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Generative Models in Inorganic Crystals Discovery and Inverse Design

open access: yesENERGY &ENVIRONMENTAL MATERIALS, EarlyView.
Generative inverse‐design samples from the vast inorganic crystal design space by starting from target properties such as band gap, stability, and ion transport. This Review examines the representations, generative models, and validation workflows needed to translate candidate structures into stable, potentially synthesizable materials for applications
Tao Li   +5 more
wiley   +1 more source

Bayesian modelling of neural networks

1999
Bayesian methods deal with explicit assumptions and provide rules for reasoning consistently given those assumptions. Bayesian inferences are subjective in the sense that it is not plausible to reason about data without making assumptions. Bayesian NN learning from data features (i) background information used to select a prior probability distribution
Radu Mutihac   +3 more
openaire   +1 more source

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