Improvise, Adapt, Overcome: An On-The-Fly Multifidelity Algorithm for Efficient Machine Learning

arXiv:2606.02662v1 Announce Type: cross Abstract: Machine learning has accelerated quantum chemistry but is hindered by the prohibitive cost of generating high fidelity training data. Multifidelity machine learning (MFML) mitigates this overhead by systematically combining abundant low fidelity data with sparse high fidelity data. In spite of its...

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