model.py 文件源码

python
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项目:keras-molecules 作者: maxhodak 项目源码 文件源码
def _buildEncoder(self, x, latent_rep_size, max_length, epsilon_std = 0.01):
        h = Convolution1D(9, 9, activation = 'relu', name='conv_1')(x)
        h = Convolution1D(9, 9, activation = 'relu', name='conv_2')(h)
        h = Convolution1D(10, 11, activation = 'relu', name='conv_3')(h)
        h = Flatten(name='flatten_1')(h)
        h = Dense(435, activation = 'relu', name='dense_1')(h)

        def sampling(args):
            z_mean_, z_log_var_ = args
            batch_size = K.shape(z_mean_)[0]
            epsilon = K.random_normal(shape=(batch_size, latent_rep_size), mean=0., std = epsilon_std)
            return z_mean_ + K.exp(z_log_var_ / 2) * epsilon

        z_mean = Dense(latent_rep_size, name='z_mean', activation = 'linear')(h)
        z_log_var = Dense(latent_rep_size, name='z_log_var', activation = 'linear')(h)

        def vae_loss(x, x_decoded_mean):
            x = K.flatten(x)
            x_decoded_mean = K.flatten(x_decoded_mean)
            xent_loss = max_length * objectives.binary_crossentropy(x, x_decoded_mean)
            kl_loss = - 0.5 * K.mean(1 + z_log_var - K.square(z_mean) - K.exp(z_log_var), axis = -1)
            return xent_loss + kl_loss

        return (vae_loss, Lambda(sampling, output_shape=(latent_rep_size,), name='lambda')([z_mean, z_log_var]))
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