Fig. 7: Analysis of embedding layers for model systems. | Nature Communications

Fig. 7: Analysis of embedding layers for model systems.

From: Learning molecular dynamics with simple language model built upon long short-term memory neural network

Fig. 7

Our analysis of the embedding layer constructed for a the linear and triangular 3-state and b the 4-state model systems. In a, we use solid circle and empty square markers, respectively to represent linear and triangular 3-state model potentials. In each plot, the data points are shifted slightly to the right for clarity. The distances marked actual and LSTM represent rescaled mean transition times as per Eqs. (22) and (21), respectively. Error bars were calculated as standard errors over 50 different trajectories.

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