3.1. Physics-Informed Neural Networks
The PINN is a scientific machine learning framework that has been successfully applied to a wide range of problems, including boundary value problems, fractional equations, integro-differential equations, and stochastic PDEs. It utilizes the powerful function approximation capabilities of neural networks to provide an innovative approach to solving the inverse Cauchy problem. Unlike earlier neural network-based solvers, which primarily aimed to approximate solutions directly, the PINN is often employed to infer unknown parameters or fields in the governing equations by embedding physical laws into the learning process. The PINN approximates the solutions to boundary value problems (BVPs) by training neural networks to minimize a loss function that incorporates both data discrepancies and the residuals of the governing equations. By integrating physical constraints, the PINN enables the model to better capture the underlying structure of the solution. This integration of domain knowledge significantly improves the model’s interpretability and generalization capabilities compared to traditional neural networks.
The application of the PINN in solving various BVPs becomes increasingly mature.
Figure 2 illustrates the basic framework of the PINN for solving the inverse Cauchy problem of the Helmholtz equation given in
Section 2. The framework comprises four primary elements: a deep neural network (DNN), automatic differentiation (AD), physical information, and a feedback learning mechanism.
To effectively guide the approximation of the source point coefficient vector, we define the following loss function, which incorporates the given boundary condition data:
where
and
correspond to the loss functions for the Dirichlet and Neumann boundary condition data, respectively.
corresponds to the loss functions for the governing equation.
is the numerical solution.
The physical information component integrates governing physical laws, including boundary condition data and governing equations, directly into the learning process. By incorporating these physical constraints into the loss function, the model ensures that its solutions inherently satisfy the underlying physics, significantly enhancing predictive accuracy and physical consistency. The feedback learning mechanism iteratively updates the model parameters, guided by the prediction errors. This process promotes convergence and accuracy while guaranteeing that solutions remain consistent with physical constraints and fundamental mathematical principles.
The DNN adopts a fully connected feed-forward architecture structurally organized into three distinct components: an input layer, multiple hidden layers, and an output layer. Within the hidden layers, each neuron applies a mathematical transformation that involves three key components: trainable weights, bias terms, and differentiable activation functions. The use of nonlinear activation functions endows the network with expressive power, enabling it to capture complex and highly nonlinear input-output relationships through hierarchical feature abstraction. This enhances the model’s ability to extract intricate patterns from data, which is crucial for accurately approximating the solutions to complex physical problems.
A portion of the hidden layer structure is illustrated in
Figure 3. For each hidden layer, the relationship between the output vector
and the input vector
can be expressed as follows:
where
and
denote the trainable parameters of the network, namely the weights and biases. The function
acts as an activation function, providing the necessary nonlinearity. Each neuron in the hidden layer is equipped with this function, allowing the network to capture nonlinear mappings.
The implementation of the PINN for solving the inverse Cauchy problem of the Helmholtz equation involves a series of crucial steps. First, a DNN is constructed to approximate the solutions of Helmholtz equation. A gradient-based optimization method is then employed to update the neural network parameters, and iteration proceeds until the loss function converges to the preset threshold. Ultimately, the trained network yields a numerical solution to the inverse Cauchy problem of Helmholtz equation. The primary workflow of the algorithm is outlined in Algorithm 1.
Algorithm 1: The PINN for solving the inverse Cauchy problem of Helmholtz equation |
1. Input:Define governing equation, computational domain and boundary conditions. Discretize the domain into a set of collocation and boundary nodes. Define the neural network parameters including layers, neurons per layer, learning rate, activation function, and training epochs. 2. Initialization:3. PINN implementation:Build a DNN to approximate the solution . Use the AD to calculate the derivatives of various orders involved in the loss function. Construct a loss function incorporating boundary residuals and governing equation constraints. Update the network parameters by minimizing the loss function. Perform iterative optimization until the loss function satisfies the predefined tolerance criterion. 4. Output: |
3.2. Boundary Knot Method Using the Moore–Penrose Inverse
The BKM is an inherently meshless boundary-type numerical technique for solving the inverse Cauchy problem of Helmholtz equation. Unlike traditional mesh-based methods, the BKM does not require discretization of the entire computational domain, significantly simplifying the modeling process. Moreover, it avoids the need for complex numerical integration, as it provides direct numerical solutions. The BKM can be regarded as a variation in Kansa’s method, wherein radial basis functions are constructed based on the general solution of governing equation. This approach enables exponential convergence rates and mitigates the loss of accuracy commonly associated with conventional RBFs. We next present a concise overview of the approach.
The non-singular general solution of homogeneous Helmholtz is given by
where
represents the zero-order Bessel function of the first kind,
and
denote field points and source points, respectively.
By using the non-singular general solution in Equation (8) as the radial basis function, the numerical solution of Equation (1) can be represented by
where
denotes the total number of source points
, and
is the source point coefficient vector.
By collocating boundary Equations (2) and (3) at all collocation knots on accessible boundary B
1, the following system of equations can be obtained,
Equations (10) and (11) can be written in the following
matrix system,
where
is a coefficient matrix derived from nonsingular general solutions,
denotes the vector formed by the accessible boundary values.
It should be noted that Equation (12) is a dense and ill-posed system, for which traditional methods struggle to provide accurate solutions. An effective strategy is to use the Moore–Penrose inverse, particularly in handling ill-posed or underdetermined systems. Accordingly, the vector
in Equation (12) can be computed using the following expression,
where
is the Moore–Penrose inverse (MPI) of the matrix
, and can be calculated using the MATLAB2022b command “
pinv(
,
tol)”,
tol is the singular value tolerance. With
determined, the physical values at the inaccessible boundary nodes and interior points are evaluated by the following formulas,
Algorithm 2 provides a detailed description of the BKM-MPI for solving inverse Cauchy problems of Helmholtz equation.
Algorithm 2: The BKM-MPI for solving inverse Cauchy problems of Helmholtz equation |
1. Input:Define governing equation, computational domain and boundary conditions. Identify the non-singular general solution of the governing equation. Discretize the domain into a set of collocation and boundary nodes (source points). 2. Calculate source point coefficient vector:Construct matrix using boundary and source point positions with non-singular general solutions. Assemble vector using accessible boundary conditions. Solve the linear system using the MPI to obtain unknown coefficients . 3. Output: |
3.3. Boundary Knot Neural Networks
The BKM primarily characterizes the influence of source points on field points by employing non-singular general solutions. It determines the coefficient vector associated with each source point using boundary nodes and the corresponding boundary condition data. Once the coefficient vector is established, physical quantities at any point in the domain can be efficiently computed. The method has several advantages, including theoretical simplicity, high numerical accuracy, and ease of implementation. However, in the context of the inverse Cauchy problem, where the available boundary condition data are incomplete or uncertain, the matrix formed by the non-singular general solution may not be a square matrix. This can lead to instability in direct computations using the BKM.
To address the limitation, this paper integrates the PINN into the traditional BKM, resulting in a novel approach termed BKNN. The stability of BKNN in addressing ill-posed inverse problems is attributed to several key features. First, the network incorporates physics-informed constraints by embedding the boundary conditions on measurable boundaries into the loss function, providing an effective regularization that reduces sensitivity to noise and incomplete boundary data. Second, the meshless representation based on non-singular boundary kernels enables smooth, global approximations, avoiding numerical instabilities commonly encountered in traditional methods. Furthermore, as a machine learning-based approach, the BKNN inherently employs optimization and iterative solution mechanisms, which further enhance its ability to reliably resolve ill-posed problems. Together, these aspects allow the BKNN to generate accurate and physically consistent solutions without resorting to additional complex processing techniques.
Figure 4 illustrates the BKNN framework. The BKNN architecture consists of four main components: a deep neural network, a BKM part, a loss function based on boundary conditions and backpropagation algorithms. The neural networks take the source points as input and output the corresponding source point coefficient vector. By training the neural networks, the weights and biases in the BKNN are updated simultaneously. The source point coefficient vector is acquired once the loss converges to a predefined threshold.
By employing the BKNN method, the proposed approach effectively circumvents the challenge of solving ill-conditioned systems in the traditional BKM. Moreover, the inherent flexibility of neural networks enables the method to adapt to complex geometries and boundary condition data, significantly mitigating the impact of boundary perturbations on the results. The BKNN adaptability allows it to be readily applied to a broad spectrum of problems without requiring significant underlying model changes. For three-dimensional problems, the two-dimensional non-singular general solution and coordinates should be substituted with their three-dimensional non-singular general solution and coordinates to perform iterative calculations within the framework.
Algorithm 3 lists the BKNN procedure for solving inverse Cauchy problems of the Helmholtz equation.
Algorithm 3: The BKNN for solving inverse Cauchy problems of the Helmholtz equation |
1. Input:Define computational domain and boundary conditions. Identify the non-singular general solutions of the governing equation. Discretize the domain into a set of boundary nodes (source points). Define the neural network parameters including layers, neurons per layer, learning rate, activation function, and training epochs. 2. Initialization:3. BKNN implementation:Build a DNN to evaluate the source point coefficient vector . Construct matrix using boundary and source point positions with non-singular general solutions. Approximate the solution using the BKM formula. Assemble vector using accessible boundary conditions. Construct a loss function incorporating boundary residuals. Update the network parameters by minimizing the loss function. Perform iterative optimization until the loss function satisfies the predefined tolerance criterion. Obtain the optimal source point coefficient vector . 4. Output: |