Mechanism-based organization of neural networks to emulate systems biology and pharmacology models.
Sci Rep
; 14(1): 12082, 2024 05 27.
Article
em En
| MEDLINE
| ID: mdl-38802422
ABSTRACT
Deep learning neural networks are often described as black boxes, as it is difficult to trace model outputs back to model inputs due to a lack of clarity over the internal mechanisms. This is even true for those neural networks designed to emulate mechanistic models, which simply learn a mapping between the inputs and outputs of mechanistic models, ignoring the underlying processes. Using a mechanistic model studying the pharmacological interaction between opioids and naloxone as a proof-of-concept example, we demonstrated that by reorganizing the neural networks' layers to mimic the structure of the mechanistic model, it is possible to achieve better training rates and prediction accuracy relative to the previously proposed black-box neural networks, while maintaining the interpretability of the mechanistic simulations. Our framework can be used to emulate mechanistic models in a large parameter space and offers an example on the utility of increasing the interpretability of deep learning networks.
Texto completo:
1
Base de dados:
MEDLINE
Assunto principal:
Redes Neurais de Computação
/
Biologia de Sistemas
/
Aprendizado Profundo
/
Naloxona
Idioma:
En
Ano de publicação:
2024
Tipo de documento:
Article
País de afiliação:
Estados Unidos