Pt heptamer island

SystemMorse

Atoms343

Runs49

Cap10000 force calls

The main metric is Force calls. Scoring rules.

Charts

Success rate on Pt heptamer island, in rank order. The rate is the share of runs that finished. 6 ranked rows did not record a success rate and are not drawn. PDF.

Dolan-Moré profile for Minimum mode on Pt heptamer island. The curve is the fraction of starts whose cost is at most tau times the best finite cost in this family. Tau is 1, 2, 4, 8, and 16. An unsolved start stays in the denominator and does not cross a finite tau. Dolan, E. D. and Moré, J. J., Math. Program. 91:201-213, 2002. Colored lines are the six largest areas. The other curves are gray. PDF.

Dolan-Moré profile for Single-ended saddle on Pt heptamer island. The curve is the fraction of starts whose cost is at most tau times the best finite cost in this family. Tau is 1, 2, 4, 8, and 16. An unsolved start stays in the denominator and does not cross a finite tau. Dolan, E. D. and Moré, J. J., Math. Program. 91:201-213, 2002. PDF.

Force calls on each recorded start for Pt heptamer island. The box is the quartiles of those counts. A blue point is a success and a vermillion cross is a recorded failure (56). The horizontal position is the recorded count. The vertical offset only keeps marks from covering one another. PDF.

Sella on Pt heptamer island. Each point is one recorded version of one method. Versions run left to right in numeric order. PAR-2 is omitted where that row has none. No line is drawn across a missing value. PDF.

eOn on Pt heptamer island. Each point is one recorded version of one method. Versions run left to right in numeric order. PAR-2 is omitted where that row has none. No line is drawn across a missing value. PDF.

Performance profile. Higher means more starts solved within that cost ratio. Colored lines are the six largest areas. Thin lines are the other 11.

• Sella (2.6.0) · Sella
• Eon svn (r2549) · Lanczos improved L-BFGS
• eOn (3.5.0) · Lanczos improved L-BFGS
• Eon svn (r2549) · Dimer L-BFGS
• eOn (3.6.0) · LBFGS
• eOn (3.5.0) · Dimer L-BFGS

Cost distribution of 23 ranked rows. Logarithmic bins, from 53 to 11854.5.

Performance profile SVG Cost and success SVG

Performance profile. Select the plot for the full SVG.

Cost and success. Select the plot for the full SVG.

A shorter bar is a lower cost on a log scale shared by the codes of this problem.

Leaderboard

A shorter bar is a lower cost on the log scale for that problem. Select a column heading to sort.

Rank	Code	Best	Median	Success	PAR-2
1	Sella	53	63.6429	100.0%	53
2	OPTIM	71	71	100.0%	71
3	pele	88	88	100.0%	88
4	Eon svn	106	115.48	100.0%	106
5	eOn	108.796	135.408	100.0%	108.796
6	rgsaddle	223.898	6505.47	100.0%	223.898
7	OptKing	1059.98	1060.31	100.0%	1059.98
8	TSASE	1144.31	1144.31	100.0%	1144.31
9	pARTn	1970.22	1970.22	91.8%	1970.22

The tables below list every ranked row, by method family and overall.

eOn rows are not yet on the harness counter.

A run short of the full set, or a run that is not the stock method, stays off the ranked table.

Minimum mode

Minimum mode. One row is one code, one version, and one method. A lower cost is better. PAR-2 counts a finished run as the calls it used and a failed run as twice the cap. An archived row shows the average it published, and its PAR-2 applies that rule to the failures the entry records. Hessians is the mean analytic Hessian count. FD calls is that count times one force call per coordinate.

Rank	Row	Cost	Unit	Hessians	FD calls	Runs
1	eOn (r2156) · eon-lanczos-improved	106	force calls	0	0	49
2	Eon svn (r2549) · Lanczos improved L-BFGS	106.388	force calls	0	0	49
3	eOn (3.5.0) · Lanczos improved L-BFGS	108.796	force calls	0	0	49
4	Eon svn (r2549) · Dimer L-BFGS	114.959	force calls	0	0	49
5	eOn (r2156) · eon-dimer	116	force calls	0	0	49
6	eOn (3.5.0) · Dimer L-BFGS	133.898	force calls	0	0	49
7	eOn (r2156) · eon-lanczos	143	force calls	0	0	49
8	Eon svn (r2549) · Lanczos L-BFGS	146.163	force calls	0	0	49
9	eOn (3.5.0) · Lanczos L-BFGS	155.571	force calls	0	0	49
10	rgsaddle (0.2.2) · Dimer rotation-skip L-BFGS	223.898	force calls	0	0	49
11	eOn (3.6.0) · Lanczos	238.837	force calls	0	0	49
12	TSASE (1.0) · SSDimer	1144.31	force calls	0	0	49
13	rgsaddle (0.2.2) · Dimer FIRE	3274.14	force calls	0	0	49
14	rgsaddle (0.2.2) · Lanczos L-BFGS	9736.8	force calls	0	0	49
15	rgsaddle (0.2.2) · Dimer L-BFGS	11854.5	force calls	0	0	49

Single-ended saddle

Single-ended saddle. One row is one code, one version, and one method. A lower cost is better. PAR-2 counts a finished run as the calls it used and a failed run as twice the cap. An archived row shows the average it published, and its PAR-2 applies that rule to the failures the entry records. Hessians is the mean analytic Hessian count. FD calls is that count times one force call per coordinate.

Rank	Row	Cost	Unit	Hessians	FD calls	Runs
1	Sella (0.1.1) · sella	53	force calls	0	0	49
2	Sella (2.6.0) · Sella	74.2857	force calls	0	0	49
3	eOn (3.6.0) · LBFGS	135.408	force calls	0	0	49
4	OptKing (0.5.1.dev2+g767e2c0c1) · RS_I_RFO	1059.98	force calls	1	1029	49
5	OptKing (0.5.1.dev2+g767e2c0c1) · P_RFO	1060.63	force calls	1	1029	49
6	pARTn (1.1.0) · ARTn	1970.22	force calls	0	0	49

Connect / double-ended

Connect / double-ended. One row is one code, one version, and one method. A lower cost is better. PAR-2 counts a finished run as the calls it used and a failed run as twice the cap. An archived row shows the average it published, and its PAR-2 applies that rule to the failures the entry records. Hessians is the mean analytic Hessian count. FD calls is that count times one force call per coordinate.

Rank	Row	Cost	Unit	Hessians	FD calls	Runs
1	OPTIM · hybrid eigenvector following	71	force calls	0	0	49
2	pele · hybrid eigenvector following	88	force calls	0	0	49

Overall

One row is one code, one version, and one method. A lower cost is better. PAR-2 counts a finished run as the calls it used and a failed run as twice the cap. An archived row shows the average it published, and its PAR-2 applies that rule to the failures the entry records. Hessians is the mean analytic Hessian count. FD calls is that count times one force call per coordinate.

Row	Family	Family rank	Unit	PAR-2	Published	Median calls	Mean calls	Hessians	FD calls	Failures	Runs
Sella (0.1.1) · sella	Single-ended saddle	1	force calls	53	53	51	53	0	0	0 failed	49
OPTIM · hybrid eigenvector following	Connect / double-ended	1	force calls	71	71	70	71	0	0	0 failed	49
Sella (2.6.0) · Sella	Single-ended saddle	2	force calls	74.2857		71	74.2857	0	0	crash 0, divergence 0, cap 0, wrong_stationary 0	49
pele · hybrid eigenvector following	Connect / double-ended	2	force calls	88	88	78	88	0	0	0 failed	49
eOn (r2156) · eon-lanczos-improved	Minimum mode	1	force calls	106	106	100	106	0	0	0 failed	49
Eon svn (r2549) · Lanczos improved L-BFGS	Minimum mode	2	force calls	106.388		100	106.388	0	0	crash 0, divergence 0, cap 0, wrong_stationary 0	49
eOn (3.5.0) · Lanczos improved L-BFGS	Minimum mode	3	force calls	108.796		107	108.796	0	0	crash 0, divergence 0, cap 0, wrong_stationary 0	49
Eon svn (r2549) · Dimer L-BFGS	Minimum mode	4	force calls	114.959		112	114.959	0	0	crash 0, divergence 0, cap 0, wrong_stationary 0	49
eOn (r2156) · eon-dimer	Minimum mode	5	force calls	116	116	114	116	0	0	0 failed	49
eOn (3.5.0) · Dimer L-BFGS	Minimum mode	6	force calls	133.898		131	133.898	0	0	crash 0, divergence 0, cap 0, wrong_stationary 0	49
eOn (3.6.0) · LBFGS	Single-ended saddle	3	force calls	135.408		133	135.408	0	0	crash 0, divergence 0, cap 0, wrong_stationary 0	49
eOn (r2156) · eon-lanczos	Minimum mode	7	force calls	143	143	139	143	0	0	0 failed	49
Eon svn (r2549) · Lanczos L-BFGS	Minimum mode	8	force calls	146.163		140	146.163	0	0	crash 0, divergence 0, cap 0, wrong_stationary 0	49
eOn (3.5.0) · Lanczos L-BFGS	Minimum mode	9	force calls	155.571		149	155.571	0	0	crash 0, divergence 0, cap 0, wrong_stationary 0	49
rgsaddle (0.2.2) · Dimer rotation-skip L-BFGS	Minimum mode	10	force calls	223.898		145	223.898	0	0	crash 0, divergence 0, cap 0, wrong_stationary 0	49
eOn (3.6.0) · Lanczos	Minimum mode	11	force calls	238.837		173	238.837	0	0	crash 0, divergence 0, cap 0, wrong_stationary 0	49
OptKing (0.5.1.dev2+g767e2c0c1) · RS_I_RFO	Single-ended saddle	4	force calls	1059.98		1060	1059.98	1	1029	crash 0, divergence 0, cap 0, wrong_stationary 0	49
OptKing (0.5.1.dev2+g767e2c0c1) · P_RFO	Single-ended saddle	5	force calls	1060.63		1059	1060.63	1	1029	crash 0, divergence 0, cap 0, wrong_stationary 0	49
TSASE (1.0) · SSDimer	Minimum mode	12	force calls	1144.31		892	1144.31	0	0	crash 0, divergence 0, cap 0, wrong_stationary 0	49
pARTn (1.1.0) · ARTn	Single-ended saddle	6	force calls	1970.22		265	380.224	0	0	crash 4, divergence 0, cap 0, wrong_stationary 0	49
rgsaddle (0.2.2) · Dimer FIRE	Minimum mode	13	force calls	3274.14		2337	3070.14	0	0	crash 0, divergence 0, cap 1, wrong_stationary 0	49
rgsaddle (0.2.2) · Lanczos L-BFGS	Minimum mode	14	force calls	9736.8		974	5048.08	0	0	crash 0, divergence 0, cap 23, wrong_stationary 0	49
rgsaddle (0.2.2) · Dimer L-BFGS	Minimum mode	15	force calls	11854.5		10011	6146.45	0	0	crash 0, divergence 0, cap 28, wrong_stationary 0	49

Off the ranked table

• eOn (3.6.0) · LBFGS n=49, not yet on the harness counter.
• eOn (3.6.0) · LBFGS n=49, not yet on the harness counter.

Success on this problem: harness force calls under the cap, Euclidean force norm at the stop, and Hessian index 1.