physics informed neural network
Physics Informed Neural Networks for design optimisation of diamond particle detectors for charged particle fast-tracking at high luminosity hadron colliders
Bombini, Alessandro, Rosa, Alessandro, Buti, Clarissa, Passaleva, Giovanni, Anderlini, Lucio
Future high-luminosity hadron colliders demand tracking detectors with extreme radiation tolerance, high spatial precision, and sub-nanosecond timing. 3D diamond pixel sensors offer these capabilities due to diamond's radiation hardness and high carrier mobility. Conductive electrodes, produced via femtosecond IR laser pulses, exhibit high resistivity that delays signal propagation. This effect necessitates extending the classical Ramo-Shockley weighting potential formalism. We model the phenomenon through a 3rd-order, 3+1D PDE derived as a quasi-stationary approximation of Maxwell's equations. The PDE is solved numerically and coupled with charge transport simulations for realistic 3D sensor geometries. A Mixture-of-Experts Physics-Informed Neural Network, trained on Spectral Method data, provides a meshless solver to assess timing degradation from electrode resistance.
Bayesian Physics Informed Neural Networks for Linear Inverse problems
Inverse problems arise almost everywhere in science and engineering where we need to infer on a quantity from indirect observation. The cases of medical, biomedical, and industrial imaging systems are the typical examples. A very high overview of classification of the inverse problems method can be: i) Analytical, ii) Regularization, and iii) Bayesian inference methods. Even if there are straight links between them, we can say that the Bayesian inference based methods are the most powerful, as they give the possibility of accounting for prior knowledge and can account for errors and uncertainties in general. One of the main limitations stay in computational costs in particular for high dimensional imaging systems. Neural Networks (NN), and in particular Deep NNs (DNN), have been considered as a way to push farther this limit. Physics Informed Neural Networks (PINN) concept integrates physical laws with deep learning techniques to enhance the speed, accuracy and efficiency of the above mentioned problems. In this work, a new Bayesian framework for the concept of PINN (BPINN) is presented and discussed which includes the deterministic one if we use the Maximum A Posteriori (MAP) estimation framework. We consider two cases of supervised and unsupervised for training step, obtain the expressions of the posterior probability of the unknown variables, and deduce the posterior laws of the NN's parameters. We also discuss about the challenges of implementation of these methods in real applications.
A Physics Informed Neural Network (PINN) Methodology for Coupled Moving Boundary PDEs
Kathane, Shivprasad, Karagadde, Shyamprasad
Physics-Informed Neural Network (PINN) is a novel multi-task learning framework useful for solving physical problems modeled using differential equations (DEs) by integrating the knowledge of physics and known constraints into the components of deep learning. A large class of physical problems in materials science and mechanics involve moving boundaries, where interface flux balance conditions are to be satisfied while solving DEs. Examples of such systems include free surface flows, shock propagation, solidification of pure and alloy systems etc. While recent research works have explored applicability of PINNs for an uncoupled system (such as solidification of pure system), the present work reports a PINN-based approach to solve coupled systems involving multiple governing parameters (energy and species, along with multiple interface balance equations). This methodology employs an architecture consisting of a separate network for each variable with a separate treatment of each phase, a training strategy which alternates between temporal learning and adaptive loss weighting, and a scheme which progressively reduces the optimisation space. While solving the benchmark problem of binary alloy solidification, it is distinctly successful at capturing the complex composition profile, which has a characteristic discontinuity at the interface and the resulting predictions align well with the analytical solutions. The procedure can be generalised for solving other transient multiphysics problems especially in the low-data regime and in cases where measurements can reveal new physics.
Discovering intrinsic multi-compartment pharmacometric models using Physics Informed Neural Networks
Pharmacometric models are pivotal across drug discovery and development, playing a decisive role in determining the progression of candidate molecules. However, the derivation of mathematical equations governing the system is a labor-intensive trial-and-error process, often constrained by tight timelines. In this study, we introduce PKINNs, a novel purely data-driven pharmacokinetic-informed neural network model. PKINNs efficiently discovers and models intrinsic multi-compartment-based pharmacometric structures, reliably forecasting their derivatives. The resulting models are both interpretable and explainable through Symbolic Regression methods. Our computational framework demonstrates the potential for closed-form model discovery in pharmacometric applications, addressing the labor-intensive nature of traditional model derivation. With the increasing availability of large datasets, this framework holds the potential to significantly enhance model-informed drug discovery.
Robust Physics Informed Neural Networks
ลoล, Marcin, Paszyลski, Maciej
We introduce a Robust version of the Physics-Informed Neural Networks (RPINNs) to approximate the Partial Differential Equations (PDEs) solution. Standard Physics Informed Neural Networks (PINN) takes into account the governing physical laws described by PDE during the learning process. The network is trained on a data set that consists of randomly selected points in the physical domain and its boundary. PINNs have been successfully applied to solve various problems described by PDEs with boundary conditions. The loss function in traditional PINNs is based on the strong residuals of the PDEs. This loss function in PINNs is generally not robust with respect to the true error. The loss function in PINNs can be far from the true error, which makes the training process more difficult. In particular, we do not know if the training process has already converged to the solution with the required accuracy. This is especially true if we do not know the exact solution, so we cannot estimate the true error during the training. This paper introduces a different way of defining the loss function. It incorporates the residual and the inverse of the Gram matrix, computed using the energy norm. We test our RPINN algorithm on two Laplace problems and one advection-diffusion problem in two spatial dimensions. We conclude that RPINN is a robust method. The proposed loss coincides well with the true error of the solution, as measured in the energy norm. Thus, we know if our training process goes well, and we know when to stop the training to obtain the neural network approximation of the solution of the PDE with the true error of required accuracy.
Physics Informed Neural Network for Option Pricing
The primary goal of option pricing is to work out the to the Black-Scholes equation for pricing American and European probability of whether the option is "in-the-money" or "outof-money" options. We test our approach on both simulated as when it is exercised. Option pricing is crucial well as real market data, compare it to analytical/numerical for traders, investors, and financial institutions in making benchmarks. Our model is able to accurately capture informed decisions about buying, selling, or hedging risks the price behavior on simulation data, while also exhibiting against certain underlying assets. Precise estimation of the reasonable performance for market data (with an improvement option price helps stabilize the financial market, as financial of 30% over benchmark). We also experiment with portfolios and strategies are adjusted according to the the architecture and learning process of our PINN model changes in the option price [2]. The problem of robust to provide more understanding of convergence and stability option pricing becomes even more pressing in the current issues that impact performance.
Transport Equation based Physics Informed Neural Network to predict the Yield Strength of Architected Materials
In this research, the application of the Physics-Informed Neural Network (PINN) model is explored to solve transport equation-based Partial Differential Equations (PDEs). The primary objective is to analyze the impact of different activation functions incorporated within the PINN model on its predictive performance, specifically assessing the Mean Squared Error (MSE) and Mean Absolute Error (MAE). The dataset used in the study consists of a varied set of input parameters related to strut diameter, unit cell size, and the corresponding yield stress values. Through this investigation the aim is to understand the effectiveness of the PINN model and the significance of choosing appropriate activation functions for solving complex PDEs in real-world applications. The outcomes suggest that the choice of activation function may have minimal influence on the model's predictive accuracy for this particular problem. The PINN model showcases exceptional generalization capabilities, indicating its capacity to avoid overfitting with the provided dataset. The research underscores the importance of striking a balance between performance and computational efficiency while selecting an activation function for specific real-world applications. These valuable findings contribute to advancing the understanding and potential adoption of PINN as an effective tool for solving challenging PDEs in diverse scientific and engineering domains.
Constructing Extreme Learning Machines with zero Spectral Bias
Joshi, Kaumudi, Snigdha, Vukka, Bhattacharya, Arya Kumar
The phenomena of Spectral Bias, where the higher frequency components of a function being learnt in a feedforward Artificial Neural Network (ANN) are seen to converge more slowly than the lower frequencies, is observed ubiquitously across ANNs. This has created technology challenges in fields where resolution of higher frequencies is crucial, like in Physics Informed Neural Networks (PINNs). Extreme Learning Machines (ELMs) that obviate an iterative solution process which provides the theoretical basis of Spectral Bias (SB), should in principle be free of the same. This work verifies the reliability of this assumption, and shows that it is incorrect. However, the structure of ELMs makes them naturally amenable to implementation of variants of Fourier Feature Embeddings, which have been shown to mitigate SB in ANNs. This approach is implemented and verified to completely eliminate SB, thus bringing into feasibility the application of ELMs for practical problems like PINNs where resolution of higher frequencies is essential.
Investigations on convergence behaviour of Physics Informed Neural Networks across spectral ranges and derivative orders
Deshpande, Mayank, Agarwal, Siddharth, Snigdha, Vukka, Bhattacharya, Arya Kumar
An important inference from Neural Tangent Kernel (NTK) theory is the existence of spectral bias (SB), that is, low frequency components of the target function of a fully connected Artificial Neural Network (ANN) being learnt significantly faster than the higher frequencies during training. This is established for Mean Square Error (MSE) loss functions with very low learning rate parameters. Physics Informed Neural Networks (PINNs) are designed to learn the solutions of differential equations (DE) of arbitrary orders; in PINNs the loss functions are obtained as the residues of the conservative form of the DEs and represent the degree of dissatisfaction of the equations. So there has been an open question whether (a) PINNs also exhibit SB and (b) if so, how does this bias vary across the orders of the DEs. In this work, a series of numerical experiments are conducted on simple sinusoidal functions of varying frequencies, compositions and equation orders to investigate these issues. It is firmly established that under normalized conditions, PINNs do exhibit strong spectral bias, and this increases with the order of the differential equation.
Physics Informed Neural Network for Dynamic Stress Prediction
Bolandi, Hamed, Sreekumar, Gautam, Li, Xuyang, Lajnef, Nizar, Boddeti, Vishnu Naresh
Structural failures are often caused by catastrophic events such as earthquakes and winds. As a result, it is crucial to predict dynamic stress distributions during highly disruptive events in real time. Currently available high-fidelity methods, such as Finite Element Models (FEMs), suffer from their inherent high complexity. Therefore, to reduce computational cost while maintaining accuracy, a Physics Informed Neural Network (PINN), PINN-Stress model, is proposed to predict the entire sequence of stress distribution based on Finite Element simulations using a partial differential equation (PDE) solver. Using automatic differentiation, we embed a PDE into a deep neural network's loss function to incorporate information from measurements and PDEs. The PINN-Stress model can predict the sequence of stress distribution in almost real-time and can generalize better than the model without PINN.