最终,如果我们将模型蒸馏到只剩下一个采样步,那么模型的输入就只是纯噪声\epsilon,此时信噪比为零,即\alpha_t = 0, \sigma_t = 1。在这种极端情况下,\epsilon预测和\mathbf{x}预测之间的联系完全中断:观测数据z_t = \epsilon不再包含\mathbf{x}的信息,并且\epsilon的预测\hat{\epsilon}_{\theta}(\mathbf...
To investigate the optical properties, the frequency-dependent dielectric function was calculated within the independent particle approximation (IPA) which describes single-particle excitations, as implemented in the epsilon code inbuilt in the QE package. The calculation was performed by means of self-co...
kappa-epsilon modelWe analyze differences between ground-state electron densities of a model molecular complex obtained by solving the Kohn-Sham equations with constrained electron density (KSCED) [Wesolowski and Warshel, J. Phys. Chem. 97, 8050 (1993)] and as a solution of the standard Kohn-...
v-prediction在训练时也是对样本加噪声,但计算MSE损失函数时真值不是加的噪声,而是速度,这个速度不是随便来的,而是由噪声计算出来 ,所以我们需要得到一个关系式v=f(ε),其实这个等式就是上面推导出来的第一个等式:\mathbf{v}_\phi= \alpha_{\phi} \epsilon - \sigma_{\phi} \mathbf{x}。再次强调,\mathbf...