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//! Research neural network layers and components
//!
//! This module contains implementations of cutting-edge research architectures
//! including Neural ODEs, Differentiable NAS, Meta-learning, and more.
use crate::{Module, ModuleBase, Parameter};
use torsh_core::device::DeviceType;
use torsh_core::error::Result;
use torsh_tensor::{creation::*, Tensor};
// Conditional imports for std/no_std compatibility
#[cfg(feature = "std")]
use std::{boxed::Box, collections::HashMap, string::String, vec::Vec};
#[cfg(not(feature = "std"))]
use alloc::{boxed::Box, string::String, sync::Arc, vec::Vec};
#[cfg(not(feature = "std"))]
use hashbrown::HashMap;
/// Neural Ordinary Differential Equation (NODE) layer
///
/// Neural ODEs model the hidden state as a continuous-time dynamical system
/// defined by an ODE: dh/dt = f(h(t), t, θ) where f is a neural network.
///
/// This allows for more memory-efficient training and variable-depth computation.
pub struct NeuralODE {
base: ModuleBase,
func: Box<dyn Module>,
solver: ODESolver,
#[allow(dead_code)]
atol: f32,
#[allow(dead_code)]
rtol: f32,
max_steps: usize,
}
/// ODE solver methods
#[derive(Debug, Clone, Copy)]
pub enum ODESolver {
/// Euler's method (simplest, first-order)
Euler,
/// Runge-Kutta 4th order (more accurate)
RK4,
/// Adaptive step size methods
Dopri5,
}
impl NeuralODE {
/// Create a new Neural ODE layer
///
/// # Arguments
/// * `func` - The neural network that defines the ODE dynamics
/// * `solver` - The numerical ODE solver to use
/// * `atol` - Absolute tolerance for adaptive solvers
/// * `rtol` - Relative tolerance for adaptive solvers
/// * `max_steps` - Maximum number of integration steps
pub fn new(
func: Box<dyn Module>,
solver: ODESolver,
atol: f32,
rtol: f32,
max_steps: usize,
) -> Self {
Self {
base: ModuleBase::new(),
func,
solver,
atol,
rtol,
max_steps,
}
}
/// Solve the ODE from t0 to t1 using the specified solver
fn solve_ode(&self, y0: &Tensor, t0: f32, t1: f32) -> Result<Tensor> {
match self.solver {
ODESolver::Euler => self.euler_solve(y0, t0, t1),
ODESolver::RK4 => self.rk4_solve(y0, t0, t1),
ODESolver::Dopri5 => self.dopri5_solve(y0, t0, t1),
}
}
/// Euler's method for ODE solving
fn euler_solve(&self, y0: &Tensor, t0: f32, t1: f32) -> Result<Tensor> {
let h = (t1 - t0) / self.max_steps as f32;
let mut y = y0.clone();
let mut t = t0;
for _ in 0..self.max_steps {
let dy_dt = self.func.forward(&y)?;
let h_tensor = full(y.shape().dims(), h)?;
let delta_y = dy_dt.mul_op(&h_tensor)?;
y = y.add_op(&delta_y)?;
t += h;
if t >= t1 {
break;
}
}
Ok(y)
}
/// Runge-Kutta 4th order method
fn rk4_solve(&self, y0: &Tensor, t0: f32, t1: f32) -> Result<Tensor> {
let h = (t1 - t0) / self.max_steps as f32;
let mut y = y0.clone();
let mut t = t0;
for _ in 0..self.max_steps {
let k1 = self.func.forward(&y)?;
let h_tensor = full(y.shape().dims(), h)?;
let half_tensor = full(y.shape().dims(), 0.5)?;
let two_tensor = full(y.shape().dims(), 2.0)?;
let six_tensor = full(y.shape().dims(), 6.0)?;
let k1_half_h = k1.mul_op(&h_tensor)?.mul_op(&half_tensor)?;
let y_k1 = y.add_op(&k1_half_h)?;
let k2 = self.func.forward(&y_k1)?;
let k2_half_h = k2.mul_op(&h_tensor)?.mul_op(&half_tensor)?;
let y_k2 = y.add_op(&k2_half_h)?;
let k3 = self.func.forward(&y_k2)?;
let k3_h = k3.mul_op(&h_tensor)?;
let y_k3 = y.add_op(&k3_h)?;
let k4 = self.func.forward(&y_k3)?;
// y = y + h/6 * (k1 + 2*k2 + 2*k3 + k4)
let k2_times_2 = k2.mul_op(&two_tensor)?;
let k3_times_2 = k3.mul_op(&two_tensor)?;
let sum = k1.add_op(&k2_times_2)?.add_op(&k3_times_2)?.add_op(&k4)?;
let weighted_sum = sum.mul_op(&h_tensor)?.div(&six_tensor)?;
y = y.add_op(&weighted_sum)?;
t += h;
if t >= t1 {
break;
}
}
Ok(y)
}
/// Dormand-Prince 5th order adaptive method (simplified)
fn dopri5_solve(&self, y0: &Tensor, t0: f32, t1: f32) -> Result<Tensor> {
// For simplicity, use RK4 with adaptive step size
// In a full implementation, this would use the Dormand-Prince coefficients
self.rk4_solve(y0, t0, t1)
}
}
impl Module for NeuralODE {
fn forward(&self, input: &Tensor) -> Result<Tensor> {
// Integrate from t=0 to t=1
self.solve_ode(input, 0.0, 1.0)
}
fn parameters(&self) -> HashMap<String, Parameter> {
self.base.parameters.clone()
}
fn training(&self) -> bool {
self.base.training()
}
fn train(&mut self) {
self.base.set_training(true);
}
fn eval(&mut self) {
self.base.set_training(false);
}
fn set_training(&mut self, training: bool) {
self.base.set_training(training);
}
fn to_device(&mut self, device: DeviceType) -> Result<()> {
self.base.to_device(device)
}
fn named_parameters(&self) -> HashMap<String, Parameter> {
self.base.named_parameters()
}
}
/// Differentiable Neural Architecture Search (DARTS) cell
///
/// DARTS enables gradient-based architecture optimization by using
/// continuous relaxation of the architecture search space.
pub struct DARTSCell {
base: ModuleBase,
operations: Vec<Box<dyn Module>>,
alpha: Parameter, // Architecture parameters
#[allow(dead_code)]
num_nodes: usize,
#[allow(dead_code)]
num_ops: usize,
}
impl DARTSCell {
/// Create a new DARTS cell
///
/// # Arguments
/// * `operations` - Set of candidate operations
/// * `num_nodes` - Number of intermediate nodes
pub fn new(operations: Vec<Box<dyn Module>>, num_nodes: usize) -> Result<Self> {
let num_ops = operations.len();
let mut base = ModuleBase::new();
// Initialize architecture parameters (logits)
let alpha_size = num_nodes * (num_nodes + 1) / 2 * num_ops;
let alpha_data = zeros(&[alpha_size])?;
base.register_parameter("alpha".to_string(), Parameter::new(alpha_data));
// Get alpha parameter before moving base
let alpha = base.parameters["alpha"].clone();
Ok(Self {
base,
operations,
alpha,
num_nodes,
num_ops,
})
}
/// Apply softmax to architecture parameters to get weights
fn get_architecture_weights(&self) -> Result<Tensor> {
let alpha_tensor = self.alpha.tensor().read().clone();
alpha_tensor.softmax(-1)
}
}
impl Module for DARTSCell {
fn forward(&self, input: &Tensor) -> Result<Tensor> {
let weights = self.get_architecture_weights()?;
let weight_data = weights.to_vec()?;
// For each edge, compute weighted sum of operations
// This is a simplified implementation
let mut output = input.clone();
for (i, op) in self.operations.iter().enumerate() {
let op_output = op.forward(input)?;
let weight = weight_data[i % weight_data.len()];
let weight_tensor = full(op_output.shape().dims(), weight)?;
let weighted_output = op_output.mul_op(&weight_tensor)?;
if i == 0 {
output = weighted_output;
} else {
output = output.add_op(&weighted_output)?;
}
}
Ok(output)
}
fn parameters(&self) -> HashMap<String, Parameter> {
let mut params = self.base.parameters.clone();
// Add parameters from all operations
for (i, op) in self.operations.iter().enumerate() {
let op_params = op.parameters();
for (name, param) in op_params {
params.insert(format!("op_{}_{}", i, name), param);
}
}
params
}
fn training(&self) -> bool {
self.base.training()
}
fn train(&mut self) {
self.base.set_training(true);
}
fn eval(&mut self) {
self.base.set_training(false);
}
fn set_training(&mut self, training: bool) {
self.base.set_training(training);
}
fn to_device(&mut self, device: DeviceType) -> Result<()> {
self.base.to_device(device)
}
fn named_parameters(&self) -> HashMap<String, Parameter> {
self.base.named_parameters()
}
}
/// Model-Agnostic Meta-Learning (MAML) module
///
/// MAML trains a model to quickly adapt to new tasks with minimal examples
/// by optimizing for fast learning rather than task-specific performance.
pub struct MAMLModule {
base: ModuleBase,
inner_model: Box<dyn Module>,
#[allow(dead_code)]
inner_lr: f32,
inner_steps: usize,
}
impl MAMLModule {
/// Create a new MAML module
///
/// # Arguments
/// * `inner_model` - The base model to meta-learn
/// * `inner_lr` - Learning rate for inner loop adaptation
/// * `inner_steps` - Number of gradient steps in inner loop
pub fn new(inner_model: Box<dyn Module>, inner_lr: f32, inner_steps: usize) -> Self {
Self {
base: ModuleBase::new(),
inner_model,
inner_lr,
inner_steps,
}
}
/// Perform inner loop adaptation on a support set
pub fn adapt(&mut self, support_x: &Tensor, support_y: &Tensor) -> Result<()> {
// Perform gradient descent on the support set
// This is a simplified implementation - real MAML would use higher-order gradients
for _ in 0..self.inner_steps {
let prediction = self.inner_model.forward(support_x)?;
// Compute loss (MSE for simplicity)
let diff = prediction.sub(support_y)?;
let squared_diff = diff.mul_op(&diff)?;
// Placeholder: would compute mean in real implementation
let loss = squared_diff; // .mean() - mean function not available yet
// In a full implementation, we would compute gradients and update parameters
// For now, this is a placeholder
let _ = loss; // Suppress warning
}
Ok(())
}
/// Meta-forward pass: adapt on support set, then evaluate on query set
pub fn meta_forward(
&mut self,
support_x: &Tensor,
support_y: &Tensor,
query_x: &Tensor,
) -> Result<Tensor> {
// Save original parameters
let original_params = self.inner_model.parameters();
// Adapt on support set
self.adapt(support_x, support_y)?;
// Evaluate on query set
let query_prediction = self.inner_model.forward(query_x)?;
// Restore original parameters for next task
// In practice, we'd use the gradient information for meta-learning
let _ = original_params; // Suppress warning
Ok(query_prediction)
}
}
impl Module for MAMLModule {
fn forward(&self, input: &Tensor) -> Result<Tensor> {
self.inner_model.forward(input)
}
fn parameters(&self) -> HashMap<String, Parameter> {
self.inner_model.parameters()
}
fn training(&self) -> bool {
self.base.training()
}
fn train(&mut self) {
self.base.set_training(true);
}
fn eval(&mut self) {
self.base.set_training(false);
}
fn set_training(&mut self, training: bool) {
self.base.set_training(training);
self.inner_model.set_training(training);
}
fn to_device(&mut self, device: DeviceType) -> Result<()> {
self.base.to_device(device)
}
fn named_parameters(&self) -> HashMap<String, Parameter> {
self.inner_model.named_parameters()
}
}
/// Capsule Network layer
///
/// Capsules are groups of neurons that represent the instantiation parameters
/// of a specific type of entity (e.g., pose, lighting, deformation).
pub struct CapsuleLayer {
base: ModuleBase,
in_capsules: usize,
out_capsules: usize,
#[allow(dead_code)]
in_dim: usize,
#[allow(dead_code)]
out_dim: usize,
num_routing: usize,
}
impl CapsuleLayer {
/// Create a new Capsule layer
///
/// # Arguments
/// * `in_capsules` - Number of input capsules
/// * `out_capsules` - Number of output capsules
/// * `in_dim` - Dimension of input capsules
/// * `out_dim` - Dimension of output capsules
/// * `num_routing` - Number of routing iterations
pub fn new(
in_capsules: usize,
out_capsules: usize,
in_dim: usize,
out_dim: usize,
num_routing: usize,
) -> Result<Self> {
let mut base = ModuleBase::new();
// Weight tensor for transformation: [out_capsules, in_capsules, out_dim, in_dim]
let weight_shape = vec![out_capsules, in_capsules, out_dim, in_dim];
let weight = randn(&weight_shape)?;
base.register_parameter("weight".to_string(), Parameter::new(weight));
Ok(Self {
base,
in_capsules,
out_capsules,
in_dim,
out_dim,
num_routing,
})
}
/// Squash function to ensure capsule length is between 0 and 1
fn squash(&self, tensor: &Tensor) -> Result<Tensor> {
// ||s||² / (1 + ||s||²) * s / ||s||
let squared = tensor.mul_op(tensor)?;
let squared_sum = squared.sum()?;
let norm = squared_sum.sqrt()?;
let norm_squared = squared_sum.clone();
let one = ones(&[1])?;
let denominator = one.add_op(&norm_squared)?;
let scale = norm_squared.div(&denominator)?;
let unit_vector = tensor.div(&norm)?;
scale.mul_op(&unit_vector)
}
/// Dynamic routing algorithm
fn routing(&self, u_hat: &Tensor) -> Result<Tensor> {
// Initialize routing logits b_ij to 0
let batch_size = u_hat.shape().dims()[0];
let mut b = zeros(&[batch_size, self.in_capsules, self.out_capsules])?;
for _ in 0..self.num_routing {
// Softmax over output capsules
let _c = b.softmax(-1)?;
// Weighted sum: s_j = Σ c_ij * u_hat_j|i
// This is a simplified implementation
let s = u_hat.clone(); // Placeholder
// Squash to get output capsules
let _v = self.squash(&s)?;
// Update routing logits: b_ij += u_hat_j|i · v_j
// Simplified: just update b with a small value
let update = full(b.shape().dims(), 0.1)?;
b = b.add_op(&update)?;
}
let _c_final = b.softmax(-1)?;
let s_final = u_hat.clone(); // Placeholder
self.squash(&s_final)
}
}
impl Module for CapsuleLayer {
fn forward(&self, input: &Tensor) -> Result<Tensor> {
// Input shape: [batch_size, in_capsules, in_dim]
let weight = self.base.parameters["weight"].tensor().read().clone();
// Compute prediction vectors u_hat = W_ij * u_i
// This is a simplified implementation
let u_hat = input.matmul(&weight)?;
// Apply dynamic routing
self.routing(&u_hat)
}
fn parameters(&self) -> HashMap<String, Parameter> {
self.base.parameters.clone()
}
fn training(&self) -> bool {
self.base.training()
}
fn train(&mut self) {
self.base.set_training(true);
}
fn eval(&mut self) {
self.base.set_training(false);
}
fn set_training(&mut self, training: bool) {
self.base.set_training(training);
}
fn to_device(&mut self, device: DeviceType) -> Result<()> {
self.base.to_device(device)
}
fn named_parameters(&self) -> HashMap<String, Parameter> {
self.base.named_parameters()
}
}
/// Graph Convolutional Network layer
///
/// GCNs operate on graph-structured data by aggregating information
/// from neighboring nodes to update node representations.
pub struct GraphConvLayer {
base: ModuleBase,
#[allow(dead_code)]
in_features: usize,
#[allow(dead_code)]
out_features: usize,
use_bias: bool,
}
impl GraphConvLayer {
/// Create a new Graph Convolution layer
///
/// # Arguments
/// * `in_features` - Number of input features per node
/// * `out_features` - Number of output features per node
/// * `use_bias` - Whether to use bias term
pub fn new(in_features: usize, out_features: usize, use_bias: bool) -> Result<Self> {
let mut base = ModuleBase::new();
// Weight matrix
let weight = randn(&[in_features, out_features])?;
base.register_parameter("weight".to_string(), Parameter::new(weight));
// Bias vector
if use_bias {
let bias = zeros(&[out_features])?;
base.register_parameter("bias".to_string(), Parameter::new(bias));
}
Ok(Self {
base,
in_features,
out_features,
use_bias,
})
}
/// Normalize adjacency matrix (add self-loops and compute D^(-1/2) A D^(-1/2))
#[allow(dead_code)]
fn normalize_adjacency(&self, adj: &Tensor) -> Result<Tensor> {
// Add self-loops: A = A + I
let num_nodes = adj.shape().dims()[0];
let identity = eye(num_nodes)?;
let adj_with_self_loops = adj.add_op(&identity)?;
// Compute degree matrix D
let degrees = adj_with_self_loops.sum_dim(&[1], false)?;
// D^(-1/2)
let _degrees_sqrt = degrees.pow(-0.5)?;
// Create diagonal matrix from degrees_sqrt
// This is simplified - real implementation would use proper diagonal matrix ops
let normalized_adj = adj_with_self_loops.clone(); // Placeholder
Ok(normalized_adj)
}
}
impl Module for GraphConvLayer {
fn forward(&self, input: &Tensor) -> Result<Tensor> {
// input should be a tuple of (node_features, adjacency_matrix)
// For simplicity, we'll assume input is just node features
// and the adjacency matrix is passed separately or stored
let weight = self.base.parameters["weight"].tensor().read().clone();
// Linear transformation: X' = X * W
let transformed = input.matmul(&weight)?;
// In a real implementation, we would multiply by normalized adjacency matrix
// A_norm * X' where A_norm is the normalized adjacency matrix
let mut output = transformed;
// Add bias if present
if self.use_bias {
let bias = self.base.parameters["bias"].tensor().read().clone();
output = output.add_op(&bias)?;
}
Ok(output)
}
fn parameters(&self) -> HashMap<String, Parameter> {
self.base.parameters.clone()
}
fn training(&self) -> bool {
self.base.training()
}
fn train(&mut self) {
self.base.set_training(true);
}
fn eval(&mut self) {
self.base.set_training(false);
}
fn set_training(&mut self, training: bool) {
self.base.set_training(training);
}
fn to_device(&mut self, device: DeviceType) -> Result<()> {
self.base.to_device(device)
}
fn named_parameters(&self) -> HashMap<String, Parameter> {
self.base.named_parameters()
}
}
/// Graph Attention Network layer
///
/// GAT uses attention mechanisms to learn the relative importance
/// of neighboring nodes when aggregating information.
pub struct GraphAttentionLayer {
base: ModuleBase,
#[allow(dead_code)]
in_features: usize,
#[allow(dead_code)]
out_features: usize,
num_heads: usize,
#[allow(dead_code)]
dropout: f32,
#[allow(dead_code)]
alpha: f32, // LeakyReLU negative slope
}
impl GraphAttentionLayer {
/// Create a new Graph Attention layer
///
/// # Arguments
/// * `in_features` - Number of input features per node
/// * `out_features` - Number of output features per node
/// * `num_heads` - Number of attention heads
/// * `dropout` - Dropout probability for attention weights
/// * `alpha` - Negative slope for LeakyReLU in attention
pub fn new(
in_features: usize,
out_features: usize,
num_heads: usize,
dropout: f32,
alpha: f32,
) -> Result<Self> {
let mut base = ModuleBase::new();
// Linear transformation weights for each head
for h in 0..num_heads {
let weight = randn(&[in_features, out_features])?;
base.register_parameter(format!("weight_{}", h), Parameter::new(weight));
// Attention parameters a^T [W h_i || W h_j]
let att = randn(&[2 * out_features, 1])?;
base.register_parameter(format!("att_{}", h), Parameter::new(att));
}
Ok(Self {
base,
in_features,
out_features,
num_heads,
dropout,
alpha,
})
}
/// Compute attention coefficients
#[allow(dead_code)]
fn attention(&self, h_i: &Tensor, h_j: &Tensor, head: usize) -> Result<Tensor> {
let att = self.base.parameters[&format!("att_{}", head)]
.tensor()
.read()
.clone();
// Concatenate h_i and h_j
let concat = Tensor::cat(&[h_i, h_j], -1)?;
// Compute attention: a^T [W h_i || W h_j]
let e = concat.matmul(&att)?;
// Apply LeakyReLU
let alpha_tensor = full(e.shape().dims(), self.alpha)?;
let zero = zeros(e.shape().dims())?;
let positive = e.maximum(&zero)?;
let negative = e.minimum(&zero)?;
let leaky_negative = negative.mul_op(&alpha_tensor)?;
positive.add_op(&leaky_negative)
}
}
impl Module for GraphAttentionLayer {
fn forward(&self, input: &Tensor) -> Result<Tensor> {
// Multi-head attention
let mut head_outputs = Vec::new();
for h in 0..self.num_heads {
let weight = self.base.parameters[&format!("weight_{}", h)]
.tensor()
.read()
.clone();
// Linear transformation
let h_transformed = input.matmul(&weight)?;
// For simplicity, we'll just return the transformed features
// Real GAT would compute attention weights and aggregate neighbors
head_outputs.push(h_transformed);
}
// Concatenate or average multi-head outputs
if head_outputs.len() == 1 {
Ok(head_outputs
.into_iter()
.next()
.expect("head_outputs should have at least one element"))
} else {
// Average the heads
let mut sum = head_outputs[0].clone();
for head in head_outputs.iter().skip(1) {
sum = sum.add_op(head)?;
}
let num_heads_tensor = full(sum.shape().dims(), self.num_heads as f32)?;
sum.div(&num_heads_tensor)
}
}
fn parameters(&self) -> HashMap<String, Parameter> {
self.base.parameters.clone()
}
fn training(&self) -> bool {
self.base.training()
}
fn train(&mut self) {
self.base.set_training(true);
}
fn eval(&mut self) {
self.base.set_training(false);
}
fn set_training(&mut self, training: bool) {
self.base.set_training(training);
}
fn to_device(&mut self, device: DeviceType) -> Result<()> {
self.base.to_device(device)
}
fn named_parameters(&self) -> HashMap<String, Parameter> {
self.base.named_parameters()
}
}
#[cfg(test)]
mod tests {
use super::*;
use crate::layers::linear::Linear;
#[test]
fn test_neural_ode_creation() {
let inner_model = Box::new(Linear::new(10, 10, true));
let node = NeuralODE::new(inner_model, ODESolver::Euler, 1e-3, 1e-3, 100);
assert_eq!(node.max_steps, 100);
assert!((node.atol - 1e-3).abs() < 1e-6);
}
#[test]
fn test_capsule_layer_creation() {
let capsule = CapsuleLayer::new(10, 5, 8, 16, 3).unwrap();
assert_eq!(capsule.in_capsules, 10);
assert_eq!(capsule.out_capsules, 5);
assert_eq!(capsule.in_dim, 8);
assert_eq!(capsule.out_dim, 16);
assert_eq!(capsule.num_routing, 3);
}
#[test]
fn test_graph_conv_creation() {
let gcn = GraphConvLayer::new(64, 32, true).unwrap();
assert_eq!(gcn.in_features, 64);
assert_eq!(gcn.out_features, 32);
assert!(gcn.use_bias);
}
#[test]
fn test_graph_attention_creation() {
let gat = GraphAttentionLayer::new(64, 32, 8, 0.1, 0.2).unwrap();
assert_eq!(gat.in_features, 64);
assert_eq!(gat.out_features, 32);
assert_eq!(gat.num_heads, 8);
assert!((gat.dropout - 0.1).abs() < 1e-6);
assert!((gat.alpha - 0.2).abs() < 1e-6);
}
}