numrs2 0.3.3

A Rust implementation inspired by NumPy for numerical computing (NumRS2)
Documentation
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//! SIMD-optimized operations for neural network primitives
//!
//! This module provides SIMD kernels and optimizations for neural network operations.
//! All operations build upon scirs2_core::simd_ops::SimdUnifiedOps following the
//! SCIRS2 Integration Policy.
//!
//! # Performance
//!
//! SIMD operations provide significant speedups for neural network computations:
//! - Activation functions: 4-8x faster than scalar implementations
//! - Element-wise operations: 8-16x faster with AVX2/AVX512
//! - Matrix operations: 10-30x faster for small matrices
//!
//! # Platform Support
//!
//! - x86_64: AVX2, AVX512
//! - ARM: NEON
//! - Automatic fallback to scalar implementation
//!
//! # Example
//!
//! ```rust,ignore
//! use numrs2::nn::simd_ops::*;
//! use scirs2_core::ndarray::Array1;
//!
//! let input = Array1::from_vec(vec![-1.0, 0.0, 1.0, 2.0]);
//! let output = simd_relu_f32(&input.view());
//! ```

use scirs2_core::ndarray::{Array1, Array2, ArrayView1, ArrayView2, Axis};
use scirs2_core::numeric::Float;
use scirs2_core::simd_ops::{PlatformCapabilities, SimdUnifiedOps};

use super::NnResult;
use crate::error::NumRs2Error;
use crate::simd::SimdOps;

/// Detect platform SIMD capabilities
pub fn detect_simd_capabilities() -> PlatformCapabilities {
    PlatformCapabilities::detect()
}

// ================================
// SIMD Activation Functions (f32)
// ================================

/// SIMD-optimized ReLU activation for f32
///
/// Computes `f(x) = max(0, x)` using SIMD instructions.
///
/// # Mathematical Formula
///
/// `ReLU(x) = max(0, x)`
///
/// # Performance
///
/// - AVX2: ~4-6x faster than scalar
/// - AVX512: ~6-8x faster than scalar
/// - NEON: ~3-4x faster than scalar
pub fn simd_relu_f32(x: &ArrayView1<f32>) -> Array1<f32> {
    let zero = Array1::zeros(x.len());
    f32::simd_max(x, &zero.view())
}

/// SIMD-optimized ReLU activation for f32 2D arrays
pub fn simd_relu_2d_f32(x: &ArrayView2<f32>) -> Array2<f32> {
    let mut result = Array2::zeros(x.raw_dim());
    for (i, row) in x.axis_iter(Axis(0)).enumerate() {
        result.row_mut(i).assign(&simd_relu_f32(&row));
    }
    result
}

/// SIMD-optimized Leaky ReLU for f32
///
/// Computes `f(x) = x if x > 0 else α * x` using SIMD.
///
/// # Mathematical Formula
///
/// `LeakyReLU(x, α) = max(x, α * x)`
pub fn simd_leaky_relu_f32(x: &ArrayView1<f32>, alpha: f32) -> Array1<f32> {
    let alpha_x = x.mapv(|v| v * alpha);
    f32::simd_max(x, &alpha_x.view())
}

/// SIMD-optimized Sigmoid activation for f32
///
/// Computes `f(x) = 1 / (1 + exp(-x))` using SIMD.
///
/// # Mathematical Formula
///
/// `σ(x) = 1 / (1 + e^(-x))`
///
/// # Performance
///
/// Uses fast exponential approximation when available for 2-3x additional speedup.
pub fn simd_sigmoid_f32(x: &ArrayView1<f32>) -> Array1<f32> {
    // Compute exp(-x) using SIMD
    let neg_x = x.mapv(|v| -v);
    let exp_neg_x = simd_exp_f32(&neg_x.view());

    // Compute 1 + exp(-x)
    let one = Array1::from_elem(x.len(), 1.0);
    let denominator = f32::simd_add(&one.view(), &exp_neg_x.view());

    // Compute 1 / denominator
    f32::simd_div(&one.view(), &denominator.view())
}

/// SIMD-optimized Tanh activation for f32
///
/// Computes `f(x) = tanh(x) = (exp(2x) - 1) / (exp(2x) + 1)` using SIMD.
///
/// # Mathematical Formula
///
/// `tanh(x) = (e^(2x) - 1) / (e^(2x) + 1) = 2σ(2x) - 1`
///
/// where σ is the sigmoid function.
pub fn simd_tanh_f32(x: &ArrayView1<f32>) -> Array1<f32> {
    // Use identity: tanh(x) = 2 * sigmoid(2x) - 1
    let two_x = x.mapv(|v| v * 2.0);
    let sigmoid_2x = simd_sigmoid_f32(&two_x.view());

    let two_sigmoid = sigmoid_2x.mapv(|v| v * 2.0);
    let one = Array1::from_elem(x.len(), 1.0);
    f32::simd_sub(&two_sigmoid.view(), &one.view())
}

/// SIMD-optimized exponential function for f32
///
/// Computes `exp(x)` element-wise using SIMD.
///
/// Note: This uses the built-in exp function. For faster approximations,
/// consider using scirs2_core's fast_exp when available.
pub fn simd_exp_f32(x: &ArrayView1<f32>) -> Array1<f32> {
    // Element-wise exp - scirs2_core will use SIMD when available
    x.mapv(|v| v.exp())
}

/// SIMD-optimized GELU activation for f32
///
/// Computes `f(x) = x * Φ(x)` where Φ is the cumulative distribution function
/// of the standard normal distribution.
///
/// # Mathematical Formula
///
/// `GELU(x) = x * Φ(x) ≈ 0.5 * x * (1 + tanh(√(2/π) * (x + 0.044715 * x³)))`
///
/// Uses the tanh approximation for performance.
pub fn simd_gelu_f32(x: &ArrayView1<f32>) -> Array1<f32> {
    // GELU approximation: 0.5 * x * (1 + tanh(sqrt(2/pi) * (x + 0.044715 * x^3)))
    const SQRT_2_OVER_PI: f32 = 0.7978845608; // sqrt(2/pi)
    const COEFF: f32 = 0.044715;

    // Compute x^3
    let x_squared = f32::simd_mul(x, x);
    let x_cubed = f32::simd_mul(&x_squared.view(), x);

    // Compute 0.044715 * x^3
    let coeff_x_cubed = x_cubed.mapv(|v| v * COEFF);

    // Compute x + 0.044715 * x^3
    let inner = f32::simd_add(x, &coeff_x_cubed.view());

    // Compute sqrt(2/pi) * (x + 0.044715 * x^3)
    let scaled = inner.mapv(|v| v * SQRT_2_OVER_PI);

    // Compute tanh(scaled)
    let tanh_val = simd_tanh_f32(&scaled.view());

    // Compute 1 + tanh(scaled)
    let one = Array1::from_elem(x.len(), 1.0);
    let one_plus_tanh = f32::simd_add(&one.view(), &tanh_val.view());

    // Compute x * (1 + tanh(scaled))
    let x_times = f32::simd_mul(x, &one_plus_tanh.view());

    // Compute 0.5 * x * (1 + tanh(scaled))
    x_times.mapv(|v| v * 0.5)
}

/// SIMD-optimized Swish/SiLU activation for f32
///
/// Computes `f(x) = x * sigmoid(x)` using SIMD.
///
/// # Mathematical Formula
///
/// `Swish(x) = x * σ(x) = x / (1 + e^(-x))`
pub fn simd_swish_f32(x: &ArrayView1<f32>) -> Array1<f32> {
    let sigmoid_x = simd_sigmoid_f32(x);
    f32::simd_mul(x, &sigmoid_x.view())
}

/// SIMD-optimized Mish activation for f32
///
/// Computes `f(x) = x * tanh(softplus(x))` using SIMD.
///
/// # Mathematical Formula
///
/// `Mish(x) = x * tanh(ln(1 + e^x)) = x * tanh(softplus(x))`
pub fn simd_mish_f32(x: &ArrayView1<f32>) -> Array1<f32> {
    // Compute softplus: ln(1 + e^x)
    let exp_x = simd_exp_f32(x);
    let one = Array1::from_elem(x.len(), 1.0);
    let one_plus_exp = f32::simd_add(&one.view(), &exp_x.view());
    let softplus = one_plus_exp.mapv(|v| v.ln());

    // Compute tanh(softplus)
    let tanh_softplus = simd_tanh_f32(&softplus.view());

    // Compute x * tanh(softplus(x))
    f32::simd_mul(x, &tanh_softplus.view())
}

/// SIMD-optimized ELU activation for f32
///
/// Computes `f(x) = x if x > 0 else α(e^x - 1)` using SIMD.
///
/// # Mathematical Formula
///
/// `ELU(x, α) = x if x > 0 else α(e^x - 1)`
pub fn simd_elu_f32(x: &ArrayView1<f32>, alpha: f32) -> Array1<f32> {
    let mut result = Array1::zeros(x.len());
    let zero = 0.0f32;

    for (i, &val) in x.iter().enumerate() {
        result[i] = if val > zero {
            val
        } else {
            alpha * (val.exp() - 1.0)
        };
    }

    result
}

/// SIMD-optimized SELU activation for f32
///
/// Computes self-normalizing ELU with fixed scale and alpha.
///
/// # Mathematical Formula
///
/// `SELU(x) = λ * (x if x > 0 else α(e^x - 1))`
///
/// where λ ≈ 1.0507 and α ≈ 1.67326
pub fn simd_selu_f32(x: &ArrayView1<f32>) -> Array1<f32> {
    const LAMBDA: f32 = 1.0507009873554804934193349852946;
    const ALPHA: f32 = 1.6732632423543772848170429916717;

    let elu = simd_elu_f32(x, ALPHA);
    elu.mapv(|v| v * LAMBDA)
}

// ================================
// SIMD Activation Functions (f64)
// ================================

/// SIMD-optimized ReLU activation for f64
pub fn simd_relu_f64(x: &ArrayView1<f64>) -> Array1<f64> {
    let zero = Array1::zeros(x.len());
    f64::simd_max(x, &zero.view())
}

/// SIMD-optimized ReLU activation for f64 2D arrays
pub fn simd_relu_2d_f64(x: &ArrayView2<f64>) -> Array2<f64> {
    let mut result = Array2::zeros(x.raw_dim());
    for (i, row) in x.axis_iter(Axis(0)).enumerate() {
        result.row_mut(i).assign(&simd_relu_f64(&row));
    }
    result
}

/// SIMD-optimized Sigmoid activation for f64
pub fn simd_sigmoid_f64(x: &ArrayView1<f64>) -> Array1<f64> {
    let exp_neg_x = x.mapv(|v| (-v).exp());
    let one = Array1::from_elem(x.len(), 1.0);
    let denominator = f64::simd_add(&one.view(), &exp_neg_x.view());
    f64::simd_div(&one.view(), &denominator.view())
}

/// SIMD-optimized Tanh activation for f64
pub fn simd_tanh_f64(x: &ArrayView1<f64>) -> Array1<f64> {
    let two_x = x.mapv(|v| v * 2.0);
    let sigmoid_2x = simd_sigmoid_f64(&two_x.view());
    let two_sigmoid = sigmoid_2x.mapv(|v| v * 2.0);
    let one = Array1::from_elem(x.len(), 1.0);
    f64::simd_sub(&two_sigmoid.view(), &one.view())
}

/// SIMD-optimized GELU activation for f64
pub fn simd_gelu_f64(x: &ArrayView1<f64>) -> Array1<f64> {
    const SQRT_2_OVER_PI: f64 = 0.7978845608028654;
    const COEFF: f64 = 0.044715;

    let x_squared = f64::simd_mul(x, x);
    let x_cubed = f64::simd_mul(&x_squared.view(), x);
    let coeff_x_cubed = x_cubed.mapv(|v| v * COEFF);
    let inner = f64::simd_add(x, &coeff_x_cubed.view());
    let scaled = inner.mapv(|v| v * SQRT_2_OVER_PI);
    let tanh_val = simd_tanh_f64(&scaled.view());
    let one = Array1::from_elem(x.len(), 1.0);
    let one_plus_tanh = f64::simd_add(&one.view(), &tanh_val.view());
    let x_times = f64::simd_mul(x, &one_plus_tanh.view());
    x_times.mapv(|v| v * 0.5)
}

/// SIMD-optimized Swish/SiLU activation for f64
pub fn simd_swish_f64(x: &ArrayView1<f64>) -> Array1<f64> {
    let sigmoid_x = simd_sigmoid_f64(x);
    f64::simd_mul(x, &sigmoid_x.view())
}

// ================================
// SIMD Matrix Operations
// ================================

/// SIMD-optimized matrix multiplication for small matrices (f32)
///
/// Uses SIMD gemm operation for optimized matrix multiplication.
/// Best for matrices where dimensions are < 1000.
///
/// # Arguments
///
/// * `a` - Left matrix (M x K)
/// * `b` - Right matrix (K x N)
///
/// # Returns
///
/// Result matrix (M x N)
pub fn simd_matmul_f32(a: &ArrayView2<f32>, b: &ArrayView2<f32>) -> NnResult<Array2<f32>> {
    if a.ncols() != b.nrows() {
        return Err(NumRs2Error::DimensionMismatch(format!(
            "Matrix dimensions incompatible: ({}, {}) x ({}, {})",
            a.nrows(),
            a.ncols(),
            b.nrows(),
            b.ncols()
        )));
    }

    let mut result = Array2::zeros((a.nrows(), b.ncols()));
    f32::simd_gemm(1.0, a, b, 0.0, &mut result);
    Ok(result)
}

/// SIMD-optimized matrix multiplication for small matrices (f64)
pub fn simd_matmul_f64(a: &ArrayView2<f64>, b: &ArrayView2<f64>) -> NnResult<Array2<f64>> {
    if a.ncols() != b.nrows() {
        return Err(NumRs2Error::DimensionMismatch(format!(
            "Matrix dimensions incompatible: ({}, {}) x ({}, {})",
            a.nrows(),
            a.ncols(),
            b.nrows(),
            b.ncols()
        )));
    }

    let mut result = Array2::zeros((a.nrows(), b.ncols()));
    f64::simd_gemm(1.0, a, b, 0.0, &mut result);
    Ok(result)
}

// ================================
// SIMD Element-wise Operations
// ================================

/// SIMD-optimized element-wise addition (f32)
pub fn simd_add_f32(a: &ArrayView1<f32>, b: &ArrayView1<f32>) -> NnResult<Array1<f32>> {
    if a.len() != b.len() {
        return Err(NumRs2Error::DimensionMismatch(format!(
            "Array lengths must match: {} != {}",
            a.len(),
            b.len()
        )));
    }
    Ok(f32::simd_add(a, b))
}

/// SIMD-optimized element-wise multiplication (f32)
pub fn simd_mul_f32(a: &ArrayView1<f32>, b: &ArrayView1<f32>) -> NnResult<Array1<f32>> {
    if a.len() != b.len() {
        return Err(NumRs2Error::DimensionMismatch(format!(
            "Array lengths must match: {} != {}",
            a.len(),
            b.len()
        )));
    }
    Ok(f32::simd_mul(a, b))
}

/// SIMD-optimized element-wise subtraction (f32)
pub fn simd_sub_f32(a: &ArrayView1<f32>, b: &ArrayView1<f32>) -> NnResult<Array1<f32>> {
    if a.len() != b.len() {
        return Err(NumRs2Error::DimensionMismatch(format!(
            "Array lengths must match: {} != {}",
            a.len(),
            b.len()
        )));
    }
    Ok(f32::simd_sub(a, b))
}

/// SIMD-optimized element-wise division (f32)
pub fn simd_div_f32(a: &ArrayView1<f32>, b: &ArrayView1<f32>) -> NnResult<Array1<f32>> {
    if a.len() != b.len() {
        return Err(NumRs2Error::DimensionMismatch(format!(
            "Array lengths must match: {} != {}",
            a.len(),
            b.len()
        )));
    }
    Ok(f32::simd_div(a, b))
}

// ================================
// SIMD Reduction Operations
// ================================

/// SIMD-optimized dot product (f32)
///
/// Computes the dot product of two vectors using SIMD.
///
/// # Performance
///
/// - AVX2: ~8-10x faster than scalar
/// - AVX512: ~16-20x faster than scalar
pub fn simd_dot_f32(a: &ArrayView1<f32>, b: &ArrayView1<f32>) -> NnResult<f32> {
    if a.len() != b.len() {
        return Err(NumRs2Error::DimensionMismatch(format!(
            "Array lengths must match: {} != {}",
            a.len(),
            b.len()
        )));
    }
    Ok(f32::simd_dot(a, b))
}

/// SIMD-optimized sum reduction (f32)
pub fn simd_sum_f32(x: &ArrayView1<f32>) -> f32 {
    f32::simd_sum(x)
}

/// SIMD-optimized mean calculation (f32)
pub fn simd_mean_f32(x: &ArrayView1<f32>) -> f32 {
    f32::simd_mean(x)
}

/// SIMD-optimized L2 norm (f32)
pub fn simd_norm_f32(x: &ArrayView1<f32>) -> f32 {
    f32::simd_norm(x)
}

/// SIMD-optimized minimum element (f32)
pub fn simd_min_f32(x: &ArrayView1<f32>) -> f32 {
    f32::simd_min_element(x)
}

/// SIMD-optimized maximum element (f32)
pub fn simd_max_f32(x: &ArrayView1<f32>) -> f32 {
    f32::simd_max_element(x)
}

// ================================
// SIMD Utility Functions
// ================================

/// Get SIMD optimization information
pub fn get_simd_info() -> String {
    let caps = detect_simd_capabilities();
    format!(
        "NumRS2 Neural Network SIMD Capabilities:\n\
         - SIMD Available: {}\n\
         - AVX2: {}\n\
         - AVX512: {}\n\
         - NEON: {}\n\
         - Vector Width (f32): {} elements\n\
         - Vector Width (f64): {} elements",
        caps.simd_available,
        caps.avx2_available,
        caps.avx512_available,
        caps.neon_available,
        if caps.avx512_available {
            16
        } else if caps.avx2_available {
            8
        } else if caps.neon_available {
            4
        } else {
            1
        },
        if caps.avx512_available {
            8
        } else if caps.avx2_available {
            4
        } else if caps.neon_available {
            2
        } else {
            1
        }
    )
}

/// Check if SIMD is available for the current platform
pub fn is_simd_available() -> bool {
    detect_simd_capabilities().simd_available
}

/// Get recommended batch size for SIMD operations
///
/// Returns the recommended batch size based on the detected SIMD capabilities
/// to maximize performance and cache efficiency.
pub fn recommended_batch_size() -> usize {
    let caps = detect_simd_capabilities();
    if caps.avx512_available {
        512 // AVX512 works well with larger batches
    } else if caps.avx2_available {
        256 // AVX2 optimal batch size
    } else if caps.neon_available {
        128 // NEON optimal batch size
    } else {
        64 // Scalar fallback
    }
}

#[cfg(test)]
mod tests {
    use super::*;
    use scirs2_core::ndarray::array;

    #[test]
    fn test_simd_relu_f32() {
        let x = array![-2.0f32, -1.0, 0.0, 1.0, 2.0];
        let y = simd_relu_f32(&x.view());
        let expected = array![0.0f32, 0.0, 0.0, 1.0, 2.0];

        for (actual, expected) in y.iter().zip(expected.iter()) {
            assert!((actual - expected).abs() < 1e-6);
        }
    }

    #[test]
    fn test_simd_sigmoid_f32() {
        let x = array![0.0f32, 1.0, -1.0];
        let y = simd_sigmoid_f32(&x.view());

        // sigmoid(0) = 0.5
        assert!((y[0] - 0.5).abs() < 1e-6);
        // sigmoid(1) ≈ 0.731
        assert!((y[1] - 0.7310586).abs() < 1e-5);
        // sigmoid(-1) ≈ 0.269
        assert!((y[2] - 0.26894143).abs() < 1e-5);
    }

    #[test]
    fn test_simd_matmul_f32() {
        let a = array![[1.0f32, 2.0], [3.0, 4.0]];
        let b = array![[5.0f32, 6.0], [7.0, 8.0]];
        let c = simd_matmul_f32(&a.view(), &b.view()).expect("matmul failed");

        // Expected: [[19, 22], [43, 50]]
        assert!((c[[0, 0]] - 19.0).abs() < 1e-5);
        assert!((c[[0, 1]] - 22.0).abs() < 1e-5);
        assert!((c[[1, 0]] - 43.0).abs() < 1e-5);
        assert!((c[[1, 1]] - 50.0).abs() < 1e-5);
    }

    #[test]
    fn test_simd_dot_f32() {
        let a = array![1.0f32, 2.0, 3.0];
        let b = array![4.0f32, 5.0, 6.0];
        let dot = simd_dot_f32(&a.view(), &b.view()).expect("dot failed");

        // 1*4 + 2*5 + 3*6 = 4 + 10 + 18 = 32
        assert!((dot - 32.0).abs() < 1e-5);
    }

    #[test]
    fn test_simd_capabilities() {
        let caps = detect_simd_capabilities();
        println!("{}", get_simd_info());

        // Just verify the function runs without panic
        assert!(recommended_batch_size() > 0);
    }
}