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To this purpose, we developed a structural alphabet (SA): a set of 25 canonical states of four-residue protein fragments (Cα atoms only) describing the most probable local conformations in high-resolution protein structures.
The most probable local ancestral states are obtained by maximizing arg max Z P (Z | g ; X ∗, Y ∗ ) = arg max Z P (g | Z ; X ∗, Y ∗ ) P (Z ) which can be efficiently solved by the Viterbi algorithm (Viterbi, 2006).
The methodology is illustrated in Figure 2. The most probable local regression model was chosen for prediction, since this gave higher prediction accuracy than using a weighted sum of the local models.
The most probable local ancestral locations are found by maximizing arg max Z P (Z | h ; X ∗ ) = arg max Z P (h | Z ; X ∗ ) P (Z ) which can be efficiently solved by the Viterbi algorithm (Viterbi 2006).
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Besides, it was found that the most probable value of the local coefficient c in the DEM simulations is similar to the global value experimentally obtained.
Predictions of response variables for the test set observations were done both by a) selecting the local model for the most probable cluster and by b) computing the regression coefficients as a probability-weighted sum of the local regression models.
Predictions of response variables for the test set observations were here done both by a) selecting the local model for the most probable cluster and by b) computing the regression coefficients as a weighted sum of the local models.
The implementation contains two options for prediction: 1) Prediction using the local regression model calibrated in the most probable cluster, and 2) Prediction using a weighted sum of the local regression models, using the estimated cluster membership values as weights.
More recently [92], simulations pointed out that defects are energetically favoured especially for small crystallites with the most probable defect types being Li-excess (with consequent local reduction of FeIII to FeII) and/or Frenkel defects (lithium insertion into interstitial sites).
Differences in local prevalence are the most probable reason, but respective data is almost non-existent.
In this paper, a new local approximation method using the most probable point (LMPP) is proposed to improve the accuracy and efficiency of RBDO methods using Kriging model.
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Justyna Jupowicz-Kozak
CEO of Professional Science Editing for Scientists @ prosciediting.com