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algorithm python » algorithms within (Expand Search), algorithm both (Expand Search)
based function » based functional (Expand Search), basis function (Expand Search), basis functions (Expand Search)
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141
Predictive Mixing for Density Functional Theory (and Other Fixed-Point Problems)
Published 2021“…This paper describes a new approach to handling trust regions within these and other fixed-point problems. Rather than adjusting the trust region based upon improvement, the prior steps are used to estimate what the parameters and trust regions should be, effectively estimating the optimal Polyak step from the prior history. …”
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Morpheus: A fragment-based algorithm to predict metamorphic behaviour in proteins across proteomes
Published 2025“…<p dir="ltr">Supplementary material for Morpheus: A fragment-based algorithm to predict metamorphic behaviour in proteins across proteomes.…”