pcbi.1011655.s003.tif (25.93 MB)
Optimization for ArDCA hyperparameters.
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posted on 2023-11-27, 19:10 authored by Hoda Akl, Brooke Emison, Xiaochuan Zhao, Arup Mondal, Alberto Perez, Purushottam D. DixitThe regularization for the couplings and the field, λJ and λH respectively. The optimized value is Δ2 = (〈Hmin from generated ensemble to MSA〉−〈Hmin within MSA〉)2.
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unlike current methodsstable 3d structuremodeling moderately sizedlow sequence coverageinformative latent spacecorresponding natural ensemblesamino acid covariationgenerative nonlinear tensoraccurate generative modeldiv >< pprotein sequence familiesprotein familiesgenerative modelsprotein scientistsrelated obstacleslarge proteinsimportant toolfactorization engineers alike
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