The variational principle for conformational dynamics has enabled the systematic construction of Markov state models through the optimization of hyperparameters by approximating the transfer operator. In this note, we discuss why the lag time of the operator being approximated must be held constant in the variational approach.

中文翻译：

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注意：MSM滞后时间不能用于变量模型选择

构象动力学的变分原理通过逼近传递算子来优化超参数，从而实现了马尔可夫状态模型的系统构建。在本说明中，我们讨论了为什么在变分方法中必须将近似算子的滞后时间保持恒定。