The deep operator network (DeepONet) is a popular neural operator architecture that has shown promise in solving partial differential equations (PDEs) by using deep neural networks to map between infinite-dimensional function spaces. In the absence of labeled datasets, we utilize the PDE residual loss to learn the physical system, an approach known as physics-informed DeepONet. This method faces significant computational challenges, primarily due to the curse of dimensionality, as the computational cost increases exponentially with finer discretization. In this paper, we introduce the Separable DeepONet framework to address these challenges and improve scalability for high-dimensional PDEs. Our approach involves a factorization technique where sub-networks handle individual one-dimensional coordinates, thereby reducing the number of forward passes and the size of the Jacobian matrix. By using forward-mode automatic differentiation, we further optimize the computational cost related to the Jacobian matrix. As a result, our modifications lead to a linear scaling of computational cost with discretization density, making Separable DeepONet suitable for high-dimensional PDEs. We validate the effectiveness of the separable architecture through three benchmark PDE models: the viscous Burgers equation, Biot's consolidation theory, and a parametrized heat equation. In all cases, our proposed framework achieves comparable or improved accuracy while significantly reducing computational time compared to conventional DeepONet. These results demonstrate the potential of Separable DeepONet in efficiently solving complex, high-dimensional PDEs, advancing the field of physics-informed machine learning.
We propose the Artificial Intelligence Velocimetry-Thermometry (AIVT) method to infer hidden temperature fields from experimental turbulent velocity data. This physics-informed machine learning method enables us to infer continuous temperature fields using only sparse velocity data, hence eliminating the need for direct temperature measurements. Specifically, AIVT is based on physics-informed Kolmogorov-Arnold Networks (not neural networks) and is trained by optimizing a combined loss function that minimizes the residuals of the velocity data, boundary conditions, and the governing equations. We apply AIVT to a unique set of experimental volumetric and simultaneous temperature and velocity data of Rayleigh-B\'enard convection (RBC) that we acquired by combining Particle Image Thermometry and Lagrangian Particle Tracking. This allows us to compare AIVT predictions and measurements directly. We demonstrate that we can reconstruct and infer continuous and instantaneous velocity and temperature fields from sparse experimental data at a fidelity comparable to direct numerical simulations (DNS) of turbulence. This, in turn, enables us to compute important quantities for quantifying turbulence, such as fluctuations, viscous and thermal dissipation, and QR distribution. This paradigm shift in processing experimental data using AIVT to infer turbulent fields at DNS-level fidelity is a promising avenue in breaking the current deadlock of quantitative understanding of turbulence at high Reynolds numbers, where DNS is computationally infeasible.
Deep neural networks (DNNs) have achieved exceptional performance across various fields by learning complex, nonlinear mappings from large-scale datasets. However, they face challenges such as high memory requirements and computational costs with limited interpretability. This paper introduces an approach where master equations of physics are converted into multilayered networks that are trained via backpropagation. The resulting general-purpose model effectively encodes data in the properties of the underlying physical system. In contrast to existing methods wherein a trained neural network is used as a computationally efficient alternative for solving physical equations, our approach directly treats physics equations as trainable models. We demonstrate this physical embedding concept with the Nonlinear Schr\"odinger Equation (NLSE), which acts as trainable architecture for learning complex patterns including nonlinear mappings and memory effects from data. The network embeds data representation in orders of magnitude fewer parameters than conventional neural networks when tested on time series data. Notably, the trained "Nonlinear Schr\"odinger Network" is interpretable, with all parameters having physical meanings. This interpretability offers insight into the underlying dynamics of the system that produced the data. The proposed method of replacing traditional DNN feature learning architectures with physical equations is also extended to the Gross-Pitaevskii Equation, demonstrating the broad applicability of the framework to other master equations of physics. Among our results, an ablation study quantifies the relative importance of physical terms such as dispersion, nonlinearity, and potential energy for classification accuracy. We also outline the limitations of this approach as it relates to generalizability.
The present study aims to extend the novel physics-informed machine learning approach, specifically the neural-integrated meshfree (NIM) method, to model finite-strain problems characterized by nonlinear elasticity and large deformations. To this end, the hyperelastic material models are integrated into the loss function of the NIM method by employing a consistent local variational formulation. Thanks to the inherent differentiable programming capabilities, NIM can circumvent the need for derivation of Newton-Raphson linearization of the variational form and the resulting tangent stiffness matrix, typically required in traditional numerical methods. Additionally, NIM utilizes a hybrid neural-numerical approximation encoded with partition-of-unity basis functions, coined NeuroPU, to effectively represent the displacement and streamline the training process. NeuroPU can also be used for approximating the unknown material fields, enabling NIM a unified framework for both forward and inverse modeling. For the imposition of displacement boundary conditions, this study introduces a new approach based on singular kernel functions into the NeuroPU approximation, leveraging its unique feature that allows for customized basis functions. Numerical experiments demonstrate the NIM method's capability in forward hyperelasticity modeling, achieving desirable accuracy, with errors among $10^{-3} \sim 10^{-5}$ in the relative $L_2$ norm, comparable to the well-established finite element solvers. Furthermore, NIM is applied to address the complex task of identifying heterogeneous mechanical properties of hyperelastic materials from strain data, validating its effectiveness in the inverse modeling of nonlinear materials. To leverage GPU acceleration, NIM is fully implemented on the JAX deep learning framework in this study, utilizing the accelerator-oriented array computation capabilities offered by JAX.
The Moving Sofa Problem, formally proposed by Leo Moser in 1966, seeks to determine the largest area of a two-dimensional shape that can navigate through an $L$-shaped corridor with unit width. The current best lower bound is about 2.2195, achieved by Joseph Gerver in 1992, though its global optimality remains unproven. In this paper, we investigate this problem by leveraging the universal approximation strength and computational efficiency of neural networks. We report two approaches, both supporting Gerver's conjecture that his shape is the unique global maximum. Our first approach is continuous function learning. We drop Gerver's assumptions that i) the rotation of the corridor is monotonic and symmetric and, ii) the trajectory of its corner as a function of rotation is continuously differentiable. We parameterize rotation and trajectory by independent piecewise linear neural networks (with input being some pseudo time), allowing for rich movements such as backward rotation and pure translation. We then compute the sofa area as a differentiable function of rotation and trajectory using our "waterfall" algorithm. Our final loss function includes differential terms and initial conditions, leveraging the principles of physics-informed machine learning. Under such settings, extensive training starting from diverse function initialization and hyperparameters is conducted, unexceptionally showing rapid convergence to Gerver's solution. Our second approach is via discrete optimization of the Kallus-Romik upper bound, which converges to the maximum sofa area from above as the number of rotation angles increases. We uplift this number to 10000 to reveal its asymptotic behavior. It turns out that the upper bound yielded by our models does converge to Gerver's area (within an error of 0.01% when the number of angles reaches 2100). We also improve their five-angle upper bound from 2.37 to 2.3337.
Compared to physics-based computational manufacturing, data-driven models such as machine learning (ML) are alternative approaches to achieve smart manufacturing. However, the data-driven ML's "black box" nature has presented a challenge to interpreting its outcomes. On the other hand, governing physical laws are not effectively utilized to develop data-efficient ML algorithms. To leverage the advantages of ML and physical laws of advanced manufacturing, this paper focuses on the development of a physics-informed machine learning (PIML) model by integrating neural networks and physical laws to improve model accuracy, transparency, and generalization with case studies in laser metal deposition (LMD).
Modeling thermal states for complex space missions, such as the surface exploration of airless bodies, requires high computation, whether used in ground-based analysis for spacecraft design or during onboard reasoning for autonomous operations. For example, a finite-element thermal model with hundreds of elements can take significant time to simulate, which makes it unsuitable for onboard reasoning during time-sensitive scenarios such as descent and landing, proximity operations, or in-space assembly. Further, the lack of fast and accurate thermal modeling drives thermal designs to be more conservative and leads to spacecraft with larger mass and higher power budgets. The emerging paradigm of physics-informed machine learning (PIML) presents a class of hybrid modeling architectures that address this challenge by combining simplified physics models with machine learning (ML) models resulting in models which maintain both interpretability and robustness. Such techniques enable designs with reduced mass and power through onboard thermal-state estimation and control and may lead to improved onboard handling of off-nominal states, including unplanned down-time. The PIML model or hybrid model presented here consists of a neural network which predicts reduced nodalizations (distribution and size of coarse mesh) given on-orbit thermal load conditions, and subsequently a (relatively coarse) finite-difference model operates on this mesh to predict thermal states. We compare the computational performance and accuracy of the hybrid model to a data-driven neural net model, and a high-fidelity finite-difference model of a prototype Earth-orbiting small spacecraft. The PIML based active nodalization approach provides significantly better generalization than the neural net model and coarse mesh model, while reducing computing cost by up to 1.7x compared to the high-fidelity model.
We introduce a method that combines neural operators, physics-informed machine learning, and standard numerical methods for solving PDEs. The proposed approach extends each of the aforementioned methods and unifies them within a single framework. We can parametrically solve partial differential equations in a data-free manner and provide accurate sensitivities, meaning the derivatives of the solution space with respect to the design space. These capabilities enable gradient-based optimization without the typical sensitivity analysis costs, unlike adjoint methods that scale directly with the number of response functions. Our Finite Operator Learning (FOL) approach uses an uncomplicated feed-forward neural network model to directly map the discrete design space (i.e. parametric input space) to the discrete solution space (i.e. finite number of sensor points in the arbitrary shape domain) ensuring compliance with physical laws by designing them into loss functions. The discretized governing equations, as well as the design and solution spaces, can be derived from any well-established numerical techniques. In this work, we employ the Finite Element Method (FEM) to approximate fields and their spatial derivatives. Subsequently, we conduct Sobolev training to minimize a multi-objective loss function, which includes the discretized weak form of the energy functional, boundary conditions violations, and the stationarity of the residuals with respect to the design variables. Our study focuses on the steady-state heat equation within heterogeneous materials that exhibits significant phase contrast and possibly temperature-dependent conductivity. The network's tangent matrix is directly used for gradient-based optimization to improve the microstructure's heat transfer characteristics. ...
The identification of a mathematical dynamics model is a crucial step in the designing process of a controller. However, it is often very difficult to identify the system's governing equations, especially in complex environments that combine physical laws of different disciplines. In this paper, we present a new approach that allows identifying an ordinary differential equation by means of a physics-informed machine learning algorithm. Our method introduces a special neural network that allows exploiting prior human knowledge to a certain degree and extends it autonomously, so that the resulting differential equations describe the system as accurately as possible. We validate the method on a Duffing oscillator with simulation data and, additionally, on a cascaded tank example with real-world data. Subsequently, we use the developed algorithm in a model-based reinforcement learning framework by alternately identifying and controlling a system to a target state. We test the performance by swinging-up an inverted pendulum on a cart.
This paper is aimed at using the newly developing field of physics informed machine learning (PIML) to develop models for predicting the remaining useful lifetime (RUL) aircraft engines. We consider the well-known benchmark NASA Commercial Modular Aero-Propulsion System Simulation (C-MAPSS) data as the main data for this paper, which consists of sensor outputs in a variety of different operating modes. C-MAPSS is a well-studied dataset with much existing work in the literature that address RUL prediction with classical and deep learning methods. In the absence of published empirical physical laws governing the C-MAPSS data, our approach first uses stochastic methods to estimate the governing physics models from the noisy time series data. In our approach, we model the various sensor readings as being governed by stochastic differential equations, and we estimate the corresponding transition density mean and variance functions of the underlying processes. We then augment LSTM (long-short term memory) models with the learned mean and variance functions during training and inferencing. Our PIML based approach is different from previous methods, and we use the data to first learn the physics. Our results indicate that PIML discovery and solutions methods are well suited for this problem and outperform previous data-only deep learning methods for this data set and task. Moreover, the framework developed herein is flexible, and can be adapted to other situations (other sensor modalities or combined multi-physics environments), including cases where the underlying physics is only partially observed or known.
Transportation is a major contributor to CO2 emissions, making it essential to optimize traffic networks to reduce energy-related emissions. This paper presents a novel approach to traffic network control using Differentiable Predictive Control (DPC), a physics-informed machine learning methodology. We base our model on the Macroscopic Fundamental Diagram (MFD) and the Networked Macroscopic Fundamental Diagram (NMFD), offering a simplified representation of citywide traffic networks. Our approach ensures compliance with system constraints by construction. In empirical comparisons with existing state-of-the-art Model Predictive Control (MPC) methods, our approach demonstrates a 4 order of magnitude reduction in computation time and an up to 37% improvement in traffic performance. Furthermore, we assess the robustness of our controller to scenario shifts and find that it adapts well to changes in traffic patterns. This work proposes more efficient traffic control methods, particularly in large-scale urban networks, and aims to mitigate emissions and alleviate congestion in the future.
Physics informed neural networks have been gaining popularity due to their unique ability to incorporate physics laws into data-driven models, ensuring that the predictions are not only consistent with empirical data but also align with domain-specific knowledge in the form of physics equations. The integration of physics principles enables the method to require less data while maintaining the robustness of deep learning in modelling complex dynamical systems. However, current PINN frameworks are not sufficiently mature for real-world ODE systems, especially those with extreme multi-scale behavior such as mosquito population dynamical modelling. In this research, we propose a PINN framework with several improvements for forward and inverse problems for ODE systems with a case study application in modelling the dynamics of mosquito populations. The framework tackles the gradient imbalance and stiff problems posed by mosquito ordinary differential equations. The method offers a simple but effective way to resolve the time causality issue in PINNs by gradually expanding the training time domain until it covers entire domain of interest. As part of a robust evaluation, we conduct experiments using simulated data to evaluate the effectiveness of the approach. Preliminary results indicate that physics-informed machine learning holds significant potential for advancing the study of ecological systems.
Kolmogorov-Arnold Networks (KANs) were recently introduced as an alternative representation model to MLP. Herein, we employ KANs to construct physics-informed machine learning models (PIKANs) and deep operator models (DeepOKANs) for solving differential equations for forward and inverse problems. In particular, we compare them with physics-informed neural networks (PINNs) and deep operator networks (DeepONets), which are based on the standard MLP representation. We find that although the original KANs based on the B-splines parameterization lack accuracy and efficiency, modified versions based on low-order orthogonal polynomials have comparable performance to PINNs and DeepONet although they still lack robustness as they may diverge for different random seeds or higher order orthogonal polynomials. We visualize their corresponding loss landscapes and analyze their learning dynamics using information bottleneck theory. Our study follows the FAIR principles so that other researchers can use our benchmarks to further advance this emerging topic.
Manufacturing complexities and uncertainties have impeded the transition from material prototypes to commercial batteries, making prototype verification critical to quality assessment. A fundamental challenge involves deciphering intertwined chemical processes to characterize degradation patterns and their quantitative relationship with battery performance. Here we show that a physics-informed machine learning approach can quantify and visualize temporally resolved losses concerning thermodynamics and kinetics only using electric signals. Our method enables non-destructive degradation pattern characterization, expediting temperature-adaptable predictions of entire lifetime trajectories, rather than end-of-life points. The verification speed is 25 times faster yet maintaining 95.1% accuracy across temperatures. Such advances facilitate more sustainable management of defective prototypes before massive production, establishing a 19.76 billion USD scrap material recycling market by 2060 in China. By incorporating stepwise charge acceptance as a measure of the initial manufacturing variability of normally identical batteries, we can immediately identify long-term degradation variations. We attribute the predictive power to interpreting machine learning insights using material-agnostic featurization taxonomy for degradation pattern decoupling. Our findings offer new possibilities for dynamic system analysis, such as battery prototype degradation, demonstrating that complex pattern evolutions can be accurately predicted in a non-destructive and data-driven fashion by integrating physics-informed machine learning.
The mass loss of the polar ice sheets contributes considerably to ongoing sea-level rise and changing ocean circulation, leading to coastal flooding and risking the homes and livelihoods of tens of millions of people globally. To address the complex problem of ice behavior, physical models and data-driven models have been proposed in the literature. Although traditional physical models can guarantee physically meaningful results, they have limitations in producing high-resolution results. On the other hand, data-driven approaches require large amounts of high-quality and labeled data, which is rarely available in the polar regions. Hence, as a promising framework that leverages the advantages of physical models and data-driven methods, physics-informed machine learning (PIML) has been widely studied in recent years. In this paper, we review the existing algorithms of PIML, provide our own taxonomy based on the methods of combining physics and data-driven approaches, and analyze the advantages of PIML in the aspects of accuracy and efficiency. Further, our survey discusses some current challenges and highlights future opportunities, including PIML on sea ice studies, PIML with different combination methods and backbone networks, and neural operator methods.
Solving parametric Partial Differential Equations (PDEs) for a broad range of parameters is a critical challenge in scientific computing. To this end, neural operators, which \textcolor{black}{predicts the PDE solution with variable PDE parameter inputs}, have been successfully used. However, the training of neural operators typically demands large training datasets, the acquisition of which can be prohibitively expensive. To address this challenge, physics-informed training can offer a cost-effective strategy. However, current physics-informed neural operators face limitations, either in handling irregular domain shapes or in in generalizing to various discrete representations of PDE parameters. In this research, we introduce a novel physics-informed model architecture which can generalize to various discrete representations of PDE parameters and irregular domain shapes. Particularly, inspired by deep operator neural networks, our model involves a discretization-independent learning of parameter embedding repeatedly, and this parameter embedding is integrated with the response embeddings through multiple compositional layers, for more expressivity. Numerical results demonstrate the accuracy and efficiency of the proposed method. All the codes and data related to this work are available on GitHub: https://github.com/WeihengZ/PI-DCON.
The modern power grid is witnessing a shift in operations from traditional control methods to more advanced operational mechanisms. Due to the nonconvex nature of the Alternating Current Optimal Power Flow (ACOPF) problem and the need for operations with better granularity in the modern smart grid, system operators require a more efficient and reliable ACOPF solver. While data-driven ACOPF methods excel in directly inferring the optimal solution based on power grid demand, achieving both feasibility and optimality remains a challenge due to the NP-hardness of the problem. In this paper, we propose a physics-informed machine learning model and a feasibility calibration algorithm to produce solutions for the ACOPF problem. Notably, the machine learning model produces solutions with a 0.5\% and 1.4\% optimality gap for IEEE bus 14 and 118 grids, respectively. The feasibility correction algorithm converges for all test scenarios on bus 14 and achieves a 92.2% convergence rate on bus 118.
This paper proposes a semi-supervised methodology for training physics-informed machine learning methods. This includes self-training of physics-informed neural networks and physics-informed Gaussian processes in isolation, and the integration of the two via co-training. We demonstrate via extensive numerical experiments how these methods can ameliorate the issue of propagating information forward in time, which is a common failure mode of physics-informed machine learning.
With the rise of machine learning, hyperspectral image (HSI) unmixing problems have been tackled using learning-based methods. However, physically meaningful unmixing results are not guaranteed without proper guidance. In this work, we propose an unsupervised framework inspired by deep image prior (DIP) that can be used for both linear and nonlinear blind unmixing models. The framework consists of three modules: 1) an Endmember estimation module using DIP (EDIP); 2) an Abundance estimation module using DIP (ADIP); and 3) a mixing module (MM). EDIP and ADIP modules generate endmembers and abundances, respectively, while MM produces a reconstruction of the HSI observations based on the postulated unmixing model. We introduce a composite loss function that applies to both linear and nonlinear unmixing models to generate meaningful unmixing results. In addition, we propose an adaptive loss weight strategy for better unmixing results in nonlinear mixing scenarios. The proposed methods outperform state-of-the-art unmixing algorithms in extensive experiments conducted on both synthetic and real datasets.
This paper presents a SYCL implementation of Multi-Layer Perceptrons (MLPs), which targets and is optimized for the Intel Data Center GPU Max 1550. To increase the performance, our implementation minimizes the slow global memory accesses by maximizing the data reuse within the general register file and the shared local memory by fusing the operations in each layer of the MLP. We show with a simple roofline model that this results in a significant increase in the arithmetic intensity, leading to improved performance, especially for inference. We compare our approach to a similar CUDA implementation for MLPs and show that our implementation on the Intel Data Center GPU outperforms the CUDA implementation on Nvidia's H100 GPU by a factor up to 2.84 in inference and 1.75 in training. The paper also showcases the efficiency of our SYCL implementation in three significant areas: Image Compression, Neural Radiance Fields, and Physics-Informed Machine Learning. In all cases, our implementation outperforms the off-the-shelf Intel Extension for PyTorch (IPEX) implementation on the same Intel GPU by up to a factor of 30 and the CUDA PyTorch version on Nvidia's H100 GPU by up to a factor 19. The code can be found at https://github.com/intel/tiny-dpcpp-nn.