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Bfgs stability - #182

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spraharsh merged 2 commits into
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bfgs-stability
Oct 11, 2026
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spraharsh merged 2 commits into
mainfrom
bfgs-stability

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@spraharsh

@spraharsh spraharsh commented Oct 11, 2026 •

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Scipy's strong Wolfe Line Search for BFGS doesn't play well as you go to lower tolerances. A tol of 1e-6 leads to energy changes of ~1e-14, where there are fluctuations that occasionally cause the solver to fail on some random seeds.

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spraharsh requested a balanced review from Copilot October 11, 2026 19:03

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Copilot was unable to review this pull request because the user who requested the review has reached their quota limit.

@spraharsh
spraharsh merged commit f208883 into main Oct 11, 2026
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2 participants