scirs2-integrate 0.4.2

Numerical integration module for SciRS2 (scirs2-integrate)
Documentation
#version 430

// Ultra-adaptive step size control with ML-enhanced prediction
// Includes memory-aware optimization and neural network-based step prediction

layout(local_size_x = 64, local_size_y = 1, local_size_z = 1) in;

// Error estimates from multiple previous steps
layout(std430, binding = 0) buffer ErrorHistoryBuffer {
    float error_history[];  // Last 8 error estimates per system
};

// Step size history
layout(std430, binding = 1) buffer StepHistoryBuffer {
    float step_history[];   // Last 8 step sizes per system
};

// Problem characteristics
layout(std430, binding = 2) buffer ProblemCharBuffer {
    float problem_char[];   // [stiffness, nonlinearity, sparsity, dimension_factor]
};

// Neural network weights for step prediction
layout(std430, binding = 3) buffer NeuralWeightsBuffer {
    float nn_weights[];     // Pre-trained NN weights for step prediction
};

// Output: new step sizes
layout(std430, binding = 4) buffer NewStepSizeBuffer {
    float new_step_size[];
};

// Step acceptance flags
layout(std430, binding = 5) buffer AcceptanceBuffer {
    int accepted[];
};

// Memory usage tracking
layout(std430, binding = 6) buffer MemoryUsageBuffer {
    float memory_usage[];   // Current GPU memory usage per system
};

// Performance metrics
layout(std430, binding = 7) buffer PerformanceBuffer {
    float performance_metrics[];  // [throughput, cache_hit_rate, bandwidth_util]
};

uniform float safety_factor;
uniform float min_factor;
uniform float max_factor;
uniform float error_tolerance;
uniform float pi_alpha;
uniform float pi_beta;
uniform int num_systems;
uniform float memory_pressure_threshold;  // Trigger memory-aware optimization
uniform bool enable_neural_prediction;    // Enable ML-based prediction
uniform bool enable_memory_optimization;  // Enable memory-aware step sizing

// Shared memory for neural network computation
shared float shared_nn_input[64 * 16];  // Input features
shared float shared_nn_hidden[64 * 8];  // Hidden layer
shared float shared_nn_output[64];      // Output predictions

// Simple neural network forward pass
float neural_network_predict(uint system_id, float features[12]) {
    uint tid = gl_LocalInvocationID.x;
    
    // Input layer to hidden layer
    for (int h = 0; h < 8; h++) {
        float sum = 0.0;
        for (int i = 0; i < 12; i++) {
            float weight = nn_weights[h * 12 + i];
            sum += features[i] * weight;
        }
        // ReLU activation
        shared_nn_hidden[tid * 8 + h] = max(0.0, sum + nn_weights[96 + h]); // bias
    }
    
    barrier();
    
    // Hidden layer to output
    float output = 0.0;
    for (int h = 0; h < 8; h++) {
        float weight = nn_weights[104 + h];  // output weights start at index 104
        output += shared_nn_hidden[tid * 8 + h] * weight;
    }
    
    // Sigmoid activation for step size factor
    output = 1.0 / (1.0 + exp(-output));
    
    return output;
}

// Memory-aware step size adjustment
float memory_aware_adjustment(uint system_id, float base_factor) {
    if (!enable_memory_optimization) return base_factor;
    
    float mem_usage = memory_usage[system_id];
    float throughput = performance_metrics[system_id * 3 + 0];
    float cache_hit_rate = performance_metrics[system_id * 3 + 1];
    float bandwidth_util = performance_metrics[system_id * 3 + 2];
    
    // Memory pressure factor (reduce step size when memory is constrained)
    float memory_factor = 1.0;
    if (mem_usage > memory_pressure_threshold) {
        memory_factor = 0.5 + 0.5 * (1.0 - mem_usage);
    }
    
    // Performance-based adjustment
    float perf_factor = 1.0;
    if (cache_hit_rate < 0.8) {
        perf_factor *= 0.9;  // Reduce step size for poor cache performance
    }
    if (bandwidth_util > 0.9) {
        perf_factor *= 0.8;  // Reduce step size when bandwidth saturated
    }
    
    return base_factor * memory_factor * perf_factor;
}

void main() {
    uint index = gl_GlobalInvocationID.x;
    
    if (index >= num_systems) return;
    
    // Get current error and step size
    float current_error = error_history[index * 8 + 7];  // Most recent error
    float current_step = step_history[index * 8 + 7];    // Most recent step
    
    // Check if step should be accepted
    bool accept_step = current_error <= error_tolerance;
    accepted[index] = accept_step ? 1 : 0;
    
    float factor = safety_factor;
    
    if (enable_neural_prediction && current_error > 0.0) {
        // Prepare features for neural network
        float features[12];
        
        // Error history features (last 4 errors)
        for (int i = 0; i < 4; i++) {
            features[i] = error_history[index * 8 + 4 + i];
        }
        
        // Step size history features (last 4 steps)
        for (int i = 0; i < 4; i++) {
            features[4 + i] = step_history[index * 8 + 4 + i];
        }
        
        // Problem characteristics
        for (int i = 0; i < 4; i++) {
            features[8 + i] = problem_char[index * 4 + i];
        }
        
        // Get neural network prediction
        float nn_factor = neural_network_predict(index, features);
        
        // Combine traditional PI controller with neural prediction
        float error_ratio = current_error / error_tolerance;
        float pi_factor = safety_factor * pow(1.0 / error_ratio, pi_alpha);
        
        // Add integral term
        if (error_history[index * 8 + 6] > 0.0) {
            float prev_error_ratio = error_history[index * 8 + 6] / error_tolerance;
            float integral_term = pow(error_ratio / prev_error_ratio, pi_beta);
            pi_factor *= integral_term;
        }
        
        // Weighted combination of PI controller and neural prediction
        float nn_weight = 0.3;  // 30% neural network, 70% traditional controller
        factor = (1.0 - nn_weight) * pi_factor + nn_weight * nn_factor;
        
    } else {
        // Traditional PI controller
        float error_ratio = current_error / error_tolerance;
        factor = safety_factor * pow(1.0 / error_ratio, pi_alpha);
        
        // Add integral term
        if (error_history[index * 8 + 6] > 0.0) {
            float prev_error_ratio = error_history[index * 8 + 6] / error_tolerance;
            float integral_term = pow(error_ratio / prev_error_ratio, pi_beta);
            factor *= integral_term;
        }
    }
    
    // Apply memory-aware adjustments
    factor = memory_aware_adjustment(index, factor);
    
    // Clamp the factor to reasonable bounds
    factor = clamp(factor, min_factor, max_factor);
    
    // Special handling for rejected steps
    if (!accept_step) {
        factor = min(factor, 0.5);
    }
    
    // Compute new step size
    float new_step = current_step * factor;
    
    // Additional safety checks
    float min_step = current_step * 0.001;  // Don't reduce by more than 1000x
    float max_step = current_step * 20.0;   // Don't increase by more than 20x
    
    new_step = clamp(new_step, min_step, max_step);
    
    new_step_size[index] = new_step;
}