Global optimization

Global optimization compares 8 problems.

  • Binary Lennard-Jones 100
  • Lennard-Jones 150
  • Lennard-Jones 38 global minimum
  • Lennard-Jones 75
  • Lennard-Jones 98
  • TIP4P 10
  • TIP4P 15
  • TIP4P 20
Problems8
Codes5

Charts

Best cost for Binary Lennard-Jones 100Binary Lennard-Jones 100GMIN: -589.507GMIN-589.507Eon svn: -584.579Eon svn-584.579
A cost at or below zero is left off the log scale, so this problem has no bar.
Best cost for Lennard-Jones 150Lennard-Jones 15010⁶10⁷cost (force calls, log scale)GMIN: 1.75804e+06GMIN1.75804e+06
A shorter bar is a lower cost on a log scale shared by the codes of this problem.
Best cost for Lennard-Jones 38 global minimumLennard-Jones 38 global minimum10³10⁴10⁵10⁶cost (force calls, log scale)GMIN: 5883.83GMIN5883.83eOn: 503146eOn503146Eon svn: 508011Eon svn508011pele: 521595pele521595
A shorter bar is a lower cost on a log scale shared by the codes of this problem.
Best cost for Lennard-Jones 75Lennard-Jones 7510⁴10⁵10⁶10⁷cost (force calls, log scale)GMIN: 60692GMIN60692ASE: 2e+06ASE2e+06
A shorter bar is a lower cost on a log scale shared by the codes of this problem.
Best cost for Lennard-Jones 98Lennard-Jones 9810⁵10⁶cost (force calls, log scale)GMIN: 282815GMIN282815
A shorter bar is a lower cost on a log scale shared by the codes of this problem.
Best cost for TIP4P 10TIP4P 1010⁴10⁵cost (force calls, log scale)GMIN: 16099GMIN16099
A shorter bar is a lower cost on a log scale shared by the codes of this problem.
Best cost for TIP4P 15TIP4P 1510⁵10⁶cost (force calls, log scale)GMIN: 625362GMIN625362
A shorter bar is a lower cost on a log scale shared by the codes of this problem.
Best cost for TIP4P 20TIP4P 2010⁷10⁸cost (force calls, log scale)GMIN: 2.55667e+07GMIN2.55667e+07
A shorter bar is a lower cost on a log scale shared by the codes of this problem.

SVG file

Global optimization best ranked cost
Global optimization best ranked cost. Select the plot for the full SVG.

Leaderboard

An archived row is ranked by its PAR-2 when its entry counts its failures, and otherwise by the average it published.

A shorter bar is a lower cost on the log scale for that problem. Select a column heading to sort.
RankProblemCodeBestMedianSuccessPAR-2
1 Binary Lennard-Jones 100 GMIN -589.507 -589.507 —1 —2
2 Binary Lennard-Jones 100 Eon svn -584.579 -584.579 —1 —2
1 Lennard-Jones 150 GMIN 1.75804e+06 2.26491e+06 99.0% 1.75804e+06
1 Lennard-Jones 38 global minimum GMIN 5883.83 144331 100.0% 5883.83
2 Lennard-Jones 38 global minimum eOn 503146 503146 100.0% 503146
3 Lennard-Jones 38 global minimum Eon svn 508011 553271 —1 —2
4 Lennard-Jones 38 global minimum pele 521595 521595 100.0% —2
1 Lennard-Jones 75 GMIN 60692 1.96655e+06 100.0% 60692
2 Lennard-Jones 75 ASE 2e+06 2e+06 0.0% 2e+06
1 Lennard-Jones 98 GMIN 282815 403014 100.0% 282815
1 TIP4P 10 GMIN 16099 16167.5 100.0% 16099
1 TIP4P 15 GMIN 625362 648004 100.0% 625362
1 TIP4P 20 GMIN 2.55667e+07 2.70817e+07 100.0% 2.55667e+07

1 A dash in the success rate means that row did not record one.

2 A dash in PAR-2 means that row has no PAR-2 score.

Problems

Problems in this suite.
ProblemSystemAtomsRuns
Binary Lennard-Jones 100 binary Lennard-Jones 100 100
Lennard-Jones 150 Lennard-Jones 150 100
Lennard-Jones 38 global minimum Lennard-Jones 38 100
Lennard-Jones 75 Lennard-Jones 75 200
Lennard-Jones 98 Lennard-Jones 98 100
TIP4P 10 TIP4P, N=10 — 10000
TIP4P 15 TIP4P, N=15 — 500
TIP4P 20 TIP4P, N=20 — 100

A dash means the problem file does not state an atom count.