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2013年 12月 19日 (木) 10:47:09 JST
#30862: Abort BFGS optimization if RFO scaling factor is too large
Open Date: 2013-02-28 20:55
Last Update: 2013-12-19 10:47
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http://sourceforge.jp/ticket/browse.php?group_id=6231&tid=30862
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Last Changes/Comment for this Ticket:
2013-12-19 10:47 Update by: ktns
* マイルストーン Update from ver0.3.0 to ver0.4.0.
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Ticket Status:
Reporter: ktns
Owner: ktns
Type: パッチ
Status: オープン
Priority: 6
MileStone: ver0.4.0
Component: (未割り当て)
Severity: 6
Resolution: なし
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Ticket details:
If the approximated Hessian matrix is too poor, the trust radius can go too small and RFO step scaling factor can go too large, and computational error can become non-negligible to compute actual/expected energy change ratio.
To prevent this diversion, RFO step scaling factor might have to been capped at a certain upper limit and BFGS process might have to be aborted if the factor exceeds the limit.
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