A Gaussian process surrogate gate inserted between generative crystal models and property oracles matches or exceeds ungated fine-tuning while using roughly one-fifth the oracle calls for heat capacity and bulk modulus.
A bag- ging svm to learn from positive and unlabeled exam- ples.Pattern Recognition Letters, 37:201–209, 2014
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Surrogate-Gated Generation and Foundation-Model Embeddings for Bayesian Materials Design
A Gaussian process surrogate gate inserted between generative crystal models and property oracles matches or exceeds ungated fine-tuning while using roughly one-fifth the oracle calls for heat capacity and bulk modulus.