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Equation 2 · How Materials Discovery and Degradation Actually Work

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PP

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the target property, s\mathbf{s} is a structural descriptor vector (lattice parameters, coordination, bonding topology). Read the equation part by part below; each part has a contextual explanation and a link to its mathematical background.

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PP

Symbol P

the target property, s\mathbf{s} is a structural descriptor vector (lattice parameters, coordination, bonding topology).

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What the article says around this equation

where P is the target property, s\mathbf{s} is a structural descriptor vector (lattice parameters, coordination, bonding topology), and θ\theta are parameters fit to a training set \{(si\mathbf{s}_i, PiP_i)\} . The equation is trivial; the content is entirely in what s\mathbf{s} includes and what range of si\mathbf{s}_i the training set spans. A model fit only on cubic perovskites extrapolates poorly to a layered structure even if the underlying physics is continuous, because f was never asked to fit that region.

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