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Reconstructing Kernel-Based Machine Learning Force Fields with Superlinear Convergence
[Image: see text] Kernel machines have sustained continuous progress in the field of quantum chemistry. In particular, they have proven to be successful in the low-data regime of force field reconstruction. This is because many equivariances and invariances due to physical symmetries can be incorpor...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2023
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10373489/ https://www.ncbi.nlm.nih.gov/pubmed/37156733 http://dx.doi.org/10.1021/acs.jctc.2c01304 |