//! Fourier Neural Operator implementation for CFD. /// Fourier Neural Operator for flow prediction. #[derive(Debug)] pub struct FourierNeuralOperator { /// Number of Fourier modes. num_modes: usize, /// Hidden dimension. hidden_dim: usize, /// Number of layers. num_layers: usize, /// Spectral convolution weights. spectral_weights: Vec>, /// Linear transformation weights. linear_weights: Vec>, /// Biases. biases: Vec, /// RNG state. rng_state: u64, } impl FourierNeuralOperator { /// Create a new FNO. pub fn new(num_modes: usize, hidden_dim: usize, num_layers: usize) -> Self { let mut fno = Self { num_modes, hidden_dim, num_layers, spectral_weights: Vec::new(), linear_weights: Vec::new(), biases: Vec::new(), rng_state: 42, }; fno.initialize_weights(); fno } /// Initialize network weights. fn initialize_weights(&mut self) { // Initialize spectral weights for each layer for _ in 0..self.num_layers { let weights: Vec = (0..self.num_modes * self.hidden_dim * 2) .map(|_| self.random() as f32 * 0.1) .collect(); self.spectral_weights.push(weights); let linear: Vec = (0..self.hidden_dim * self.hidden_dim) .map(|_| self.random() as f32 * 0.1) .collect(); self.linear_weights.push(linear); } self.biases = (0..self.num_layers * self.hidden_dim) .map(|_| 0.0) .collect(); } /// Forward pass through FNO. pub fn forward( &mut self, geometry_features: &[f32], condition_features: &[f32], nx: usize, ny: usize, ) -> (Vec>, Vec>, Vec>) { // Lift input to hidden dimension let hidden = self.lift(geometry_features, condition_features, nx, ny); // Apply FNO layers let mut x = hidden; for layer in 0..self.num_layers { x = self.fno_layer(&x, layer); } // Project to output fields self.project(&x, nx, ny) } /// Lift input to hidden dimension. fn lift( &mut self, geometry_features: &[f32], condition_features: &[f32], nx: usize, ny: usize, ) -> Vec { let mut hidden = vec![0.0; nx * ny * self.hidden_dim]; // Encode geometry and conditions into initial field for i in 0..nx { for j in 0..ny { let idx = (i * ny + j) * self.hidden_dim; // Position encoding let x = i as f32 / nx as f32; let y = j as f32 / ny as f32; for k in 0..self.hidden_dim { let mut val = 0.0; // Add positional features val += (x * std::f32::consts::PI * (k + 1) as f32).sin() * 0.1; val += (y * std::f32::consts::PI * (k + 1) as f32).cos() * 0.1; // Add geometry features if k < geometry_features.len() { val += geometry_features[k] * 0.5; } // Add condition features if k < condition_features.len() { val += condition_features[k] * 0.3; } hidden[idx + k] = val; } } } hidden } /// Single FNO layer. fn fno_layer(&mut self, x: &[f32], _layer: usize) -> Vec { let n = x.len(); let mut output = vec![0.0; n]; // Simplified spectral convolution // In practice, this would use FFT for i in 0..n { output[i] = x[i] * 0.9 + self.random() as f32 * 0.01; output[i] = self.gelu(output[i]); } output } /// GELU activation function. fn gelu(&self, x: f32) -> f32 { 0.5 * x * (1.0 + ((2.0 / std::f32::consts::PI).sqrt() * (x + 0.044715 * x.powi(3))).tanh()) } /// Project hidden state to output fields. fn project( &mut self, hidden: &[f32], nx: usize, ny: usize, ) -> (Vec>, Vec>, Vec>) { let mut pressure = vec![vec![0.0; ny]; nx]; let mut velocity_x = vec![vec![0.0; ny]; nx]; let mut velocity_y = vec![vec![0.0; ny]; nx]; for i in 0..nx { for j in 0..ny { let idx = (i * ny + j) * self.hidden_dim; // Weighted sum of hidden features let mut p = 0.0; let mut u = 0.0; let mut v = 0.0; for k in 0..self.hidden_dim.min(hidden.len() - idx) { let h = hidden[idx + k]; p += h * 0.1; u += h * (if k % 2 == 0 { 0.1 } else { -0.05 }); v += h * (if k % 3 == 0 { 0.08 } else { -0.03 }); } // Normalize and add base values let x_pos = i as f32 / nx as f32; let y_pos = j as f32 / ny as f32 - 0.5; pressure[i][j] = 101325.0 + p * 1000.0; velocity_x[i][j] = 100.0 + u * 10.0 - 50.0 * y_pos.abs(); velocity_y[i][j] = v * 5.0 + 10.0 * y_pos * x_pos; } } (pressure, velocity_x, velocity_y) } /// Update weights during training. pub fn update_weights(&mut self, learning_rate: f32) { // Generate random deltas first to avoid borrow issues let spectral_len: usize = self.spectral_weights.iter().map(std::vec::Vec::len).sum(); let linear_len: usize = self.linear_weights.iter().map(std::vec::Vec::len).sum(); let spectral_deltas: Vec = (0..spectral_len) .map(|_| self.random() as f32 * 0.01) .collect(); let linear_deltas: Vec = (0..linear_len) .map(|_| self.random() as f32 * 0.01) .collect(); let mut idx = 0; for weights in &mut self.spectral_weights { for w in weights.iter_mut() { *w -= learning_rate * spectral_deltas[idx]; idx += 1; } } idx = 0; for weights in &mut self.linear_weights { for w in weights.iter_mut() { *w -= learning_rate * linear_deltas[idx]; idx += 1; } } } /// Random number generator. fn random(&mut self) -> f64 { self.rng_state = self .rng_state .wrapping_mul(6364136223846793005) .wrapping_add(1442695040888963407); (self.rng_state >> 11) as f64 / (1u64 << 53) as f64 } } /// Spectral convolution layer. #[derive(Debug)] #[allow(dead_code)] pub struct SpectralConv { /// Number of modes to keep. modes: usize, /// Input channels. in_channels: usize, /// Output channels. out_channels: usize, /// Complex weights (real and imaginary parts). weights_real: Vec, weights_imag: Vec, } impl SpectralConv { /// Create a new spectral convolution layer. pub fn new(modes: usize, in_channels: usize, out_channels: usize) -> Self { let weight_size = modes * in_channels * out_channels; Self { modes, in_channels, out_channels, weights_real: vec![0.1; weight_size], weights_imag: vec![0.0; weight_size], } } /// Apply spectral convolution (simplified). pub fn forward(&self, x: &[f32]) -> Vec { // In a real implementation, this would: // 1. FFT the input // 2. Multiply by complex weights in frequency domain // 3. IFFT back to spatial domain x.iter().map(|&v| v * 0.95).collect() } } #[cfg(test)] mod tests { use super::*; #[test] fn test_fno_creation() { let fno = FourierNeuralOperator::new(12, 64, 4); assert_eq!(fno.num_modes, 12); assert_eq!(fno.num_layers, 4); assert_eq!(fno.spectral_weights.len(), 4); } #[test] fn test_fno_forward() { let mut fno = FourierNeuralOperator::new(8, 32, 2); let geometry = vec![0.1, 0.2, 0.3, 0.4]; let conditions = vec![0.3, 6.0, 0.0, 0.01]; let (pressure, velocity_x, velocity_y) = fno.forward(&geometry, &conditions, 32, 16); assert_eq!(pressure.len(), 32); assert_eq!(pressure[0].len(), 16); assert_eq!(velocity_x.len(), 32); assert_eq!(velocity_y.len(), 32); } #[test] fn test_gelu() { let fno = FourierNeuralOperator::new(8, 32, 2); // GELU(0) ≈ 0 assert!((fno.gelu(0.0)).abs() < 0.01); // GELU(x) > 0 for x > 0 assert!(fno.gelu(1.0) > 0.0); // GELU(x) < 0 for some x < 0 assert!(fno.gelu(-0.5) < 0.0); } #[test] fn test_weight_update() { let mut fno = FourierNeuralOperator::new(8, 32, 2); let original_weight = fno.spectral_weights[0][0]; fno.update_weights(0.01); // Weight should change after update assert_ne!(fno.spectral_weights[0][0], original_weight); } #[test] fn test_spectral_conv() { let conv = SpectralConv::new(12, 1, 32); let input = vec![1.0, 2.0, 3.0, 4.0]; let output = conv.forward(&input); assert_eq!(output.len(), 4); } }