DON-LSTM: Multi-Resolution Learning with DeepONets and Long Short-Term Memory Neural Networks

Deep operator networks (DeepONets, DONs) offer a distinct advantage over traditional neural networks in their ability to be trained on multi-resolution data. This property becomes especially relevant in real-world scenarios where high-resolution measurements are difficult to obtain, while low-resolution data is more readily available. Nevertheless, DeepONets alone often struggle to capture and maintain dependencies over long sequences compared to other state-of-the-art algorithms. We propose a novel architecture, named DON-LSTM, which extends the DeepONet with a long short-term memory network (LSTM). Combining these two architectures, we equip the network with explicit mechanisms to leverage multi-resolution data, as well as capture temporal dependencies in long sequences. We test our method on long-time-evolution modeling of multiple non-linear systems and show that the proposed multi-resolution DON-LSTM achieves significantly lower generalization error and requires fewer high-resolution samples compared to its vanilla counterparts.

Sound propagation in realistic interactive 3D scenes with parameterized sources using deep neural operators

We address the challenge of sound propagation simulations in $3$D virtual rooms with moving sources, which have applications in virtual/augmented reality, game audio, and spatial computing. Solutions to the wave equation can describe wave phenomena such as diffraction and interference. However, simulating them using conventional numerical discretization methods with hundreds of source and receiver positions is intractable, making stimulating a sound field with moving sources impractical. To overcome this limitation, we propose using deep operator networks to approximate linear wave-equation operators. This enables the rapid prediction of sound propagation in realistic 3D acoustic scenes with moving sources, achieving millisecond-scale computations. By learning a compact surrogate model, we avoid the offline calculation and storage of impulse responses for all relevant source/listener pairs. Our experiments, including various complex scene geometries, show good agreement with reference solutions, with root mean squared errors ranging from 0.02 Pa to 0.10 Pa. Notably, our method signifies a paradigm shift as no prior machine learning approach has achieved precise predictions of complete wave fields within realistic domains. We anticipate that our findings will drive further exploration of deep neural operator methods, advancing research in immersive user experiences within virtual environments.

Learning in latent spaces improves the predictive accuracy of deep neural operators

Operator regression provides a powerful means of constructing discretization-invariant emulators for partial-differential equations (PDEs) describing physical systems. Neural operators specifically employ deep neural networks to approximate mappings between infinite-dimensional Banach spaces. As data-driven models, neural operators require the generation of labeled observations, which in cases of complex high-fidelity models result in high-dimensional datasets containing redundant and noisy features, which can hinder gradient-based optimization. Mapping these high-dimensional datasets to a low-dimensional latent space of salient features can make it easier to work with the data and also enhance learning. In this work, we investigate the latent deep operator network (L-DeepONet), an extension of standard DeepONet, which leverages latent representations of high-dimensional PDE input and output functions identified with suitable autoencoders. We illustrate that L-DeepONet outperforms the standard approach in terms of both accuracy and computational efficiency across diverse time-dependent PDEs, e.g., modeling the growth of fracture in brittle materials, convective fluid flows, and large-scale atmospheric flows exhibiting multiscale dynamical features.

Real-Time Prediction of Multiple Output States in Diesel Engines using a Deep Neural Operator Framework

We develop a data-driven deep neural operator framework to approximate multiple output states for a diesel engine and generate real-time predictions with reasonable accuracy. As emission norms become more stringent, the need for fast and accurate models that enable analysis of system behavior have become an essential requirement for system development. The fast transient processes involved in the operation of a combustion engine make it difficult to develop accurate physics-based models for such systems. As an alternative to physics based models, we develop an operator-based regression model (DeepONet) to learn the relevant output states for a mean-value gas flow engine model using the engine operating conditions as input variables. We have adopted a mean-value model as a benchmark for comparison, simulated using Simulink. The developed approach necessitates using the initial conditions of the output states to predict the accurate sequence over the temporal domain. To this end, a sequence-to-sequence approach is embedded into the proposed framework. The accuracy of the model is evaluated by comparing the prediction output to ground truth generated from Simulink model. The maximum $\mathcal L_2$ relative error observed was approximately $6.5\%$. The sensitivity of the DeepONet model is evaluated under simulated noise conditions and the model shows relatively low sensitivity to noise. The uncertainty in model prediction is further assessed by using a mean ensemble approach. The worst-case error at the $(\mu + 2\sigma)$ boundary was found to be $12\%$. The proposed framework provides the ability to predict output states in real-time and enables data-driven learning of complex input-output operator mapping. As a result, this model can be applied during initial development stages, where accurate models may not be available.

LNO: Laplace Neural Operator for Solving Differential Equations

We introduce the Laplace neural operator (LNO), which leverages the Laplace transform to decompose the input space. Unlike the Fourier Neural Operator (FNO), LNO can handle non-periodic signals, account for transient responses, and exhibit exponential convergence. LNO incorporates the pole-residue relationship between the input and the output space, enabling greater interpretability and improved generalization ability. Herein, we demonstrate the superior approximation accuracy of a single Laplace layer in LNO over four Fourier modules in FNO in approximating the solutions of three ODEs (Duffing oscillator, driven gravity pendulum, and Lorenz system) and three PDEs (Euler-Bernoulli beam, diffusion equation, and reaction-diffusion system). Notably, LNO outperforms FNO in capturing transient responses in undamped scenarios. For the linear Euler-Bernoulli beam and diffusion equation, LNO's exact representation of the pole-residue formulation yields significantly better results than FNO. For the nonlinear reaction-diffusion system, LNO's errors are smaller than those of FNO, demonstrating the effectiveness of using system poles and residues as network parameters for operator learning. Overall, our results suggest that LNO represents a promising new approach for learning neural operators that map functions between infinite-dimensional spaces.

Neural Operator Learning for Long-Time Integration in Dynamical Systems with Recurrent Neural Networks

Deep neural networks are an attractive alternative for simulating complex dynamical systems, as in comparison to traditional scientific computing methods, they offer reduced computational costs during inference and can be trained directly from observational data. Existing methods, however, cannot extrapolate accurately and are prone to error accumulation in long-time integration. Herein, we address this issue by combining neural operators with recurrent neural networks to construct a novel and effective architecture, resulting in superior accuracy compared to the state-of-the-art. The new hybrid model is based on operator learning while offering a recurrent structure to capture temporal dependencies. The integrated framework is shown to stabilize the solution and reduce error accumulation for both interpolation and extrapolation of the Korteweg-de Vries equation.

Learning stiff chemical kinetics using extended deep neural operators

We utilize neural operators to learn the solution propagator for the challenging chemical kinetics equation. Specifically, we apply the deep operator network (DeepONet) along with its extensions, such as the autoencoder-based DeepONet and the newly proposed Partition-of-Unity (PoU-) DeepONet to study a range of examples, including the ROBERS problem with three species, the POLLU problem with 25 species, pure kinetics of the syngas skeletal model for $CO/H_2$ burning, which contains 11 species and 21 reactions and finally, a temporally developing planar $CO/H_2$ jet flame (turbulent flame) using the same syngas mechanism. We have demonstrated the advantages of the proposed approach through these numerical examples. Specifically, to train the DeepONet for the syngas model, we solve the skeletal kinetic model for different initial conditions. In the first case, we parametrize the initial conditions based on equivalence ratios and initial temperature values. In the second case, we perform a direct numerical simulation of a two-dimensional temporally developing $CO/H_2$ jet flame. Then, we initialize the kinetic model by the thermochemical states visited by a subset of grid points at different time snapshots. Stiff problems are computationally expensive to solve with traditional stiff solvers. Thus, this work aims to develop a neural operator-based surrogate model to solve stiff chemical kinetics. The operator, once trained offline, can accurately integrate the thermochemical state for arbitrarily large time advancements, leading to significant computational gains compared to stiff integration schemes.

Physics-Informed Deep Neural Operator Networks

Standard neural networks can approximate general nonlinear operators, represented either explicitly by a combination of mathematical operators, e.g., in an advection-diffusion-reaction partial differential equation, or simply as a black box, e.g., a system-of-systems. The first neural operator was the Deep Operator Network (DeepONet), proposed in 2019 based on rigorous approximation theory. Since then, a few other less general operators have been published, e.g., based on graph neural networks or Fourier transforms. For black box systems, training of neural operators is data-driven only but if the governing equations are known they can be incorporated into the loss function during training to develop physics-informed neural operators. Neural operators can be used as surrogates in design problems, uncertainty quantification, autonomous systems, and almost in any application requiring real-time inference. Moreover, independently pre-trained DeepONets can be used as components of a complex multi-physics system by coupling them together with relatively light training. Here, we present a review of DeepONet, the Fourier neural operator, and the graph neural operator, as well as appropriate extensions with feature expansions, and highlight their usefulness in diverse applications in computational mechanics, including porous media, fluid mechanics, and solid mechanics.

Neural operator learning of heterogeneous mechanobiological insults contributing to aortic aneurysms

Thoracic aortic aneurysm (TAA) is a localized dilatation of the aorta resulting from compromised wall composition, structure, and function, which can lead to life-threatening dissection or rupture. Several genetic mutations and predisposing factors that contribute to TAA have been studied in mouse models to characterize specific changes in aortic microstructure and material properties that result from a wide range of mechanobiological insults. Assessments of TAA progression in vivo is largely limited to measurements of aneurysm size and growth rate. It has been shown that aortic geometry alone is not sufficient to predict the patient-specific progression of TAA but computational modeling of the evolving biomechanics of the aorta could predict future geometry and properties from initiating insults. In this work, we present an integrated framework to train a deep operator network (DeepONet)-based surrogate model to identify contributing factors for TAA by using FE-based datasets of aortic growth and remodeling resulting from prescribed insults. For training data, we investigate multiple types of TAA risk factors and spatial distributions within a constrained mixture model to generate axial--azimuthal maps of aortic dilatation and distensibility. The trained network is then capable of predicting the initial distribution and extent of the insult from a given set of dilatation and distensibility information. Two DeepONet frameworks are proposed, one trained on sparse information and one on full-field grayscale images, to gain insight into a preferred neural operator-based approach. Performance of the surrogate models is evaluated through multiple simulations carried out on insult distributions varying from fusiform to complex. We show that the proposed approach can predict patient-specific mechanobiological insult profile with a high accuracy, particularly when based on full-field images.

Deep transfer learning for partial differential equations under conditional shift with DeepONet

Traditional machine learning algorithms are designed to learn in isolation, i.e. address single tasks. The core idea of transfer learning (TL) is that knowledge gained in learning to perform one task (source) can be leveraged to improve learning performance in a related, but different, task (target). TL leverages and transfers previously acquired knowledge to address the expense of data acquisition and labeling, potential computational power limitations, and the dataset distribution mismatches. Although significant progress has been made in the fields of image processing, speech recognition, and natural language processing (for classification and regression) for TL, little work has been done in the field of scientific machine learning for functional regression and uncertainty quantification in partial differential equations. In this work, we propose a novel TL framework for task-specific learning under conditional shift with a deep operator network (DeepONet). Inspired by the conditional embedding operator theory, we measure the statistical distance between the source domain and the target feature domain by embedding conditional distributions onto a reproducing kernel Hilbert space. Task-specific operator learning is accomplished by fine-tuning task-specific layers of the target DeepONet using a hybrid loss function that allows for the matching of individual target samples while also preserving the global properties of the conditional distribution of target data. We demonstrate the advantages of our approach for various TL scenarios involving nonlinear PDEs under conditional shift. Our results include geometry domain adaptation and show that the proposed TL framework enables fast and efficient multi-task operator learning, despite significant differences between the source and target domains.