Skip to main content

Table 1 Performance differences among algorithms for the homopolymer of length 64.

From: An adaptive bin framework search method for a beta-sheet protein homopolymer model

Method

Temperature set

Time cut-off

E avg ± sd

E min

P – value

MCSA [9]

annealed from 2.75 to 1.25

24 min (approx)

-349.3 (± 2.1)

-362

 

REMC [9]

linear 1.25 to 2.75

28 min (approx)

-368.2 (± 0.8)

-373

 

PHAT [10]

linear 1.25 to 2.75

1 hr 25 min (approx)

-380.4 (± 1.9)

-387

 

our MC

1.25

24 min

-367.2 (± 1.7)

-370

 

our MC

1.25

28 min

-367.4 (± 2.7)

-371

0.1367

our REMC

linear 1.25 to 2.75

28 min

-368.5 (± 2.1)

-373

0.3425

our PHAT

linear 1.3 to 2.75

28 min

-367.5 (± 3.3)

-372

0.1599

our BINMC

T MC = 1.25, T bin = 6.521

28 min

-370.3 (± 4.3)

-379

 

our MC

1.25

1 hr 25 min

-368.2 (± 4.6)

-374

0.0006*

our REMC

linear 1.25 to 2.75

1 hr 25 min

-369.4 (± 3.0)

-376

0.0008*

our PHAT

linear 1.3 to 2.75

1 hr 25 min

-369.5 (± 3.2)

-376

0.0023*

our BINMC

T MC = 1.25, T bin = 6.521

1 hr 25 min

-375.7 (± 3.8)

-383

 
  1. Comparison of the energy levels reached for the homopolymer of length N = 64 by Monte Carlo Simulated Annealing (MCSA) [9], the Replica Exchange Monte Carlo (REMC) algorithm with a linear set of temperatures [9] and the Parallel-hat Tempering algorithm (PHAT) [10] with our implementation of Monte Carlo (MC), REMC and PHAT, as well as with our new Bin Framework Monte Carlo (BINMC) algorithm. The run-time reported for MCSA and REMC [9] has been conservatively adjusted to our 2.4 GHz reference machine (this was done by dividing the published run-times, which have been obtained on a 500 MHz CPU, by a factor of 4.8). The same was done for the run-times for PHAT (which were originally obtained on a 750 MHz CPU and therefore conservatively divided by 3.2).