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Characterizing Uncertainty in Machine Learning for Chemistry
[Image: see text] Characterizing uncertainty in machine learning models has recently gained interest in the context of machine learning reliability, robustness, safety, and active learning. Here, we separate the total uncertainty into contributions from noise in the data (aleatoric) and shortcomings...
| 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/PMC10336963/ https://www.ncbi.nlm.nih.gov/pubmed/37338239 http://dx.doi.org/10.1021/acs.jcim.3c00373 |