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cs.LG2022★ 4 cited
Toward Human-AI Co-creation to Accelerate Material Discovery
Dmitry Zubarev, Carlos Raoni Mendes, Emilio Vital Brazil +5
There is an increasing need in our society to achieve faster advances in Science to tackle urgent problems, such as climate changes, environmental hazards, sustainable energy syste…
cs.LG2022
Topology-Driven Generative Completion of Lacunae in Molecular Data
Dmitry Yu. Zubarev, Petar Ristoski
We introduce an approach to the targeted completion of lacunae in molecular data sets which is driven by topological data analysis, such as Mapper algorithm. Lacunae are filled in…