Fig. 6.1.
UsingAlgorithm 5.2to compute the weighted ensemble binswhen the number of bins is M = 4. We use 106 iterations of Algorithm 5.2 with α = 105. Top left: Potential energy V and bin boundaries when M = 4. Top right: The vector defining the objective function in Algorithm 5.2, where is the approximate Poisson solution. Note that is nearly constant on each superbasin. Bottom left: (square root of) the vector involved in the mutation variance optimization in Algorithm 5.1. Bottom right: Approximate steady state distribution . All plots have been cropped at x > 0.4, where the values of and are neglibigle and is nearly constant.