Orders of coupling representations as a versatile framework for machine learning from sparse data in high-dimensional spaces
Machine learning (ML) techniques are already widely and increasingly used in diverse applications in science and technology, including computational chemistry. Specifically in computational chemistry, neural networks (NN) and kernel methods such as Gaussian process regressions (GPR) have been increa...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2023-12-01
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| Series: | Artificial Intelligence Chemistry |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2949747723000088 |