 not taken.
✗ Branch 17 not taken.
✗ Branch 18 not taken.
✗ Branch 19 not taken.
✗ Branch 20 not taken.
✗ Branch 21 not taken.
✗ Branch 22 not taken.
✗ Branch 23 not taken.
✗ Branch 24 not taken.
✗ Branch 25 not taken.
✗ Branch 26 not taken.
✗ Branch 27 not taken.
✗ Branch 28 not taken.
✗ Branch 29 not taken.
✗ Branch 30 not taken.
✗ Branch 31 not taken.
✗ Branch 32 not taken.
✗ Branch 33 not taken.
✗ Branch 34 not taken.
✗ Branch 35 not taken.
✗ Branch 36 not taken.
✗ Branch 37 not taken.
✗ Branch 38 not taken.
✗ Branch 39 not taken.
✗ Branch 40 not taken.
✗ Branch 41 not taken.
✗ Branch 42 not taken.
✗ Branch 43 not taken.
✗ Branch 44 not taken.
✗ Branch 45 not taken.
✓ Branch 46 taken 1 times.
✗ Branch 47 not taken.
✓ Branch 49 taken 1 times.
✗ Branch 50 not taken.
✓ Branch 51 taken 1 times.
✗ Branch 52 not taken.
✓ Branch 53 taken 1 times.
✗ Branch 54 not taken.
✓ Branch 55 taken 1 times.
✗ Branch 56 not taken.
✗ Branch 57 not taken.
✓ Branch 58 taken 1 times.
✓ Branch 59 taken 1 times.
✗ Branch 60 not taken.
✓ Branch 62 taken 1 times.
✗ Branch 63 not taken.
✓ Branch 64 taken 1 times.
✗ Branch 65 not taken.
✗ Branch 66 not taken.
✓ Branch 67 taken 1 times.
✓ Branch 69 taken 1 times.
✗ Branch 70 not taken.
✗ Branch 71 not taken.
✓ Branch 72 taken 1 times.
✗ Branch 73 not taken.
✗ Branch 74 not taken.
✗ Branch 76 not taken.
✓ Branch 77 taken 1 times.
✓ Branch 78 taken 1 times.
✗ Branch 79 not taken.
✗ Branch 80 not taken.
✓ Branch 81 taken 1 times.
✓ Branch 83 taken 1 times.
✗ Branch 84 not taken.
✓ Branch 85 taken 1 times.
✗ Branch 86 not taken.
✓ Branch 87 taken 1 times.
✗ Branch 88 not taken.
✓ Branch 89 taken 1 times.
✗ Branch 90 not taken.
✓ Branch 91 taken 1 times.
✗ Branch 92 not taken.
✗ Branch 93 not taken.
✓ Branch 94 taken 1 times.
✓ Branch 96 taken 1 times.
✗ Branch 97 not taken.
✗ Branch 98 not taken.
✓ Branch 99 taken 1 times.
✗ Branch 101 not taken.
✓ Branch 102 taken 1 times.
✗ Branch 103 not taken.
✓ Branch 104 taken 1 times.
✗ Branch 106 not taken.
✓ Branch 107 taken 1 times.
|
2 | )) |
| 743 | 1 | call layer%read(unit, verbose=verbose_) | |
| 744 | |||
| 745 | 2 | end function read_duvenaud_msgpass_layer | |
| 746 | !############################################################################### | ||
| 747 | |||
| 748 | |||
| 749 | !##############################################################################! | ||
| 750 | ! * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * ! | ||
| 751 | !##############################################################################! | ||
| 752 | |||
| 753 | |||
| 754 | !##############################################################################! | ||
| 755 |
1/2✓ Branch 0 taken 9 times.
✗ Branch 1 not taken.
|
9 | subroutine update_message_duvenaud(this, input) |
| 756 | !! Update the message | ||
| 757 | implicit none | ||
| 758 | |||
| 759 | ! Arguments | ||
| 760 | class(duvenaud_msgpass_layer_type), intent(inout), target :: this | ||
| 761 | !! Instance of the message passing layer | ||
| 762 | class(array_type), dimension(:,:), intent(in), target :: input | ||
| 763 | !! Input to the message passing layer | ||
| 764 | |||
| 765 | ! Local variables | ||
| 766 | integer :: s, t | ||
| 767 | !! Batch index, time step | ||
| 768 | logical :: has_activation | ||
| 769 | type(array_type), pointer :: ptr1, ptr2, ptr3, ptr_edge, ptr_params | ||
| 770 | !! Pointers to arrays | ||
| 771 | |||
| 772 | |||
| 773 |
2/2✓ Branch 0 taken 5 times.
✓ Branch 1 taken 4 times.
|
9 | if(allocated(this%z))then |
| 774 |
7/14✗ Branch 0 not taken.
✓ Branch 1 taken 5 times.
✗ Branch 3 not taken.
✓ Branch 4 taken 5 times.
✗ Branch 6 not taken.
✓ Branch 7 taken 5 times.
✗ Branch 9 not taken.
✓ Branch 10 taken 5 times.
✗ Branch 12 not taken.
✓ Branch 13 taken 5 times.
✗ Branch 15 not taken.
✓ Branch 16 taken 5 times.
✗ Branch 18 not taken.
✓ Branch 19 taken 5 times.
|
5 | if(size(this%z,2).ne.size(input,2))then |
| 775 | ✗ | deallocate(this%z) | |
| 776 | ✗ | allocate(this%z(this%num_time_steps,size(input,2))) | |
| 777 | end if | ||
| 778 | else | ||
| 779 |
34/64✓ Branch 0 taken 4 times.
✗ Branch 1 not taken.
✗ Branch 2 not taken.
✓ Branch 3 taken 4 times.
✗ Branch 4 not taken.
✓ Branch 5 taken 4 times.
✗ Branch 7 not taken.
✓ Branch 8 taken 4 times.
✗ Branch 10 not taken.
✓ Branch 11 taken 4 times.
✗ Branch 13 not taken.
✓ Branch 14 taken 4 times.
✗ Branch 16 not taken.
✓ Branch 17 taken 4 times.
✗ Branch 19 not taken.
✓ Branch 20 taken 4 times.
✓ Branch 22 taken 4 times.
✗ Branch 23 not taken.
✗ Branch 24 not taken.
✓ Branch 25 taken 4 times.
✗ Branch 26 not taken.
✓ Branch 27 taken 4 times.
✗ Branch 28 not taken.
✓ Branch 29 taken 4 times.
✗ Branch 30 not taken.
✓ Branch 31 taken 4 times.
✗ Branch 33 not taken.
✓ Branch 34 taken 4 times.
✗ Branch 36 not taken.
✓ Branch 37 taken 4 times.
✗ Branch 39 not taken.
✓ Branch 40 taken 4 times.
✗ Branch 42 not taken.
✓ Branch 43 taken 4 times.
✗ Branch 45 not taken.
✓ Branch 46 taken 4 times.
✗ Branch 48 not taken.
✓ Branch 49 taken 4 times.
✗ Branch 51 not taken.
✓ Branch 52 taken 4 times.
✗ Branch 54 not taken.
✓ Branch 55 taken 4 times.
✗ Branch 57 not taken.
✓ Branch 58 taken 4 times.
✗ Branch 60 not taken.
✓ Branch 61 taken 4 times.
✓ Branch 63 taken 4 times.
✓ Branch 64 taken 4 times.
✓ Branch 65 taken 7 times.
✓ Branch 66 taken 4 times.
✓ Branch 67 taken 7 times.
✗ Branch 68 not taken.
✗ Branch 69 not taken.
✓ Branch 70 taken 7 times.
✗ Branch 71 not taken.
✓ Branch 72 taken 7 times.
✗ Branch 73 not taken.
✓ Branch 74 taken 7 times.
✗ Branch 75 not taken.
✓ Branch 76 taken 7 times.
✗ Branch 77 not taken.
✓ Branch 78 taken 7 times.
✗ Branch 79 not taken.
✓ Branch 80 taken 7 times.
|
15 | allocate(this%z(this%num_time_steps,size(input,2))) |
| 780 | end if | ||
| 781 | |||
| 782 | |||
| 783 |
1/2✗ Branch 0 not taken.
✓ Branch 1 taken 9 times.
|
9 | if(.not.allocated(this%activation))then |
| 784 | ✗ | has_activation = .false. | |
| 785 | else | ||
| 786 |
2/4✓ Branch 1 taken 9 times.
✗ Branch 2 not taken.
✗ Branch 3 not taken.
✓ Branch 4 taken 9 times.
|
9 | if(trim(this%activation%name).eq."none")then |
| 787 | ✗ | has_activation = .true. | |
| 788 | else | ||
| 789 | 9 | has_activation = .true. | |
| 790 | end if | ||
| 791 | end if | ||
| 792 |
8/14✗ Branch 0 not taken.
✓ Branch 1 taken 9 times.
✗ Branch 3 not taken.
✓ Branch 4 taken 9 times.
✗ Branch 6 not taken.
✓ Branch 7 taken 9 times.
✗ Branch 9 not taken.
✓ Branch 10 taken 9 times.
✗ Branch 12 not taken.
✓ Branch 13 taken 9 times.
✗ Branch 15 not taken.
✓ Branch 16 taken 9 times.
✓ Branch 18 taken 9 times.
✓ Branch 19 taken 9 times.
|
18 | do s = 1, size(input,2) |
| 793 |
3/6✗ Branch 0 not taken.
✓ Branch 1 taken 9 times.
✗ Branch 3 not taken.
✓ Branch 4 taken 9 times.
✗ Branch 6 not taken.
✓ Branch 7 taken 9 times.
|
9 | ptr1 => input(1,s) |
| 794 |
3/6✗ Branch 0 not taken.
✓ Branch 1 taken 9 times.
✗ Branch 3 not taken.
✓ Branch 4 taken 9 times.
✗ Branch 6 not taken.
✓ Branch 7 taken 9 times.
|
9 | ptr_edge => input(2,s) |
| 795 |
2/2✓ Branch 0 taken 12 times.
✓ Branch 1 taken 9 times.
|
30 | do t = 1, this%num_time_steps |
| 796 | ptr2 => duvenaud_propagate( & | ||
| 797 | ptr1, ptr_edge, & | ||
| 798 | 48 | this%graph(s)%adj_ia, this%graph(s)%adj_ja & | |
| 799 |
4/8✗ Branch 0 not taken.
✓ Branch 1 taken 12 times.
✗ Branch 3 not taken.
✓ Branch 4 taken 12 times.
✗ Branch 6 not taken.
✓ Branch 7 taken 12 times.
✗ Branch 9 not taken.
✓ Branch 10 taken 12 times.
|
12 | ) |
| 800 | |||
| 801 |
2/4✗ Branch 0 not taken.
✓ Branch 1 taken 12 times.
✗ Branch 3 not taken.
✓ Branch 4 taken 12 times.
|
12 | ptr_params => this%params(t) |
| 802 | ptr3 => duvenaud_update( & | ||
| 803 | ptr2, ptr_params, & | ||
| 804 | 24 | this%graph(s)%adj_ia, & | |
| 805 | this%min_vertex_degree, this%max_vertex_degree & | ||
| 806 |
2/4✗ Branch 0 not taken.
✓ Branch 1 taken 12 times.
✗ Branch 3 not taken.
✓ Branch 4 taken 12 times.
|
12 | ) |
| 807 |
1/2✓ Branch 0 taken 12 times.
✗ Branch 1 not taken.
|
12 | if(has_activation)then |
| 808 | 12 | ptr3 => this%activation%apply( ptr3 ) | |
| 809 | end if | ||
| 810 |
4/8✗ Branch 0 not taken.
✓ Branch 1 taken 12 times.
✗ Branch 3 not taken.
✓ Branch 4 taken 12 times.
✗ Branch 6 not taken.
✓ Branch 7 taken 12 times.
✗ Branch 9 not taken.
✓ Branch 10 taken 12 times.
|
12 | call this%z(t,s)%zero_grad() |
| 811 |
4/8✗ Branch 0 not taken.
✓ Branch 1 taken 12 times.
✗ Branch 3 not taken.
✓ Branch 4 taken 12 times.
✗ Branch 6 not taken.
✓ Branch 7 taken 12 times.
✗ Branch 9 not taken.
✓ Branch 10 taken 12 times.
|
12 | call this%z(t,s)%assign_and_deallocate_source(ptr3) |
| 812 |
4/8✗ Branch 0 not taken.
✓ Branch 1 taken 12 times.
✗ Branch 3 not taken.
✓ Branch 4 taken 12 times.
✗ Branch 6 not taken.
✓ Branch 7 taken 12 times.
✗ Branch 9 not taken.
✓ Branch 10 taken 12 times.
|
12 | this%z(t,s)%is_temporary = .false. |
| 813 |
4/8✗ Branch 0 not taken.
✓ Branch 1 taken 12 times.
✗ Branch 3 not taken.
✓ Branch 4 taken 12 times.
✗ Branch 6 not taken.
✓ Branch 7 taken 12 times.
✗ Branch 9 not taken.
✓ Branch 10 taken 12 times.
|
21 | ptr1 => this%z(t,s) |
| 814 | end do | ||
| 815 | end do | ||
| 816 | |||
| 817 | 9 | end subroutine update_message_duvenaud | |
| 818 | !############################################################################### | ||
| 819 | |||
| 820 | |||
| 821 | !##############################################################################! | ||
| 822 | 9 | subroutine update_readout_duvenaud(this) | |
| 823 | !! Update the readout | ||
| 824 | implicit none | ||
| 825 | |||
| 826 | ! Arguments | ||
| 827 | class(duvenaud_msgpass_layer_type), intent(inout), target :: this | ||
| 828 | !! Instance of the message passing layer | ||
| 829 | |||
| 830 | ! Local variables | ||
| 831 | integer :: s, t, batch_size | ||
| 832 | !! Loop indices | ||
| 833 | type(array_type), pointer :: ptr1, ptr2, ptr3, ptr_params, ptr_z | ||
| 834 | |||
| 835 | |||
| 836 | 9 | batch_size = size(this%z,2) | |
| 837 |
4/8✗ Branch 0 not taken.
✓ Branch 1 taken 9 times.
✗ Branch 3 not taken.
✓ Branch 4 taken 9 times.
✗ Branch 6 not taken.
✓ Branch 7 taken 9 times.
✗ Branch 9 not taken.
✓ Branch 10 taken 9 times.
|
9 | call this%output(1,1)%zero_grad() |
| 838 |
2/2✓ Branch 0 taken 12 times.
✓ Branch 1 taken 9 times.
|
21 | do t = 1, this%num_time_steps, 1 |
| 839 |
2/2✓ Branch 0 taken 12 times.
✓ Branch 1 taken 12 times.
|
33 | do s = 1, batch_size, 1 |
| 840 |
2/4✗ Branch 0 not taken.
✓ Branch 1 taken 12 times.
✗ Branch 3 not taken.
✓ Branch 4 taken 12 times.
|
12 | ptr_params => this%params(t+this%num_time_steps) |
| 841 |
4/8✗ Branch 0 not taken.
✓ Branch 1 taken 12 times.
✗ Branch 3 not taken.
✓ Branch 4 taken 12 times.
✗ Branch 6 not taken.
✓ Branch 7 taken 12 times.
✗ Branch 9 not taken.
✓ Branch 10 taken 12 times.
|
12 | ptr_z => this%z(t,s) |
| 842 | ptr1 => matmul( & | ||
| 843 | ptr_params, & | ||
| 844 | ptr_z & | ||
| 845 | 12 | ) | |
| 846 | 12 | ptr2 => this%activation_readout%apply( ptr1 ) | |
| 847 |
2/2✓ Branch 0 taken 9 times.
✓ Branch 1 taken 3 times.
|
24 | if(t.eq.1.and.s.eq.1)then |
| 848 | ptr3 => & | ||
| 849 | 9 | sum( ptr2, dim = 2, new_dim_index=s, new_dim_size=batch_size ) | |
| 850 | else | ||
| 851 | ptr3 => ptr3 + & | ||
| 852 | 3 | sum( ptr2, dim = 2, new_dim_index=s, new_dim_size=batch_size ) | |
| 853 | end if | ||
| 854 | end do | ||
| 855 | end do | ||
| 856 |
4/8✗ Branch 0 not taken.
✓ Branch 1 taken 9 times.
✗ Branch 3 not taken.
✓ Branch 4 taken 9 times.
✗ Branch 6 not taken.
✓ Branch 7 taken 9 times.
✗ Branch 9 not taken.
✓ Branch 10 taken 9 times.
|
9 | call this%output(1,1)%assign_and_deallocate_source(ptr3) |
| 857 |
4/8✗ Branch 0 not taken.
✓ Branch 1 taken 9 times.
✗ Branch 3 not taken.
✓ Branch 4 taken 9 times.
✗ Branch 6 not taken.
✓ Branch 7 taken 9 times.
✗ Branch 9 not taken.
✓ Branch 10 taken 9 times.
|
9 | this%output(1,1)%is_temporary = .false. |
| 858 | |||
| 859 | 9 | end subroutine update_readout_duvenaud | |
| 860 | !############################################################################### | ||
| 861 | |||
| 862 | |||
| 863 | !############################################################################### | ||
| 864 | 1 | subroutine emit_onnx_nodes_duvenaud( & | |
| 865 | this, prefix, & | ||
| 866 | 1 | nodes, num_nodes, max_nodes, & | |
| 867 |
1/2✓ Branch 0 taken 1 times.
✗ Branch 1 not taken.
|
1 | inits, num_inits, max_inits, & |
| 868 | input_name, is_last_layer, format & | ||
| 869 | ) | ||
| 870 | !! Emit ONNX JSON nodes for Duvenaud GNN layer | ||
| 871 | !! | ||
| 872 | !! Decomposes the Duvenaud message passing layer into standard ONNX ops: | ||
| 873 | !! Gather, Concat, ScatterElements, MatMul, Sigmoid/activation, | ||
| 874 | !! Softmax, ReduceSum, Add, Div, Clip, Sub, etc. | ||
| 875 | !! | ||
| 876 | !! This override is called by write_onnx instead of the standard | ||
| 877 | !! node emission logic, making the ONNX export extensible for new | ||
| 878 | !! GNN layer types. | ||
| 879 | use athena__onnx_msgpass_utils, only: emit_output_identity | ||
| 880 | implicit none | ||
| 881 | |||
| 882 | ! Arguments | ||
| 883 | class(duvenaud_msgpass_layer_type), intent(in) :: this | ||
| 884 | !! Instance of the layer | ||
| 885 | character(*), intent(in) :: prefix | ||
| 886 | !! Node name prefix (e.g. "node_2") | ||
| 887 | type(onnx_node_type), intent(inout), dimension(:) :: nodes | ||
| 888 | !! Accumulator for ONNX nodes | ||
| 889 | integer, intent(inout) :: num_nodes | ||
| 890 | !! Current number of nodes | ||
| 891 | integer, intent(in) :: max_nodes | ||
| 892 | !! Maximum capacity | ||
| 893 | type(onnx_initialiser_type), intent(inout), dimension(:) :: inits | ||
| 894 | !! Accumulator for ONNX initialisers | ||
| 895 | integer, intent(inout) :: num_inits | ||
| 896 | !! Current number of initialisers | ||
| 897 | integer, intent(in) :: max_inits | ||
| 898 | !! Maximum capacity | ||
| 899 | character(*), optional, intent(in) :: input_name | ||
| 900 | !! Unused sequential input name | ||
| 901 | logical, optional, intent(in) :: is_last_layer | ||
| 902 | !! Unused last-layer flag | ||
| 903 | integer, optional, intent(in) :: format | ||
| 904 | !! Unused export format selector | ||
| 905 | |||
| 906 | ! Local variables | ||
| 907 | integer :: t | ||
| 908 | character(128) :: cur_vertex_name, readout_accum | ||
| 909 | |||
| 910 | ! Must be called with vertex_input, edge_input etc. already set | ||
| 911 | ! These are stored in the node's input naming convention | ||
| 912 | ! prefix is e.g. "node_2", inputs come from the calling context | ||
| 913 | |||
| 914 | ! ===== Emit message passing time steps ===== | ||
| 915 |
2/2✓ Branch 0 taken 2 times.
✓ Branch 1 taken 1 times.
|
3 | do t = 1, this%num_time_steps |
| 916 | call emit_duvenaud_timestep( & | ||
| 917 | prefix, t, & | ||
| 918 | 8 | this%num_vertex_features(t-1), this%num_edge_features(0), & | |
| 919 | 4 | this%num_vertex_features(t), & | |
| 920 | this%min_vertex_degree, this%max_vertex_degree, & | ||
| 921 | 20 | this%params(t)%val(:,1), & | |
| 922 | this%activation%name, & | ||
| 923 | ✗ | nodes, num_nodes, max_nodes, & | |
| 924 | ✗ | inits, num_inits, max_inits, & | |
| 925 | cur_vertex_name & | ||
| 926 |
22/44✗ Branch 0 not taken.
✓ Branch 1 taken 2 times.
✗ Branch 3 not taken.
✓ Branch 4 taken 2 times.
✗ Branch 6 not taken.
✓ Branch 7 taken 2 times.
✗ Branch 9 not taken.
✓ Branch 10 taken 2 times.
✗ Branch 12 not taken.
✓ Branch 13 taken 2 times.
✗ Branch 15 not taken.
✓ Branch 16 taken 2 times.
✗ Branch 18 not taken.
✓ Branch 19 taken 2 times.
✗ Branch 21 not taken.
✓ Branch 22 taken 2 times.
✗ Branch 24 not taken.
✓ Branch 25 taken 2 times.
✗ Branch 27 not taken.
✓ Branch 28 taken 2 times.
✗ Branch 30 not taken.
✓ Branch 31 taken 2 times.
✗ Branch 33 not taken.
✓ Branch 34 taken 2 times.
✗ Branch 36 not taken.
✓ Branch 37 taken 2 times.
✗ Branch 39 not taken.
✓ Branch 40 taken 2 times.
✗ Branch 42 not taken.
✓ Branch 43 taken 2 times.
✗ Branch 45 not taken.
✓ Branch 46 taken 2 times.
✗ Branch 48 not taken.
✓ Branch 49 taken 2 times.
✗ Branch 50 not taken.
✓ Branch 51 taken 2 times.
✗ Branch 52 not taken.
✓ Branch 53 taken 2 times.
✗ Branch 54 not taken.
✓ Branch 55 taken 2 times.
✗ Branch 56 not taken.
✓ Branch 57 taken 2 times.
✗ Branch 58 not taken.
✓ Branch 59 taken 2 times.
|
3 | ) |
| 927 | end do | ||
| 928 | |||
| 929 | ! ===== Emit readout ===== | ||
| 930 | call emit_duvenaud_readout_impl( & | ||
| 931 | prefix, this, & | ||
| 932 | ✗ | nodes, num_nodes, max_nodes, & | |
| 933 | ✗ | inits, num_inits, max_inits, & | |
| 934 | readout_accum & | ||
| 935 |
6/12✗ Branch 0 not taken.
✓ Branch 1 taken 1 times.
✗ Branch 2 not taken.
✓ Branch 3 taken 1 times.
✗ Branch 4 not taken.
✓ Branch 5 taken 1 times.
✗ Branch 6 not taken.
✓ Branch 7 taken 1 times.
✗ Branch 8 not taken.
✓ Branch 9 taken 1 times.
✗ Branch 10 not taken.
✓ Branch 11 taken 1 times.
|
1 | ) |
| 936 | |||
| 937 | ! The readout output becomes the layer output for downstream layers. | ||
| 938 | call emit_output_identity( & | ||
| 939 | prefix, trim(readout_accum), this%activation%name, & | ||
| 940 |
4/8✗ Branch 1 not taken.
✓ Branch 2 taken 1 times.
✗ Branch 4 not taken.
✓ Branch 5 taken 1 times.
✗ Branch 7 not taken.
✓ Branch 8 taken 1 times.
✓ Branch 11 taken 1 times.
✗ Branch 12 not taken.
|
1 | nodes, num_nodes) |
| 941 | |||
| 942 |
1/2✓ Branch 0 taken 1 times.
✗ Branch 1 not taken.
|
1 | end subroutine emit_onnx_nodes_duvenaud |
| 943 | !############################################################################### | ||
| 944 | |||
| 945 | |||
| 946 | !############################################################################### | ||
| 947 | ✗ | subroutine emit_onnx_graph_inputs_duvenaud( & | |
| 948 | this, prefix, & | ||
| 949 | ✗ | graph_inputs, num_inputs & | |
| 950 | ) | ||
| 951 | !! Emit graph input tensor declarations for Duvenaud GNN layer | ||
| 952 | !! | ||
| 953 | !! Adds: vertex features, edge features, edge_index [3, ncsr], degree | ||
| 954 | use athena__onnx_msgpass_utils, only: emit_msgpass_graph_inputs | ||
| 955 | implicit none | ||
| 956 | |||
| 957 | ! Arguments | ||
| 958 | class(duvenaud_msgpass_layer_type), intent(in) :: this | ||
| 959 | !! Instance of the layer | ||
| 960 | character(*), intent(in) :: prefix | ||
| 961 | !! Input name prefix (e.g. "input_1") | ||
| 962 | type(onnx_tensor_type), intent(inout), dimension(:) :: graph_inputs | ||
| 963 | !! Accumulator for graph input tensor declarations | ||
| 964 | integer, intent(inout) :: num_inputs | ||
| 965 | !! Current number of graph input declarations | ||
| 966 | |||
| 967 | call emit_msgpass_graph_inputs( & | ||
| 968 | ✗ | prefix, this%input_shape, graph_inputs, num_inputs) | |
| 969 | |||
| 970 | ✗ | end subroutine emit_onnx_graph_inputs_duvenaud | |
| 971 | !############################################################################### | ||
| 972 | |||
| 973 | |||
| 974 | !############################################################################### | ||
| 975 | 2 | subroutine emit_duvenaud_timestep( & | |
| 976 | prefix, t, nv_in, ne_in, nv_out, & | ||
| 977 | 2 | min_degree, max_degree, weight_data, activation_name, & | |
| 978 | 2 | nodes, num_nodes, max_nodes, & | |
| 979 |
3/6✓ Branch 0 taken 2 times.
✗ Branch 1 not taken.
✓ Branch 2 taken 2 times.
✗ Branch 3 not taken.
✗ Branch 4 not taken.
✓ Branch 5 taken 2 times.
|
4 | inits, num_inits, max_inits, vertex_out) |
| 980 | !! Emit ONNX nodes for one Duvenaud message passing time step. | ||
| 981 | use athena__onnx_utils, only: emit_node, emit_constant_int64, & | ||
| 982 | emit_activation_node | ||
| 983 | use athena__onnx_msgpass_utils, only: get_timestep_output_name, & | ||
| 984 | emit_edge_index_component, emit_scatter_aggregator | ||
| 985 | implicit none | ||
| 986 | |||
| 987 | ! Arguments | ||
| 988 | character(*), intent(in) :: prefix | ||
| 989 | integer, intent(in) :: t | ||
| 990 | integer, intent(in) :: nv_in, ne_in, nv_out | ||
| 991 | integer, intent(in) :: min_degree, max_degree | ||
| 992 | real(real32), intent(in) :: weight_data(:) | ||
| 993 | character(*), intent(in) :: activation_name | ||
| 994 | type(onnx_node_type), intent(inout), dimension(:) :: nodes | ||
| 995 | integer, intent(inout) :: num_nodes | ||
| 996 | integer, intent(in) :: max_nodes | ||
| 997 | type(onnx_initialiser_type), intent(inout), dimension(:) :: inits | ||
| 998 | integer, intent(inout) :: num_inits | ||
| 999 | integer, intent(in) :: max_inits | ||
| 1000 | character(128), intent(out) :: vertex_out | ||
| 1001 | |||
| 1002 | ! Local variables | ||
| 1003 | character(128) :: tp, tmp1, tmp2, tmp3 | ||
| 1004 | character(128) :: vertex_in, edge_in, edge_index_in, degree_in | ||
| 1005 | character(128) :: src_idx, edge_idx, target_idx | ||
| 1006 | character(128) :: msg_name, aggr_name, sq_out | ||
| 1007 | character(len=*), parameter :: onnx_axis0_attr = & | ||
| 1008 | ' "attribute": [{"name": "axis", "i": "0", "type": "INT"}]' | ||
| 1009 | character(len=*), parameter :: onnx_concat_axis1_attr = & | ||
| 1010 | ' "attribute": [{"name": "axis", "i": "1", "type": "INT"}]' | ||
| 1011 | |||
| 1012 |
1/2✓ Branch 3 taken 2 times.
✗ Branch 4 not taken.
|
2 | write(tp, '(A,"_t",I0)') trim(prefix), t |
| 1013 | |||
| 1014 | ! Input tensor names follow the convention set during write_onnx. | ||
| 1015 | ! For t=1 the vertex input comes from the previous layer, while edge, | ||
| 1016 | ! edge_index, and degree are always rooted at the original graph input. | ||
| 1017 |
1/2✓ Branch 3 taken 2 times.
✗ Branch 4 not taken.
|
2 | write(vertex_in, '(A,"_vertex_in")') trim(prefix) |
| 1018 |
1/2✓ Branch 3 taken 2 times.
✗ Branch 4 not taken.
|
2 | write(edge_in, '(A,"_edge_in")') trim(prefix) |
| 1019 |
1/2✓ Branch 3 taken 2 times.
✗ Branch 4 not taken.
|
2 | write(edge_index_in, '(A,"_edge_index_in")') trim(prefix) |
| 1020 |
1/2✓ Branch 3 taken 2 times.
✗ Branch 4 not taken.
|
2 | write(degree_in, '(A,"_degree_in")') trim(prefix) |
| 1021 |
2/2✓ Branch 0 taken 1 times.
✓ Branch 1 taken 1 times.
|
2 | if(t .gt. 1)then |
| 1022 | call get_timestep_output_name( & | ||
| 1023 | 1 | prefix, t-1, activation_name, '_sq_out', '_sq', vertex_in) | |
| 1024 | end if | ||
| 1025 | |||
| 1026 | ! --- Step 1: Extract source and edge-feature indices from edge_index --- | ||
| 1027 |
1/2✓ Branch 3 taken 2 times.
✗ Branch 4 not taken.
|
2 | write(tmp1, '(A,"_idx0")') trim(tp) |
| 1028 | call emit_constant_int64(trim(tmp1), [0], [1], & | ||
| 1029 |
7/14✗ Branch 1 not taken.
✓ Branch 2 taken 2 times.
✗ Branch 4 not taken.
✓ Branch 5 taken 2 times.
✗ Branch 7 not taken.
✓ Branch 8 taken 2 times.
✗ Branch 10 not taken.
✓ Branch 11 taken 2 times.
✗ Branch 13 not taken.
✓ Branch 14 taken 2 times.
✗ Branch 16 not taken.
✓ Branch 17 taken 2 times.
✓ Branch 20 taken 2 times.
✗ Branch 21 not taken.
|
2 | nodes, num_nodes, inits, num_inits) |
| 1030 |
1/2✓ Branch 3 taken 2 times.
✗ Branch 4 not taken.
|
2 | write(tmp2, '(A,"_idx1")') trim(tp) |
| 1031 | call emit_constant_int64(trim(tmp2), [1], [1], & | ||
| 1032 |
7/14✗ Branch 1 not taken.
✓ Branch 2 taken 2 times.
✗ Branch 4 not taken.
✓ Branch 5 taken 2 times.
✗ Branch 7 not taken.
✓ Branch 8 taken 2 times.
✗ Branch 10 not taken.
✓ Branch 11 taken 2 times.
✗ Branch 13 not taken.
✓ Branch 14 taken 2 times.
✗ Branch 16 not taken.
✓ Branch 17 taken 2 times.
✓ Branch 20 taken 2 times.
✗ Branch 21 not taken.
|
2 | nodes, num_nodes, inits, num_inits) |
| 1033 |
1/2✓ Branch 3 taken 2 times.
✗ Branch 4 not taken.
|
2 | write(tmp3, '(A,"_idx2")') trim(tp) |
| 1034 | call emit_constant_int64(trim(tmp3), [2], [1], & | ||
| 1035 |
7/14✗ Branch 1 not taken.
✓ Branch 2 taken 2 times.
✗ Branch 4 not taken.
✓ Branch 5 taken 2 times.
✗ Branch 7 not taken.
✓ Branch 8 taken 2 times.
✗ Branch 10 not taken.
✓ Branch 11 taken 2 times.
✗ Branch 13 not taken.
✓ Branch 14 taken 2 times.
✗ Branch 16 not taken.
✓ Branch 17 taken 2 times.
✓ Branch 20 taken 2 times.
✗ Branch 21 not taken.
|
2 | nodes, num_nodes, inits, num_inits) |
| 1036 | |||
| 1037 | call emit_edge_index_component( & | ||
| 1038 |
4/8✗ Branch 1 not taken.
✓ Branch 2 taken 2 times.
✗ Branch 4 not taken.
✓ Branch 5 taken 2 times.
✗ Branch 7 not taken.
✓ Branch 8 taken 2 times.
✓ Branch 11 taken 2 times.
✗ Branch 12 not taken.
|
2 | tp, edge_index_in, trim(tmp1), 'src', src_idx, nodes, num_nodes) |
| 1039 | call emit_edge_index_component( & | ||
| 1040 |
4/8✗ Branch 1 not taken.
✓ Branch 2 taken 2 times.
✗ Branch 4 not taken.
✓ Branch 5 taken 2 times.
✗ Branch 7 not taken.
✓ Branch 8 taken 2 times.
✓ Branch 11 taken 2 times.
✗ Branch 12 not taken.
|
2 | tp, edge_index_in, trim(tmp2), 'eidx', edge_idx, nodes, num_nodes) |
| 1041 | call emit_edge_index_component( & | ||
| 1042 |
4/8✗ Branch 1 not taken.
✓ Branch 2 taken 2 times.
✗ Branch 4 not taken.
✓ Branch 5 taken 2 times.
✗ Branch 7 not taken.
✓ Branch 8 taken 2 times.
✓ Branch 11 taken 2 times.
✗ Branch 12 not taken.
|
2 | tp, edge_index_in, trim(tmp3), 'tgt', target_idx, nodes, num_nodes) |
| 1043 | |||
| 1044 | ! --- Step 2: Gather source vertex features and edge features --- | ||
| 1045 |
1/2✓ Branch 3 taken 2 times.
✗ Branch 4 not taken.
|
2 | write(tmp1, '(A,"_src_feat")') trim(tp) |
| 1046 | call emit_node('Gather', trim(tp)//'_gather_vfeat', & | ||
| 1047 | ✗ | trim(tmp1), onnx_axis0_attr, nodes, num_nodes, & | |
| 1048 |
7/14✓ Branch 2 taken 2 times.
✗ Branch 3 not taken.
✗ Branch 5 not taken.
✓ Branch 6 taken 2 times.
✗ Branch 7 not taken.
✓ Branch 8 taken 2 times.
✗ Branch 9 not taken.
✓ Branch 10 taken 2 times.
✓ Branch 14 taken 2 times.
✗ Branch 15 not taken.
✓ Branch 16 taken 2 times.
✗ Branch 17 not taken.
✓ Branch 18 taken 2 times.
✗ Branch 19 not taken.
|
2 | in1=trim(vertex_in), in2=trim(src_idx)) |
| 1049 | |||
| 1050 |
1/2✓ Branch 3 taken 2 times.
✗ Branch 4 not taken.
|
2 | write(tmp2, '(A,"_edge_feat")') trim(tp) |
| 1051 | call emit_node('Gather', trim(tp)//'_gather_efeat', & | ||
| 1052 | ✗ | trim(tmp2), onnx_axis0_attr, nodes, num_nodes, & | |
| 1053 |
7/14✓ Branch 2 taken 2 times.
✗ Branch 3 not taken.
✗ Branch 5 not taken.
✓ Branch 6 taken 2 times.
✗ Branch 7 not taken.
✓ Branch 8 taken 2 times.
✗ Branch 9 not taken.
✓ Branch 10 taken 2 times.
✓ Branch 14 taken 2 times.
✗ Branch 15 not taken.
✓ Branch 16 taken 2 times.
✗ Branch 17 not taken.
✓ Branch 18 taken 2 times.
✗ Branch 19 not taken.
|
2 | in1=trim(edge_in), in2=trim(edge_idx)) |
| 1054 | |||
| 1055 | ! --- Step 3: Concat source vertex + edge features --- | ||
| 1056 |
1/2✓ Branch 3 taken 2 times.
✗ Branch 4 not taken.
|
2 | write(msg_name, '(A,"_msg")') trim(tp) |
| 1057 | call emit_node('Concat', trim(tp)//'_concat_msg', & | ||
| 1058 | ✗ | trim(msg_name), onnx_concat_axis1_attr, nodes, num_nodes, & | |
| 1059 |
7/14✓ Branch 2 taken 2 times.
✗ Branch 3 not taken.
✗ Branch 5 not taken.
✓ Branch 6 taken 2 times.
✗ Branch 7 not taken.
✓ Branch 8 taken 2 times.
✗ Branch 9 not taken.
✓ Branch 10 taken 2 times.
✓ Branch 14 taken 2 times.
✗ Branch 15 not taken.
✓ Branch 16 taken 2 times.
✗ Branch 17 not taken.
✓ Branch 18 taken 2 times.
✗ Branch 19 not taken.
|
2 | in1=trim(tmp1), in2=trim(tmp2)) |
| 1060 | |||
| 1061 | ! --- Step 4: Scatter-add to aggregate messages per target vertex --- | ||
| 1062 | call emit_scatter_aggregator( & | ||
| 1063 | tp, vertex_in, target_idx, msg_name, nv_in + ne_in, & | ||
| 1064 |
6/12✗ Branch 0 not taken.
✓ Branch 1 taken 2 times.
✗ Branch 3 not taken.
✓ Branch 4 taken 2 times.
✗ Branch 6 not taken.
✓ Branch 7 taken 2 times.
✗ Branch 9 not taken.
✓ Branch 10 taken 2 times.
✗ Branch 12 not taken.
✓ Branch 13 taken 2 times.
✗ Branch 15 not taken.
✓ Branch 16 taken 2 times.
|
2 | nodes, num_nodes, inits, num_inits, aggr_name) |
| 1065 | |||
| 1066 | ! --- Step 5: Degree-specific weight application --- | ||
| 1067 | call emit_duvenaud_degree_update( & | ||
| 1068 | tp, degree_in, min_degree, max_degree, nv_in + ne_in, nv_out, & | ||
| 1069 |
9/18✗ Branch 0 not taken.
✓ Branch 1 taken 2 times.
✗ Branch 3 not taken.
✓ Branch 4 taken 2 times.
✗ Branch 6 not taken.
✓ Branch 7 taken 2 times.
✗ Branch 9 not taken.
✓ Branch 10 taken 2 times.
✗ Branch 12 not taken.
✓ Branch 13 taken 2 times.
✗ Branch 15 not taken.
✓ Branch 16 taken 2 times.
✗ Branch 18 not taken.
✓ Branch 19 taken 2 times.
✗ Branch 21 not taken.
✓ Branch 22 taken 2 times.
✗ Branch 24 not taken.
✓ Branch 25 taken 2 times.
|
2 | weight_data, aggr_name, nodes, num_nodes, inits, num_inits, sq_out) |
| 1070 | |||
| 1071 | ! --- Step 6: Activation --- | ||
| 1072 |
2/4✓ Branch 1 taken 2 times.
✗ Branch 2 not taken.
✓ Branch 3 taken 2 times.
✗ Branch 4 not taken.
|
2 | if(trim(activation_name) .ne. 'none')then |
| 1073 | call emit_activation_node(activation_name, trim(tp)//'_sq', & | ||
| 1074 |
5/10✓ Branch 2 taken 2 times.
✗ Branch 3 not taken.
✗ Branch 5 not taken.
✓ Branch 6 taken 2 times.
✗ Branch 8 not taken.
✓ Branch 9 taken 2 times.
✗ Branch 11 not taken.
✓ Branch 12 taken 2 times.
✓ Branch 15 taken 2 times.
✗ Branch 16 not taken.
|
2 | trim(sq_out), nodes, num_nodes, max_nodes) |
| 1075 |
6/12✗ Branch 0 not taken.
✓ Branch 1 taken 2 times.
✗ Branch 3 not taken.
✓ Branch 4 taken 2 times.
✗ Branch 6 not taken.
✓ Branch 7 taken 2 times.
✗ Branch 9 not taken.
✓ Branch 10 taken 2 times.
✓ Branch 13 taken 2 times.
✗ Branch 14 not taken.
✓ Branch 15 taken 2 times.
✗ Branch 16 not taken.
|
2 | vertex_out = trim(nodes(num_nodes)%outputs(1)) |
| 1076 | else | ||
| 1077 | ✗ | vertex_out = trim(sq_out) | |
| 1078 | end if | ||
| 1079 | |||
| 1080 |
1/2✓ Branch 0 taken 2 times.
✗ Branch 1 not taken.
|
2 | end subroutine emit_duvenaud_timestep |
| 1081 | !############################################################################### | ||
| 1082 | |||
| 1083 | |||
| 1084 | !############################################################################### | ||
| 1085 | 2 | subroutine emit_duvenaud_degree_update( & | |
| 1086 | tp, degree_in, min_degree, max_degree, feature_dim, nv_out, & | ||
| 1087 |
3/6✓ Branch 0 taken 2 times.
✗ Branch 1 not taken.
✓ Branch 2 taken 2 times.
✗ Branch 3 not taken.
✗ Branch 4 not taken.
✓ Branch 5 taken 2 times.
|
2 | weight_data, aggr_in, nodes, num_nodes, inits, num_inits, sq_out) |
| 1088 | !! Emit the degree-dependent weight selection and update block. | ||
| 1089 | use athena__onnx_utils, only: emit_node, emit_squeeze_node, & | ||
| 1090 | emit_constant_int64, emit_constant_float | ||
| 1091 | use athena__onnx_msgpass_utils, only: emit_weight_initialiser_3d | ||
| 1092 | implicit none | ||
| 1093 | |||
| 1094 | ! Arguments | ||
| 1095 | character(*), intent(in) :: tp, degree_in, aggr_in | ||
| 1096 | integer, intent(in) :: min_degree, max_degree, feature_dim, nv_out | ||
| 1097 | real(real32), intent(in) :: weight_data(:) | ||
| 1098 | type(onnx_node_type), intent(inout), dimension(:) :: nodes | ||
| 1099 | integer, intent(inout) :: num_nodes | ||
| 1100 | type(onnx_initialiser_type), intent(inout), dimension(:) :: inits | ||
| 1101 | integer, intent(inout) :: num_inits | ||
| 1102 | character(128), intent(out) :: sq_out | ||
| 1103 | |||
| 1104 | ! Local variables | ||
| 1105 | character(128) :: min_deg_name, max_deg_name, deg_float | ||
| 1106 | character(128) :: deg_clip, deg_idx_float, deg_idx | ||
| 1107 | character(128) :: weight_name, weight_sel, deg_us | ||
| 1108 | character(128) :: aggr_norm, aggr_us, matmul_out | ||
| 1109 | character(128) :: axes1_name, axes2_name | ||
| 1110 | character(len=*), parameter :: onnx_axis0_attr = & | ||
| 1111 | ' "attribute": [{"name": "axis", "i": "0", "type": "INT"}]' | ||
| 1112 | character(len=*), parameter :: onnx_cast_float_attr = & | ||
| 1113 | ' "attribute": [{"name": "to", "i": "1", "type": "INT"}]' | ||
| 1114 | character(len=*), parameter :: onnx_cast_int64_attr = & | ||
| 1115 | ' "attribute": [{"name": "to", "i": "7", "type": "INT"}]' | ||
| 1116 | |||
| 1117 | ! Clip degree to the supported bucket interval. | ||
| 1118 |
1/2✓ Branch 3 taken 2 times.
✗ Branch 4 not taken.
|
2 | write(min_deg_name, '(A,"_min_deg")') trim(tp) |
| 1119 | call emit_constant_float(trim(min_deg_name), & | ||
| 1120 | [ real(min_degree, real32) ], [1], & | ||
| 1121 |
9/16✓ Branch 1 taken 2 times.
✓ Branch 2 taken 2 times.
✗ Branch 3 not taken.
✓ Branch 4 taken 2 times.
✗ Branch 6 not taken.
✓ Branch 7 taken 2 times.
✗ Branch 9 not taken.
✓ Branch 10 taken 2 times.
✗ Branch 12 not taken.
✓ Branch 13 taken 2 times.
✗ Branch 15 not taken.
✓ Branch 16 taken 2 times.
✗ Branch 18 not taken.
✓ Branch 19 taken 2 times.
✓ Branch 22 taken 2 times.
✗ Branch 23 not taken.
|
4 | nodes, num_nodes, inits, num_inits) |
| 1122 | |||
| 1123 |
1/2✓ Branch 3 taken 2 times.
✗ Branch 4 not taken.
|
2 | write(max_deg_name, '(A,"_max_deg")') trim(tp) |
| 1124 | call emit_constant_float(trim(max_deg_name), & | ||
| 1125 | [ real(max_degree, real32) ], [1], & | ||
| 1126 |
9/16✓ Branch 1 taken 2 times.
✓ Branch 2 taken 2 times.
✗ Branch 3 not taken.
✓ Branch 4 taken 2 times.
✗ Branch 6 not taken.
✓ Branch 7 taken 2 times.
✗ Branch 9 not taken.
✓ Branch 10 taken 2 times.
✗ Branch 12 not taken.
✓ Branch 13 taken 2 times.
✗ Branch 15 not taken.
✓ Branch 16 taken 2 times.
✗ Branch 18 not taken.
✓ Branch 19 taken 2 times.
✓ Branch 22 taken 2 times.
✗ Branch 23 not taken.
|
4 | nodes, num_nodes, inits, num_inits) |
| 1127 | |||
| 1128 |
1/2✓ Branch 3 taken 2 times.
✗ Branch 4 not taken.
|
2 | write(deg_float, '(A,"_deg_f")') trim(tp) |
| 1129 | call emit_node('Cast', trim(tp)//'_cast_deg', & | ||
| 1130 | ✗ | trim(deg_float), onnx_cast_float_attr, nodes, num_nodes, & | |
| 1131 |
6/12✓ Branch 2 taken 2 times.
✗ Branch 3 not taken.
✗ Branch 5 not taken.
✓ Branch 6 taken 2 times.
✗ Branch 7 not taken.
✓ Branch 8 taken 2 times.
✗ Branch 9 not taken.
✓ Branch 10 taken 2 times.
✓ Branch 13 taken 2 times.
✗ Branch 14 not taken.
✓ Branch 15 taken 2 times.
✗ Branch 16 not taken.
|
2 | in1=trim(degree_in)) |
| 1132 | |||
| 1133 |
1/2✓ Branch 3 taken 2 times.
✗ Branch 4 not taken.
|
2 | write(deg_clip, '(A,"_deg_clip")') trim(tp) |
| 1134 | call emit_node('Clip', trim(tp)//'_clip_deg', & | ||
| 1135 | ✗ | trim(deg_clip), '', nodes, num_nodes, & | |
| 1136 |
8/16✓ Branch 2 taken 2 times.
✗ Branch 3 not taken.
✗ Branch 5 not taken.
✓ Branch 6 taken 2 times.
✗ Branch 7 not taken.
✓ Branch 8 taken 2 times.
✗ Branch 9 not taken.
✓ Branch 10 taken 2 times.
✓ Branch 15 taken 2 times.
✗ Branch 16 not taken.
✓ Branch 17 taken 2 times.
✗ Branch 18 not taken.
✓ Branch 19 taken 2 times.
✗ Branch 20 not taken.
✓ Branch 21 taken 2 times.
✗ Branch 22 not taken.
|
2 | in1=trim(deg_float), in2=trim(min_deg_name), in3=trim(max_deg_name)) |
| 1137 | |||
| 1138 | ! Shift clipped degrees so they can index the weight bank from zero. | ||
| 1139 |
1/2✓ Branch 3 taken 2 times.
✗ Branch 4 not taken.
|
2 | write(deg_idx_float, '(A,"_deg_idx_f")') trim(tp) |
| 1140 | call emit_node('Sub', trim(tp)//'_sub_mindeg', & | ||
| 1141 | ✗ | trim(deg_idx_float), '', nodes, num_nodes, & | |
| 1142 |
7/14✓ Branch 2 taken 2 times.
✗ Branch 3 not taken.
✗ Branch 5 not taken.
✓ Branch 6 taken 2 times.
✗ Branch 7 not taken.
✓ Branch 8 taken 2 times.
✗ Branch 9 not taken.
✓ Branch 10 taken 2 times.
✓ Branch 14 taken 2 times.
✗ Branch 15 not taken.
✓ Branch 16 taken 2 times.
✗ Branch 17 not taken.
✓ Branch 18 taken 2 times.
✗ Branch 19 not taken.
|
2 | in1=trim(deg_clip), in2=trim(min_deg_name)) |
| 1143 | |||
| 1144 |
1/2✓ Branch 3 taken 2 times.
✗ Branch 4 not taken.
|
2 | write(deg_idx, '(A,"_deg_idx")') trim(tp) |
| 1145 | call emit_node('Cast', trim(tp)//'_cast_degidx', & | ||
| 1146 | ✗ | trim(deg_idx), onnx_cast_int64_attr, nodes, num_nodes, & | |
| 1147 |
6/12✓ Branch 2 taken 2 times.
✗ Branch 3 not taken.
✗ Branch 5 not taken.
✓ Branch 6 taken 2 times.
✗ Branch 7 not taken.
✓ Branch 8 taken 2 times.
✗ Branch 9 not taken.
✓ Branch 10 taken 2 times.
✓ Branch 13 taken 2 times.
✗ Branch 14 not taken.
✓ Branch 15 taken 2 times.
✗ Branch 16 not taken.
|
2 | in1=trim(deg_idx_float)) |
| 1148 | |||
| 1149 | ! Store the degree-specific weight bank as a 3D initialiser. | ||
| 1150 |
1/2✓ Branch 3 taken 2 times.
✗ Branch 4 not taken.
|
2 | write(weight_name, '(A,"_W")') trim(tp) |
| 1151 | call emit_weight_initialiser_3d( & | ||
| 1152 | trim(weight_name), max_degree - min_degree + 1, & | ||
| 1153 |
7/14✗ Branch 1 not taken.
✓ Branch 2 taken 2 times.
✗ Branch 4 not taken.
✓ Branch 5 taken 2 times.
✗ Branch 7 not taken.
✓ Branch 8 taken 2 times.
✗ Branch 10 not taken.
✓ Branch 11 taken 2 times.
✗ Branch 13 not taken.
✓ Branch 14 taken 2 times.
✗ Branch 16 not taken.
✓ Branch 17 taken 2 times.
✓ Branch 20 taken 2 times.
✗ Branch 21 not taken.
|
2 | nv_out, feature_dim, weight_data, inits, num_inits) |
| 1154 | |||
| 1155 |
1/2✓ Branch 3 taken 2 times.
✗ Branch 4 not taken.
|
2 | write(weight_sel, '(A,"_W_sel")') trim(tp) |
| 1156 | call emit_node('Gather', trim(tp)//'_gather_W', & | ||
| 1157 | ✗ | trim(weight_sel), onnx_axis0_attr, nodes, num_nodes, & | |
| 1158 |
7/14✓ Branch 2 taken 2 times.
✗ Branch 3 not taken.
✗ Branch 5 not taken.
✓ Branch 6 taken 2 times.
✗ Branch 7 not taken.
✓ Branch 8 taken 2 times.
✗ Branch 9 not taken.
✓ Branch 10 taken 2 times.
✓ Branch 14 taken 2 times.
✗ Branch 15 not taken.
✓ Branch 16 taken 2 times.
✗ Branch 17 not taken.
✓ Branch 18 taken 2 times.
✗ Branch 19 not taken.
|
2 | in1=trim(weight_name), in2=trim(deg_idx)) |
| 1159 | |||
| 1160 | ! Divide by degree and reshape for batched MatMul. | ||
| 1161 |
1/2✓ Branch 3 taken 2 times.
✗ Branch 4 not taken.
|
2 | write(axes1_name, '(A,"_us_ax1_deg")') trim(tp) |
| 1162 | call emit_constant_int64(trim(axes1_name), [1], [1], & | ||
| 1163 |
7/14✗ Branch 1 not taken.
✓ Branch 2 taken 2 times.
✗ Branch 4 not taken.
✓ Branch 5 taken 2 times.
✗ Branch 7 not taken.
✓ Branch 8 taken 2 times.
✗ Branch 10 not taken.
✓ Branch 11 taken 2 times.
✗ Branch 13 not taken.
✓ Branch 14 taken 2 times.
✗ Branch 16 not taken.
✓ Branch 17 taken 2 times.
✓ Branch 20 taken 2 times.
✗ Branch 21 not taken.
|
2 | nodes, num_nodes, inits, num_inits) |
| 1164 | |||
| 1165 |
1/2✓ Branch 3 taken 2 times.
✗ Branch 4 not taken.
|
2 | write(deg_us, '(A,"_deg_us")') trim(tp) |
| 1166 | call emit_node('Unsqueeze', trim(tp)//'_us_deg', & | ||
| 1167 | ✗ | trim(deg_us), '', nodes, num_nodes, & | |
| 1168 |
7/14✓ Branch 2 taken 2 times.
✗ Branch 3 not taken.
✗ Branch 5 not taken.
✓ Branch 6 taken 2 times.
✗ Branch 7 not taken.
✓ Branch 8 taken 2 times.
✗ Branch 9 not taken.
✓ Branch 10 taken 2 times.
✓ Branch 14 taken 2 times.
✗ Branch 15 not taken.
✓ Branch 16 taken 2 times.
✗ Branch 17 not taken.
✓ Branch 18 taken 2 times.
✗ Branch 19 not taken.
|
2 | in1=trim(deg_clip), in2=trim(axes1_name)) |
| 1169 | |||
| 1170 |
1/2✓ Branch 3 taken 2 times.
✗ Branch 4 not taken.
|
2 | write(aggr_norm, '(A,"_aggr_norm")') trim(tp) |
| 1171 | call emit_node('Div', trim(tp)//'_div_deg', & | ||
| 1172 | ✗ | trim(aggr_norm), '', nodes, num_nodes, & | |
| 1173 |
7/14✓ Branch 2 taken 2 times.
✗ Branch 3 not taken.
✗ Branch 5 not taken.
✓ Branch 6 taken 2 times.
✗ Branch 7 not taken.
✓ Branch 8 taken 2 times.
✗ Branch 9 not taken.
✓ Branch 10 taken 2 times.
✓ Branch 14 taken 2 times.
✗ Branch 15 not taken.
✓ Branch 16 taken 2 times.
✗ Branch 17 not taken.
✓ Branch 18 taken 2 times.
✗ Branch 19 not taken.
|
2 | in1=trim(aggr_in), in2=trim(deg_us)) |
| 1174 | |||
| 1175 |
1/2✓ Branch 3 taken 2 times.
✗ Branch 4 not taken.
|
2 | write(axes2_name, '(A,"_us_ax2")') trim(tp) |
| 1176 | call emit_constant_int64(trim(axes2_name), [2], [1], & | ||
| 1177 |
7/14✗ Branch 1 not taken.
✓ Branch 2 taken 2 times.
✗ Branch 4 not taken.
✓ Branch 5 taken 2 times.
✗ Branch 7 not taken.
✓ Branch 8 taken 2 times.
✗ Branch 10 not taken.
✓ Branch 11 taken 2 times.
✗ Branch 13 not taken.
✓ Branch 14 taken 2 times.
✗ Branch 16 not taken.
✓ Branch 17 taken 2 times.
✓ Branch 20 taken 2 times.
✗ Branch 21 not taken.
|
2 | nodes, num_nodes, inits, num_inits) |
| 1178 | |||
| 1179 |
1/2✓ Branch 3 taken 2 times.
✗ Branch 4 not taken.
|
2 | write(aggr_us, '(A,"_aggr_us")') trim(tp) |
| 1180 | call emit_node('Unsqueeze', trim(tp)//'_us_aggr', & | ||
| 1181 | ✗ | trim(aggr_us), '', nodes, num_nodes, & | |
| 1182 |
7/14✓ Branch 2 taken 2 times.
✗ Branch 3 not taken.
✗ Branch 5 not taken.
✓ Branch 6 taken 2 times.
✗ Branch 7 not taken.
✓ Branch 8 taken 2 times.
✗ Branch 9 not taken.
✓ Branch 10 taken 2 times.
✓ Branch 14 taken 2 times.
✗ Branch 15 not taken.
✓ Branch 16 taken 2 times.
✗ Branch 17 not taken.
✓ Branch 18 taken 2 times.
✗ Branch 19 not taken.
|
2 | in1=trim(aggr_norm), in2=trim(axes2_name)) |
| 1183 | |||
| 1184 |
1/2✓ Branch 3 taken 2 times.
✗ Branch 4 not taken.
|
2 | write(matmul_out, '(A,"_matmul_out")') trim(tp) |
| 1185 | call emit_node('MatMul', trim(tp)//'_matmul', & | ||
| 1186 | ✗ | trim(matmul_out), '', nodes, num_nodes, & | |
| 1187 |
7/14✓ Branch 2 taken 2 times.
✗ Branch 3 not taken.
✗ Branch 5 not taken.
✓ Branch 6 taken 2 times.
✗ Branch 7 not taken.
✓ Branch 8 taken 2 times.
✗ Branch 9 not taken.
✓ Branch 10 taken 2 times.
✓ Branch 14 taken 2 times.
✗ Branch 15 not taken.
✓ Branch 16 taken 2 times.
✗ Branch 17 not taken.
✓ Branch 18 taken 2 times.
✗ Branch 19 not taken.
|
2 | in1=trim(weight_sel), in2=trim(aggr_us)) |
| 1188 | |||
| 1189 |
1/2✓ Branch 3 taken 2 times.
✗ Branch 4 not taken.
|
2 | write(sq_out, '(A,"_sq_out")') trim(tp) |
| 1190 | call emit_squeeze_node(trim(tp)//'_sq_mm', & | ||
| 1191 | trim(matmul_out), trim(axes2_name), trim(sq_out), & | ||
| 1192 |
7/14✓ Branch 2 taken 2 times.
✗ Branch 3 not taken.
✗ Branch 7 not taken.
✓ Branch 8 taken 2 times.
✗ Branch 10 not taken.
✓ Branch 11 taken 2 times.
✗ Branch 13 not taken.
✓ Branch 14 taken 2 times.
✓ Branch 17 taken 2 times.
✗ Branch 18 not taken.
✓ Branch 19 taken 2 times.
✗ Branch 20 not taken.
✓ Branch 21 taken 2 times.
✗ Branch 22 not taken.
|
2 | nodes, num_nodes) |
| 1193 | |||
| 1194 |
1/2✓ Branch 0 taken 2 times.
✗ Branch 1 not taken.
|
2 | end subroutine emit_duvenaud_degree_update |
| 1195 | !############################################################################### | ||
| 1196 | |||
| 1197 | |||
| 1198 | !############################################################################### | ||
| 1199 | 2 | subroutine emit_duvenaud_readout_step( & | |
| 1200 | 2 | prefix, activation_name, t, nv, no, weight_data, & | |
| 1201 |
3/6✓ Branch 0 taken 2 times.
✗ Branch 1 not taken.
✓ Branch 2 taken 2 times.
✗ Branch 3 not taken.
✗ Branch 4 not taken.
✓ Branch 5 taken 2 times.
|
2 | nodes, num_nodes, inits, num_inits, step_sum) |
| 1202 | !! Emit one Duvenaud readout timestep. | ||
| 1203 | !! | ||
| 1204 | !! This expands to the timestep readout projection, the readout softmax, | ||
| 1205 | !! and the reduction over nodes before the timestep contributions are added. | ||
| 1206 | use athena__onnx_utils, only: emit_node, emit_constant_int64 | ||
| 1207 | use athena__onnx_msgpass_utils, only: get_timestep_output_name, & | ||
| 1208 | emit_weight_initialiser_2d | ||
| 1209 | implicit none | ||
| 1210 | |||
| 1211 | ! Arguments | ||
| 1212 | character(*), intent(in) :: prefix | ||
| 1213 | character(*), intent(in) :: activation_name | ||
| 1214 | integer, intent(in) :: t, nv, no | ||
| 1215 | real(real32), intent(in) :: weight_data(:) | ||
| 1216 | type(onnx_node_type), intent(inout), dimension(:) :: nodes | ||
| 1217 | integer, intent(inout) :: num_nodes | ||
| 1218 | type(onnx_initialiser_type), intent(inout), dimension(:) :: inits | ||
| 1219 | integer, intent(inout) :: num_inits | ||
| 1220 | character(128), intent(out) :: step_sum | ||
| 1221 | |||
| 1222 | ! Local variables | ||
| 1223 | character(128) :: tp, z_name, weight_name, z_transpose | ||
| 1224 | character(128) :: matmul_out, softmax_out, axis1_name | ||
| 1225 | character(len=*), parameter :: onnx_softmax_axis0_attr = & | ||
| 1226 | ' "attribute": [{"name": "axis", "i": "0", "type": "INT"}]' | ||
| 1227 | character(len=*), parameter :: onnx_transpose_10_attr = & | ||
| 1228 | ' "attribute": [{"name": "perm", "ints": ["1", "0"], ' // & | ||
| 1229 | '"type": "INTS"}]' | ||
| 1230 | character(len=*), parameter :: onnx_reduce_sum_attr = & | ||
| 1231 | ' "attribute": [{"name": "keepdims", "i": "0", ' // & | ||
| 1232 | '"type": "INT"}]' | ||
| 1233 | |||
| 1234 |
1/2✓ Branch 3 taken 2 times.
✗ Branch 4 not taken.
|
2 | write(tp, '(A,"_ro_t",I0)') trim(prefix), t |
| 1235 | call get_timestep_output_name( & | ||
| 1236 | 2 | prefix, t, activation_name, '_sq_out', '_sq', z_name) | |
| 1237 | |||
| 1238 | ! Store the readout matrix for timestep t as an ONNX initialiser. | ||
| 1239 |
1/2✓ Branch 3 taken 2 times.
✗ Branch 4 not taken.
|
2 | write(weight_name, '(A,"_R")') trim(tp) |
| 1240 | call emit_weight_initialiser_2d( & | ||
| 1241 |
7/14✗ Branch 1 not taken.
✓ Branch 2 taken 2 times.
✗ Branch 4 not taken.
✓ Branch 5 taken 2 times.
✗ Branch 7 not taken.
✓ Branch 8 taken 2 times.
✗ Branch 10 not taken.
✓ Branch 11 taken 2 times.
✗ Branch 13 not taken.
✓ Branch 14 taken 2 times.
✗ Branch 16 not taken.
✓ Branch 17 taken 2 times.
✓ Branch 20 taken 2 times.
✗ Branch 21 not taken.
|
2 | trim(weight_name), no, nv, weight_data, inits, num_inits) |
| 1242 | |||
| 1243 | ! Transpose node features before multiplying by the readout matrix. | ||
| 1244 |
1/2✓ Branch 3 taken 2 times.
✗ Branch 4 not taken.
|
2 | write(z_transpose, '(A,"_zt")') trim(tp) |
| 1245 | call emit_node('Transpose', trim(tp)//'_transpose_z', & | ||
| 1246 | ✗ | trim(z_transpose), onnx_transpose_10_attr, nodes, num_nodes, & | |
| 1247 |
6/12✓ Branch 2 taken 2 times.
✗ Branch 3 not taken.
✗ Branch 5 not taken.
✓ Branch 6 taken 2 times.
✗ Branch 7 not taken.
✓ Branch 8 taken 2 times.
✗ Branch 9 not taken.
✓ Branch 10 taken 2 times.
✓ Branch 13 taken 2 times.
✗ Branch 14 not taken.
✓ Branch 15 taken 2 times.
✗ Branch 16 not taken.
|
2 | in1=trim(z_name)) |
| 1248 | |||
| 1249 |
1/2✓ Branch 3 taken 2 times.
✗ Branch 4 not taken.
|
2 | write(matmul_out, '(A,"_Rz")') trim(tp) |
| 1250 | call emit_node('MatMul', trim(tp)//'_matmul_R', & | ||
| 1251 | ✗ | trim(matmul_out), '', nodes, num_nodes, & | |
| 1252 |
7/14✓ Branch 2 taken 2 times.
✗ Branch 3 not taken.
✗ Branch 5 not taken.
✓ Branch 6 taken 2 times.
✗ Branch 7 not taken.
✓ Branch 8 taken 2 times.
✗ Branch 9 not taken.
✓ Branch 10 taken 2 times.
✓ Branch 14 taken 2 times.
✗ Branch 15 not taken.
✓ Branch 16 taken 2 times.
✗ Branch 17 not taken.
✓ Branch 18 taken 2 times.
✗ Branch 19 not taken.
|
2 | in1=trim(weight_name), in2=trim(z_transpose)) |
| 1253 | |||
| 1254 | ! Softmax and ReduceSum reproduce the ATHENA readout accumulation. | ||
| 1255 |
1/2✓ Branch 3 taken 2 times.
✗ Branch 4 not taken.
|
2 | write(softmax_out, '(A,"_sm")') trim(tp) |
| 1256 | call emit_node('Softmax', trim(tp)//'_softmax', & | ||
| 1257 | ✗ | trim(softmax_out), onnx_softmax_axis0_attr, nodes, num_nodes, & | |
| 1258 |
6/12✓ Branch 2 taken 2 times.
✗ Branch 3 not taken.
✗ Branch 5 not taken.
✓ Branch 6 taken 2 times.
✗ Branch 7 not taken.
✓ Branch 8 taken 2 times.
✗ Branch 9 not taken.
✓ Branch 10 taken 2 times.
✓ Branch 13 taken 2 times.
✗ Branch 14 not taken.
✓ Branch 15 taken 2 times.
✗ Branch 16 not taken.
|
2 | in1=trim(matmul_out)) |
| 1259 | |||
| 1260 |
1/2✓ Branch 3 taken 2 times.
✗ Branch 4 not taken.
|
2 | write(axis1_name, '(A,"_ax1")') trim(tp) |
| 1261 | call emit_constant_int64(trim(axis1_name), [1], [1], & | ||
| 1262 |
7/14✗ Branch 1 not taken.
✓ Branch 2 taken 2 times.
✗ Branch 4 not taken.
✓ Branch 5 taken 2 times.
✗ Branch 7 not taken.
✓ Branch 8 taken 2 times.
✗ Branch 10 not taken.
✓ Branch 11 taken 2 times.
✗ Branch 13 not taken.
✓ Branch 14 taken 2 times.
✗ Branch 16 not taken.
✓ Branch 17 taken 2 times.
✓ Branch 20 taken 2 times.
✗ Branch 21 not taken.
|
2 | nodes, num_nodes, inits, num_inits) |
| 1263 | |||
| 1264 |
1/2✓ Branch 3 taken 2 times.
✗ Branch 4 not taken.
|
2 | write(step_sum, '(A,"_sum")') trim(tp) |
| 1265 | call emit_node('ReduceSum', trim(tp)//'_reducesum', & | ||
| 1266 | ✗ | trim(step_sum), onnx_reduce_sum_attr, nodes, num_nodes, & | |
| 1267 |
7/14✓ Branch 2 taken 2 times.
✗ Branch 3 not taken.
✗ Branch 5 not taken.
✓ Branch 6 taken 2 times.
✗ Branch 7 not taken.
✓ Branch 8 taken 2 times.
✗ Branch 9 not taken.
✓ Branch 10 taken 2 times.
✓ Branch 14 taken 2 times.
✗ Branch 15 not taken.
✓ Branch 16 taken 2 times.
✗ Branch 17 not taken.
✓ Branch 18 taken 2 times.
✗ Branch 19 not taken.
|
2 | in1=trim(softmax_out), in2=trim(axis1_name)) |
| 1268 | |||
| 1269 |
1/2✓ Branch 0 taken 2 times.
✗ Branch 1 not taken.
|
2 | end subroutine emit_duvenaud_readout_step |
| 1270 | !############################################################################### | ||
| 1271 | |||
| 1272 | |||
| 1273 | !############################################################################### | ||
| 1274 | 1 | subroutine emit_duvenaud_readout_impl( & | |
| 1275 | prefix, layer, & | ||
| 1276 | 1 | nodes, num_nodes, max_nodes, & | |
| 1277 |
1/2✓ Branch 0 taken 1 times.
✗ Branch 1 not taken.
|
1 | inits, num_inits, max_inits, & |
| 1278 |
1/2✗ Branch 0 not taken.
✓ Branch 1 taken 1 times.
|
1 | readout_output & |
| 1279 | ) | ||
| 1280 | !! Emit ONNX nodes for Duvenaud readout | ||
| 1281 | use athena__onnx_utils, only: emit_node, emit_constant_int64 | ||
| 1282 | implicit none | ||
| 1283 | character(*), intent(in) :: prefix | ||
| 1284 | class(duvenaud_msgpass_layer_type), intent(in) :: layer | ||
| 1285 | type(onnx_node_type), intent(inout), dimension(:) :: nodes | ||
| 1286 | integer, intent(inout) :: num_nodes | ||
| 1287 | integer, intent(in) :: max_nodes | ||
| 1288 | type(onnx_initialiser_type), intent(inout), dimension(:) :: inits | ||
| 1289 | integer, intent(inout) :: num_inits | ||
| 1290 | integer, intent(in) :: max_inits | ||
| 1291 | character(128), intent(out) :: readout_output | ||
| 1292 | |||
| 1293 | ! Local variables | ||
| 1294 | integer :: t | ||
| 1295 | character(128) :: tmp1, prev_accum, step_sum | ||
| 1296 | |||
| 1297 |
2/2✓ Branch 0 taken 2 times.
✓ Branch 1 taken 1 times.
|
3 | do t = 1, layer%num_time_steps |
| 1298 | call emit_duvenaud_readout_step( & | ||
| 1299 | prefix, layer%activation%name, t, & | ||
| 1300 | 4 | layer%num_vertex_features(t), layer%num_outputs, & | |
| 1301 | 20 | layer%params(t + layer%num_time_steps)%val(:,1), & | |
| 1302 |
18/36✗ Branch 0 not taken.
✓ Branch 1 taken 2 times.
✗ Branch 3 not taken.
✓ Branch 4 taken 2 times.
✗ Branch 6 not taken.
✓ Branch 7 taken 2 times.
✗ Branch 9 not taken.
✓ Branch 10 taken 2 times.
✗ Branch 12 not taken.
✓ Branch 13 taken 2 times.
✗ Branch 15 not taken.
✓ Branch 16 taken 2 times.
✗ Branch 18 not taken.
✓ Branch 19 taken 2 times.
✗ Branch 21 not taken.
✓ Branch 22 taken 2 times.
✗ Branch 24 not taken.
✓ Branch 25 taken 2 times.
✗ Branch 27 not taken.
✓ Branch 28 taken 2 times.
✗ Branch 30 not taken.
✓ Branch 31 taken 2 times.
✗ Branch 33 not taken.
✓ Branch 34 taken 2 times.
✗ Branch 36 not taken.
✓ Branch 37 taken 2 times.
✗ Branch 39 not taken.
✓ Branch 40 taken 2 times.
✗ Branch 42 not taken.
✓ Branch 43 taken 2 times.
✗ Branch 45 not taken.
✓ Branch 46 taken 2 times.
✗ Branch 48 not taken.
✓ Branch 49 taken 2 times.
✗ Branch 51 not taken.
✓ Branch 52 taken 2 times.
|
2 | nodes, num_nodes, inits, num_inits, step_sum) |
| 1303 | |||
| 1304 | ! Accumulate across timesteps | ||
| 1305 |
2/2✓ Branch 0 taken 1 times.
✓ Branch 1 taken 1 times.
|
3 | if(t .eq. 1)then |
| 1306 |
2/4✓ Branch 1 taken 1 times.
✗ Branch 2 not taken.
✓ Branch 3 taken 1 times.
✗ Branch 4 not taken.
|
1 | prev_accum = trim(step_sum) |
| 1307 | else | ||
| 1308 |
1/2✓ Branch 3 taken 1 times.
✗ Branch 4 not taken.
|
1 | write(tmp1, '(A,"_ro_t",I0,"_accum")') trim(prefix), t |
| 1309 | call emit_node('Add', trim(tmp1)//'_node', & | ||
| 1310 | ✗ | trim(tmp1), '', nodes, num_nodes, & | |
| 1311 |
7/14✓ Branch 2 taken 1 times.
✗ Branch 3 not taken.
✗ Branch 5 not taken.
✓ Branch 6 taken 1 times.
✗ Branch 7 not taken.
✓ Branch 8 taken 1 times.
✗ Branch 9 not taken.
✓ Branch 10 taken 1 times.
✓ Branch 14 taken 1 times.
✗ Branch 15 not taken.
✓ Branch 16 taken 1 times.
✗ Branch 17 not taken.
✓ Branch 18 taken 1 times.
✗ Branch 19 not taken.
|
1 | in1=trim(prev_accum), in2=trim(step_sum)) |
| 1312 |
2/4✓ Branch 1 taken 1 times.
✗ Branch 2 not taken.
✓ Branch 3 taken 1 times.
✗ Branch 4 not taken.
|
1 | prev_accum = trim(tmp1) |
| 1313 | end if | ||
| 1314 | end do | ||
| 1315 | |||
| 1316 | ! Unsqueeze to add batch dimension: [no] → [1, no] | ||
| 1317 |
1/2✓ Branch 3 taken 1 times.
✗ Branch 4 not taken.
|
1 | write(tmp1, '(A,"_ro_ax0")') trim(prefix) |
| 1318 | call emit_constant_int64(trim(tmp1), [0], [1], & | ||
| 1319 |
7/14✗ Branch 1 not taken.
✓ Branch 2 taken 1 times.
✗ Branch 4 not taken.
✓ Branch 5 taken 1 times.
✗ Branch 7 not taken.
✓ Branch 8 taken 1 times.
✗ Branch 10 not taken.
✓ Branch 11 taken 1 times.
✗ Branch 13 not taken.
✓ Branch 14 taken 1 times.
✗ Branch 16 not taken.
✓ Branch 17 taken 1 times.
✓ Branch 20 taken 1 times.
✗ Branch 21 not taken.
|
1 | nodes, num_nodes, inits, num_inits) |
| 1320 |
1/2✓ Branch 3 taken 1 times.
✗ Branch 4 not taken.
|
1 | write(readout_output, '(A,"_readout")') trim(prefix) |
| 1321 | call emit_node('Unsqueeze', trim(prefix)//'_us_readout', & | ||
| 1322 | ✗ | trim(readout_output), '', nodes, num_nodes, & | |
| 1323 |
7/14✓ Branch 2 taken 1 times.
✗ Branch 3 not taken.
✗ Branch 5 not taken.
✓ Branch 6 taken 1 times.
✗ Branch 7 not taken.
✓ Branch 8 taken 1 times.
✗ Branch 9 not taken.
✓ Branch 10 taken 1 times.
✓ Branch 14 taken 1 times.
✗ Branch 15 not taken.
✓ Branch 16 taken 1 times.
✗ Branch 17 not taken.
✓ Branch 18 taken 1 times.
✗ Branch 19 not taken.
|
1 | in1=trim(prev_accum), in2=trim(tmp1)) |
| 1324 | |||
| 1325 |
1/2✓ Branch 0 taken 1 times.
✗ Branch 1 not taken.
|
1 | end subroutine emit_duvenaud_readout_impl |
| 1326 | !############################################################################### | ||
| 1327 | |||
| 1328 |
94/185✓ Branch 0 taken 17 times.
✓ Branch 1 taken 18 times.
✓ Branch 2 taken 17 times.
✗ Branch 3 not taken.
✓ Branch 4 taken 18 times.
✓ Branch 5 taken 17 times.
✗ Branch 6 not taken.
✗ Branch 7 not taken.
✗ Branch 8 not taken.
✗ Branch 9 not taken.
✗ Branch 10 not taken.
✗ Branch 11 not taken.
✗ Branch 12 not taken.
✗ Branch 13 not taken.
✗ Branch 14 not taken.
✗ Branch 15 not taken.
✗ Branch 16 not taken.
✗ Branch 17 not taken.
✗ Branch 18 not taken.
✗ Branch 19 not taken.
✗ Branch 20 not taken.
✗ Branch 21 not taken.
✗ Branch 22 not taken.
✗ Branch 23 not taken.
✗ Branch 24 not taken.
✗ Branch 25 not taken.
✗ Branch 26 not taken.
✗ Branch 27 not taken.
✗ Branch 28 not taken.
✗ Branch 29 not taken.
✗ Branch 30 not taken.
✗ Branch 31 not taken.
✗ Branch 32 not taken.
✗ Branch 33 not taken.
✗ Branch 34 not taken.
✗ Branch 35 not taken.
✓ Branch 36 taken 17 times.
✗ Branch 37 not taken.
✗ Branch 38 not taken.
✓ Branch 39 taken 17 times.
✓ Branch 40 taken 18 times.
✗ Branch 41 not taken.
✓ Branch 42 taken 17 times.
✓ Branch 43 taken 18 times.
✓ Branch 44 taken 17 times.
✓ Branch 45 taken 35 times.
✗ Branch 46 not taken.
✓ Branch 47 taken 17 times.
✓ Branch 48 taken 18 times.
✓ Branch 49 taken 35 times.
✗ Branch 50 not taken.
✓ Branch 51 taken 35 times.
✗ Branch 52 not taken.
✗ Branch 53 not taken.
✓ Branch 54 taken 17 times.
✓ Branch 55 taken 17 times.
✗ Branch 56 not taken.
✓ Branch 57 taken 62 times.
✓ Branch 58 taken 17 times.
✓ Branch 59 taken 62 times.
✗ Branch 60 not taken.
✓ Branch 61 taken 62 times.
✗ Branch 62 not taken.
✓ Branch 63 taken 31 times.
✓ Branch 64 taken 31 times.
✗ Branch 65 not taken.
✓ Branch 66 taken 62 times.
✗ Branch 67 not taken.
✓ Branch 68 taken 62 times.
✗ Branch 69 not taken.
✓ Branch 70 taken 80 times.
✓ Branch 71 taken 17 times.
✓ Branch 72 taken 2 times.
✓ Branch 73 taken 16 times.
✓ Branch 74 taken 18 times.
✓ Branch 75 taken 17 times.
✓ Branch 76 taken 1 times.
✓ Branch 77 taken 34 times.
✓ Branch 78 taken 1 times.
✓ Branch 79 taken 1 times.
✓ Branch 80 taken 17 times.
✓ Branch 81 taken 1 times.
✓ Branch 82 taken 17 times.
✓ Branch 83 taken 1 times.
✓ Branch 84 taken 17 times.
✓ Branch 85 taken 1 times.
✓ Branch 86 taken 18 times.
✗ Branch 87 not taken.
✓ Branch 88 taken 1 times.
✗ Branch 89 not taken.
✓ Branch 90 taken 18 times.
✗ Branch 91 not taken.
✗ Branch 92 not taken.
✓ Branch 93 taken 1 times.
✗ Branch 94 not taken.
✓ Branch 95 taken 1 times.
✗ Branch 96 not taken.
✓ Branch 97 taken 1 times.
✗ Branch 98 not taken.
✗ Branch 99 not taken.
✗ Branch 100 not taken.
✗ Branch 101 not taken.
✗ Branch 102 not taken.
✗ Branch 103 not taken.
✗ Branch 104 not taken.
✓ Branch 105 taken 1 times.
✓ Branch 106 taken 17 times.
✗ Branch 107 not taken.
✗ Branch 108 not taken.
✗ Branch 109 not taken.
✗ Branch 110 not taken.
✗ Branch 111 not taken.
✓ Branch 112 taken 17 times.
✓ Branch 113 taken 1 times.
✓ Branch 114 taken 18 times.
✗ Branch 115 not taken.
✓ Branch 116 taken 18 times.
✗ Branch 117 not taken.
✗ Branch 118 not taken.
✗ Branch 119 not taken.
✗ Branch 120 not taken.
✓ Branch 121 taken 18 times.
✗ Branch 122 not taken.
✓ Branch 123 taken 18 times.
✗ Branch 124 not taken.
✓ Branch 125 taken 18 times.
✗ Branch 126 not taken.
✓ Branch 127 taken 18 times.
✗ Branch 128 not taken.
✓ Branch 129 taken 18 times.
✗ Branch 130 not taken.
✓ Branch 131 taken 2 times.
✓ Branch 132 taken 16 times.
✓ Branch 133 taken 18 times.
✗ Branch 134 not taken.
✓ Branch 135 taken 18 times.
✗ Branch 136 not taken.
✓ Branch 137 taken 18 times.
✗ Branch 138 not taken.
✓ Branch 139 taken 2 times.
✓ Branch 140 taken 16 times.
✓ Branch 142 taken 18 times.
✗ Branch 143 not taken.
✓ Branch 144 taken 2 times.
✓ Branch 145 taken 16 times.
✗ Branch 146 not taken.
✓ Branch 147 taken 16 times.
✓ Branch 149 taken 18 times.
✗ Branch 150 not taken.
✓ Branch 151 taken 18 times.
✗ Branch 152 not taken.
✗ Branch 153 not taken.
✗ Branch 154 not taken.
✓ Branch 156 taken 18 times.
✗ Branch 157 not taken.
✓ Branch 158 taken 2 times.
✓ Branch 159 taken 16 times.
✗ Branch 160 not taken.
✓ Branch 161 taken 16 times.
✓ Branch 163 taken 18 times.
✗ Branch 164 not taken.
✓ Branch 165 taken 2 times.
✓ Branch 166 taken 16 times.
✓ Branch 167 taken 18 times.
✗ Branch 168 not taken.
✓ Branch 169 taken 2 times.
✓ Branch 170 taken 16 times.
✓ Branch 171 taken 18 times.
✗ Branch 172 not taken.
✓ Branch 173 taken 2 times.
✓ Branch 174 taken 16 times.
✓ Branch 175 taken 18 times.
✗ Branch 176 not taken.
✓ Branch 177 taken 2 times.
✓ Branch 178 taken 16 times.
✗ Branch 179 not taken.
✓ Branch 180 taken 16 times.
✓ Branch 182 taken 18 times.
✗ Branch 183 not taken.
✓ Branch 184 taken 17 times.
✓ Branch 185 taken 1 times.
✓ Branch 187 taken 18 times.
✗ Branch 188 not taken.
✓ Branch 189 taken 18 times.
✗ Branch 190 not taken.
|
334 | end module athena__duvenaud_msgpass_layer |
| 1329 |