NNP_test_cpp

计算神经网络势函数及其对描述符分量的导数

#include <iostream>

void apply_ann_one_layer(
const int N_des, 
const int N_neu, 
const float* w0, 
const float* b0, 
const float* w1, 
const float* b1, 
float* q,
float& energy,
float* energy_derivative)
{
    for ( int n =  0;  n <  N_neu;  + + n) {
        float w0_times_q= 0.0f; 
        for ( int d=  0;  d <  N_des;  + + d)  {
        w0_times_q += w0[n * N_des + d]*q[d];
        }
        float x1 = tanh(w0_times_q - b0[n]);
        float tanh_der =  1.0f -  x1 *  x1; 
        energy +=w1[n]*x1;
        for (int d=0; d<N_des; ++d) {
        float y1 =  tanh_der *  w0[ n *  N_des +  d]  ; 
        energy_derivative[d] += w1[n] * y1;
        }
    }
    energy -= b1[0];
}