COMBINING NEURAL NETWORKS AND FIRST PRINCIPLE MODELS FOR BIOPROCESS MODELING

Author(s):  
B. EIKENS ◽  
M. N. KARIM ◽  
L. SIMON
2021 ◽  
Author(s):  
Philippe Sautet ◽  
Vaidish Sumaria

Step and kink sites at Pt surfaces have a crucial importance in catalysis. We employ high dimensional neural network potential (HDNNP) trained using first-principle calculations to determine the adsorption structure...


Author(s):  
Thomas P. Trappenberg

This chapter discusses models with cyclic dependencies. There are two principle architectures that are discussed. The first principle architecture of cyclic graphs comprises directed graphs similar to the Bayesian networks except that they include loops. Formally, such networks represent dynamical systems in the wider context and therefore represent some form of temporal modeling. The second type of models have connections between neurons that are bi-directional. These types of networks will be discussed in the context of stochastic units in the second half of this chapter.


Author(s):  
T. Xie ◽  
S. M. Ghiaasiaan ◽  
S. Karrila ◽  
T. McDonough

The hybrid artificial neural network-first principle modeling (ANN-FPM) is a powerful and flexible methodology that can be particularly useful for complex multi-phase flow processes. In this method the flow state variables are obtained from the solution of conservative equations using first principle-based closure relations whenever possible, and using trained artificial neural networks for poorly-understood rate processes. The ANN-FPM methodology is applied to a set of experimental data representing critical heat flux in a uniformly heated horizontal annular test section cooled with water. The first principle method is based on numerical solution of one-dimensional two-phase equilibrium conservation equations with velocity slip represented by an algebraic slip ratio correlation. The critical heat flux is predicted using trained neural networks that use local hydrodynamic parameters estimated by the first principle method. It is shown that the methodology works well for the studied data.


1999 ◽  
Vol 32 (2) ◽  
pp. 6974-6979 ◽  
Author(s):  
Bernd Eikens ◽  
M. Nazmul Karim ◽  
Laurent Simon

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