athena__msgpass_layer Module

Module containing the types and interfaces of a message passing layer


Uses

Used by


Interfaces

public interface msgpass_layer_type

Interface for setting up the MPNN layer

  • private module function layer_setup(num_features, num_time_steps, verbose) result(layer)

    Set up the MPNN layer

    Arguments

    Type IntentOptional Attributes Name
    integer, intent(in), dimension(2) :: num_features

    MAKE THESE ASSUMED RANK ! MAKE THESE ASSUMED RANK Number of features
    integer, intent(in) :: num_time_steps

    Number of time steps
    integer, intent(in), optional :: verbose

    Verbosity level

    Return Value class(msgpass_layer_type), allocatable

    Instance of the message passing layer

interface

  • private module subroutine forward_msgpass(this, input)

    Forward pass for the message passing layer

    Arguments

    Type IntentOptional Attributes Name
    class(msgpass_layer_type), intent(inout) :: this

    Instance of the layer type
    class(array_type), intent(in), dimension(:,:) :: input

    Input data (i.e. vertex and edge features)

interface

Interfaces for handling learnable parameters and gradients

  • private pure module function get_num_params_msgpass(this) result(num_params)

    Get the number of learnable parameters for the message passing layer

    Arguments

    Type IntentOptional Attributes Name
    class(msgpass_layer_type), intent(in) :: this

    Instance of the message passing layer

    Return Value integer

    Number of learnable parameters

interface

Interfaces for handling graphs and outputs, and initialising the layer

  • private module subroutine init_msgpass(this, input_shape, verbose)

    Initialise the message passing layer

    Arguments

    Type IntentOptional Attributes Name
    class(msgpass_layer_type), intent(inout) :: this

    Instance of the message passing layer
    integer, intent(in), dimension(:) :: input_shape

    Input shape
    integer, intent(in), optional :: verbose

    Verbosity level

interface

Interfaces for handling learnable parameters and gradients

  • private module subroutine set_graph_msgpass(this, graph)

    Set the graph structure of the input data

    Arguments

    Type IntentOptional Attributes Name
    class(msgpass_layer_type), intent(inout) :: this

    Instance of the layer
    type(graph_type), intent(in), dimension(:) :: graph

    Graph structure of input data

interface

interface for the message forward and backward passes

  • private module subroutine update_message_msgpass(this, input)

    Update the message

    Arguments

    Type IntentOptional Attributes Name
    class(msgpass_layer_type), intent(inout), target :: this

    Instance of the message passing layer
    class(array_type), intent(in), dimension(:,:), target :: input

    Input data (i.e. vertex and edge features)

interface

interface for the readout forward and backward passes

  • private module subroutine update_readout_msgpass(this)

    Update the message

    Arguments

    Type IntentOptional Attributes Name
    class(msgpass_layer_type), intent(inout), target :: this

    Instance of the message passing layer

Derived Types

type, public, abstract, extends(learnable_layer_type) ::  msgpass_layer_type

Type for message passing layer with overloaded procedures

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Components

Type Visibility Attributes Name Initial
class(base_actv_type), public, allocatable :: activation

Activation function
class(base_init_type), public, allocatable :: bias_init

Initialisers for kernel and bias
character(len=14), public :: bias_initialiser = ''

Initialisers for kernel and bias
integer, public, allocatable, dimension(:) :: bias_shape

Shape of biases
type(graph_type), public, allocatable, dimension(:) :: graph

Graph structure of input data
integer, public :: id

Unique identifier
logical, public :: inference = .false.

Inference mode
integer, public :: input_rank = 0

Rank of input data
integer, public, allocatable, dimension(:) :: input_shape

Input shape
class(base_init_type), public, allocatable :: kernel_init

Initialisers for kernel and bias
character(len=14), public :: kernel_initialiser = ''

Initialisers for kernel and bias
character(len=:), public, allocatable :: name

Layer name
integer, public, dimension(:), allocatable :: num_edge_features

Number of edge features for each time step
integer, public :: num_output_edge_features

Number of output edge features
integer, public :: num_output_vertex_features

Number of output vertex features
integer, public :: num_outputs

Number of outputs (if output is not graph structure)
integer, public :: num_params = 0

Number of learnable parameters
integer, public, dimension(:), allocatable :: num_params_msg

Number of learnable parameters for each message
integer, public :: num_params_readout

Number of learnable parameters for the readout
integer, public :: num_time_steps

Number of time steps
integer, public, dimension(:), allocatable :: num_vertex_features

Number of vertex features for each time step
class(array_type), public, allocatable, dimension(:,:) :: output

Output
integer, public :: output_rank = 0

Rank of output data
integer, public, allocatable, dimension(:) :: output_shape

Output shape
type(array_type), public, allocatable, dimension(:) :: params

Learnable parameters
character(len=20), public :: subtype = repeat(" ", 20)
character(len=4), public :: type = 'base'

Layer type
logical, public :: use_bias = .false.

Layer has bias
logical, public :: use_graph_input = .false.

Use graph input
logical, public :: use_graph_output = .false.

Use graph output
integer, public, allocatable, dimension(:,:) :: weight_shape

Shape of weights

Constructor

Interface for setting up the MPNN layer

private module function layer_setup (num_features, num_time_steps, verbose)

Set up the MPNN layer

Type-Bound Procedures

procedure, public :: add_t_t => add_learnable

Add two layers
procedure, public, pass(this) :: build_from_onnx => build_from_onnx_base

Build layer from ONNX node and initialiser
procedure, public, pass(this) :: emit_onnx_graph_inputs => emit_onnx_graph_inputs_base

Emit graph input tensor declarations for this layer
procedure, public, pass(this) :: emit_onnx_nodes => emit_onnx_nodes_base

Emit ONNX JSON nodes for this layer (format-aware and polymorphic)
procedure, public, pass(this) :: extract_output => extract_output_base

Extract the output of the layer as a standard real array
procedure, public, pass(this) :: forward => forward_msgpass

Forward pass for message passing layer
procedure, public, pass(this) :: forward_eval => forward_eval_base

Forward pass of layer and return output for evaluation
procedure, public, pass(this) :: get_attributes => get_attributes_base

Get the attributes of the layer (for ONNX export)
procedure, public, pass(this) :: get_gradients

Get parameter gradients of layer
procedure, public, pass(this) :: get_num_params => get_num_params_msgpass

Get the number of learnable parameters for message passing layer
procedure, public, pass(this) :: get_params

Get learnable parameters of layer
procedure, public, pass(this) :: init => init_msgpass

Initialise message passing layer
procedure, public, pass(this) :: nullify_graph => nullify_graph_base

Nullify the forward pass data of the layer to free memory

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generic, public :: operator(+) => add_t_t

Operator overloading for addition
procedure, public, pass(this) :: print => print_base

Print the layer to a file with additional information
procedure, public, pass(this) :: print_to_unit => print_to_unit_base

Print the layer to a unit
procedure(read_layer), public, deferred, pass(this) :: read

Read layer from file
procedure, public, pass(this) :: reduce => reduce_learnable

Merge another learnable layer into this one
procedure, public, pass(this) :: set_gradients

Set learnable parameters of layer
procedure, public, pass(this) :: set_graph => set_graph_msgpass
procedure, public, pass(this) :: set_params

Set learnable parameters of layer
procedure, public, pass(this) :: set_rank => set_rank_base

Set the input and output ranks of the layer
procedure, public, pass(this) :: set_shape => set_shape_base

Set the input shape of the layer
procedure(update_message_msgpass), public, deferred, pass(this) :: update_message

Update the message
procedure(update_readout_msgpass), public, deferred, pass(this) :: update_readout

Update the readout