This work presents a recently developed approach based on physics-informed neural networks (PINNs) for the solution of initial value problems (IVPs), focusing on stiff chemical kinetic problems with governing equations of stiff ordinary differential equations (ODEs). The framework developed by the authors combines PINNs with the theory of functional connections and extreme learning machines in the so-called extreme theory of functional connections (X-TFC). While regular PINN methodologies appear to fail in solving stiff systems of ODEs easily, we show how our method, with a single-layer neural network (NN) is efficient and robust to solve such challenging problems without using artifacts to reduce the stiffness of problems. The accuracy of X-TFC is tested against several state-of-the-art methods, showing its performance both in terms of computational time and accuracy. A rigorous upper bound on the generalization error of X-TFC frameworks in learning the solutions of IVPs for ODEs is provided here for the first time. A significant advantage of this framework is its flexibility to adapt to various problems with minimal changes in coding. Also, once the NN is trained, it gives us an analytical representation of the solution at any desired instant in time outside the initial discretization. Learning stiff ODEs opens up possibilities of using X-TFC in applications with large time ranges, such as chemical dynamics in energy conversion, nuclear dynamics systems, life sciences, and environmental engineering.

In this work, we apply a novel and accurate Physics-Informed Neural Network Theory of Functional Connections (PINN-TFC) based framework, called Extreme Theory of Functional Connections (X-TFC), for data-physics-driven parameters’ discovery of problems modeled via Ordinary Differential Equations (ODEs). The proposed method merges the standard PINNs with a functional interpolation technique named Theory of Functional Connections (TFC). In particular, this work focuses on the capability of X-TFC in solving inverse problems to estimate the parameters governing the epidemiological compartmental models via a deterministic approach. The epidemiological compartmental models treated in this work are Susceptible-Infectious-Recovered (SIR), Susceptible-Exposed-Infectious-Recovered (SEIR), and Susceptible-Exposed-Infectious-Recovered-Susceptible (SEIRS). The results show the low computational times, the high accuracy, and effectiveness of the X-TFC method in performing data-driven parameters’ discovery systems modeled via parametric ODEs using unperturbed and perturbed data.

This work aims at accurately solve a thermal creep flow in a plane channel problem, as a class of rarefied-gas dynamics problems, using Physics-Informed Neural Networks (PINNs). We develop a particular PINN framework where the solution of the problem is represented by the Constrained Expressions (CE) prescribed by the recently introduced Theory of Functional Connections (TFC). CEs are represented by a sum of a free-function and a functional (e.g., function of functions) that analytically satisfies the problem constraints regardless to the choice of the free-function. The latter is represented by a shallow Neural Network (NN). Here, the resulting PINN-TFC approach is employed to solve the Boltzmann equation in the Bhatnagar–Gross–Krook approximation modeling the Thermal Creep Flow in a plane channel. We test three different types of shallow NNs, i.e., standard shallow NN, Chebyshev NN (ChNN), and Legendre NN (LeNN). For all the three cases the unknown solutions are computed via the extreme learning machine algorithm. We show that with all these networks we can achieve accurate solutions with a fast training time. In particular, with ChNN and LeNN we are able to match all the available benchmarks.

In this work, we introduce Pontryagin Neural Networks (PoNNs) and employ them to learn the optimal control actions for unconstrained and constrained optimal intercept problems. PoNNs represent a particular family of Physics-Informed Neural Networks (PINNs) specifically designed for tackling optimal control problems via the Pontryagin Minimum Principle (PMP) application (e.g., indirect method). The PMP provides first-order necessary optimality conditions, which result in a Two-Point Boundary Value Problem (TPBVP). More precisely, PoNNs learn the optimal control actions from the unknown solutions of the arising TPBVP, modeling them with Neural Networks (NNs). The characteristic feature of PoNNs is the use of PINNs combined with a functional interpolation technique, named the Theory of Functional Connections (TFC), which forms the so-called PINN-TFC based frameworks. According to these frameworks, the unknown solutions are modeled via the TFC’s constrained expressions using NNs as free functions. The results show that PoNNs can be successfully applied to learn optimal controls for the class of optimal intercept problems considered in this paper.