Computational imaging has been revolutionized by compressed sensing algorithms, which offer guaranteed uniqueness, convergence, and stability properties. Model-based deep learning methods that combine imaging physics with learned regularization priors have emerged as more powerful alternatives for image recovery. The main focus of this paper is to introduce a memory efficient model-based algorithm with similar theoretical guarantees as CS methods. The proposed iterative algorithm alternates between a gradient descent involving the score function and a conjugate gradient algorithm to encourage data consistency. The score function is modeled as a monotone convolutional neural network. Our analysis shows that the monotone constraint is necessary and sufficient to enforce the uniqueness of the fixed point in arbitrary inverse problems. In addition, it also guarantees the convergence to a fixed point, which is robust to input perturbations. We introduce two implementations of the proposed MOL framework, which differ in the way the monotone property is imposed. The first approach enforces a strict monotone constraint, while the second one relies on an approximation. The guarantees are not valid for the second approach in the strict sense. However, our empirical studies show that the convergence and robustness of both approaches are comparable, while the less constrained approximate implementation offers better performance. The proposed deep equilibrium formulation is significantly more memory efficient than unrolled methods, which allows us to apply it to 3D or 2D+time problems that current unrolled algorithms cannot handle.
Supervised learning in function spaces is an emerging area of machine learning research with applications to the prediction of complex physical systems such as fluid flows, solid mechanics, and climate modeling. By directly learning maps (operators) between infinite dimensional function spaces, these models are able to learn discretization invariant representations of target functions. A common approach is to represent such target functions as linear combinations of basis elements learned from data. However, there are simple scenarios where, even though the target functions form a low dimensional submanifold, a very large number of basis elements is needed for an accurate linear representation. Here we present NOMAD, a novel operator learning framework with a nonlinear decoder map capable of learning finite dimensional representations of nonlinear submanifolds in function spaces. We show this method is able to accurately learn low dimensional representations of solution manifolds to partial differential equations while outperforming linear models of larger size. Additionally, we compare to state-of-the-art operator learning methods on a complex fluid dynamics benchmark and achieve competitive performance with a significantly smaller model size and training cost.
Data-driven learning of partial differential equations' solution operators has recently emerged as a promising paradigm for approximating the underlying solutions. The solution operators are usually parameterized by deep learning models that are built upon problem-specific inductive biases. An example is a convolutional or a graph neural network that exploits the local grid structure where functions' values are sampled. The attention mechanism, on the other hand, provides a flexible way to implicitly exploit the patterns within inputs, and furthermore, relationship between arbitrary query locations and inputs. In this work, we present an attention-based framework for data-driven operator learning, which we term Operator Transformer (OFormer). Our framework is built upon self-attention, cross-attention, and a set of point-wise multilayer perceptrons (MLPs), and thus it makes few assumptions on the sampling pattern of the input function or query locations. We show that the proposed framework is competitive on standard benchmark problems and can flexibly be adapted to randomly sampled input.
Existing architectures for operator learning require that the number and locations of sensors (where the input functions are evaluated) remain the same across all training and test samples, significantly restricting the range of their applicability. We address this issue by proposing a novel operator learning framework, termed Variable-Input Deep Operator Network (VIDON), which allows for random sensors whose number and locations can vary across samples. VIDON is invariant to permutations of sensor locations and is proved to be universal in approximating a class of continuous operators. We also prove that VIDON can efficiently approximate operators arising in PDEs. Numerical experiments with a diverse set of PDEs are presented to illustrate the robust performance of VIDON in learning operators.
We propose a very general framework for deriving rigorous bounds on the approximation error for physics-informed neural networks (PINNs) and operator learning architectures such as DeepONets and FNOs as well as for physics-informed operator learning. These bounds guarantee that PINNs and (physics-informed) DeepONets or FNOs will efficiently approximate the underlying solution or solution operator of generic partial differential equations (PDEs). Our framework utilizes existing neural network approximation results to obtain bounds on more involved learning architectures for PDEs. We illustrate the general framework by deriving the first rigorous bounds on the approximation error of physics-informed operator learning and by showing that PINNs (and physics-informed DeepONets and FNOs) mitigate the curse of dimensionality in approximating nonlinear parabolic PDEs.
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.
With massive advancements in sensor technologies and Internet-of-things, we now have access to terabytes of historical data; however, there is a lack of clarity in how to best exploit the data to predict future events. One possible alternative in this context is to utilize operator learning algorithm that directly learn nonlinear mapping between two functional spaces; this facilitates real-time prediction of naturally arising complex evolutionary dynamics. In this work, we introduce a novel operator learning algorithm referred to as the Wavelet Neural Operator (WNO) that blends integral kernel with wavelet transformation. WNO harnesses the superiority of the wavelets in time-frequency localization of the functions and enables accurate tracking of patterns in spatial domain and effective learning of the functional mappings. Since the wavelets are localized in both time/space and frequency, WNO can provide high spatial and frequency resolution. This offers learning of the finer details of the parametric dependencies in the solution for complex problems. The efficacy and robustness of the proposed WNO are illustrated on a wide array of problems involving Burger's equation, Darcy flow, Navier-Stokes equation, Allen-Cahn equation, and Wave advection equation. Comparative study with respect to existing operator learning frameworks are presented. Finally, the proposed approach is used to build a digital twin capable of predicting Earth's air temperature based on available historical data.
Neural operators generalize classical neural networks to maps between infinite-dimensional spaces, e.g., function spaces. Prior works on neural operators proposed a series of novel methods to learn such maps and demonstrated unprecedented success in learning solution operators of partial differential equations. Due to their close proximity to fully connected architectures, these models mainly suffer from high memory usage and are generally limited to shallow deep learning models. In this paper, we propose U-shaped Neural Operator (U-NO), a U-shaped memory enhanced architecture that allows for deeper neural operators. U-NOs exploit the problem structures in function predictions and demonstrate fast training, data efficiency, and robustness with respect to hyperparameters choices. We study the performance of U-NO on PDE benchmarks, namely, Darcy's flow law and the Navier-Stokes equations. We show that U-NO results in an average of 26% and 44% prediction improvement on Darcy's flow and turbulent Navier-Stokes equations, respectively, over the state of the art. On Navier-Stokes 3D spatiotemporal operator learning task, we show U-NO provides 37% improvement over the state of art methods.
Deep operator learning has emerged as a promising tool for reduced-order modelling and PDE model discovery. Leveraging the expressive power of deep neural networks, especially in high dimensions, such methods learn the mapping between functional state variables. While proposed methods have assumed noise only in the dependent variables, experimental and numerical data for operator learning typically exhibit noise in the independent variables as well, since both variables represent signals that are subject to measurement error. In regression on scalar data, failure to account for noisy independent variables can lead to biased parameter estimates. With noisy independent variables, linear models fitted via ordinary least squares (OLS) will show attenuation bias, wherein the slope will be underestimated. In this work, we derive an analogue of attenuation bias for linear operator regression with white noise in both the independent and dependent variables. In the nonlinear setting, we computationally demonstrate underprediction of the action of the Burgers operator in the presence of noise in the independent variable. We propose error-in-variables (EiV) models for two operator regression methods, MOR-Physics and DeepONet, and demonstrate that these new models reduce bias in the presence of noisy independent variables for a variety of operator learning problems. Considering the Burgers operator in 1D and 2D, we demonstrate that EiV operator learning robustly recovers operators in high-noise regimes that defeat OLS operator learning. We also introduce an EiV model for time-evolving PDE discovery and show that OLS and EiV perform similarly in learning the Kuramoto-Sivashinsky evolution operator from corrupted data, suggesting that the effect of bias in OLS operator learning depends on the regularity of the target operator.
Transfer learning (TL) enables the transfer of knowledge gained in learning to perform one task (source) to a related but different task (target), hence addressing the expense of data acquisition and labeling, potential computational power limitations, and dataset distribution mismatches. We propose a new TL framework for task-specific learning (functional regression in partial differential equations (PDEs)) under conditional shift based on the deep operator network (DeepONet). 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. Inspired by the conditional embedding operator theory, we minimize the statistical distance between labeled target data and the surrogate prediction on unlabeled target data by embedding conditional distributions onto a reproducing kernel Hilbert space. We demonstrate the advantages of our approach for various TL scenarios involving nonlinear PDEs under diverse conditions due to shift in the geometric domain and model dynamics. Our TL framework enables fast and efficient learning of heterogeneous tasks despite significant differences between the source and target domains.
Operator learning for complex nonlinear systems is increasingly common in modeling multi-physics and multi-scale systems. However, training such high-dimensional operators requires a large amount of expensive, high-fidelity data, either from experiments or simulations. In this work, we present a composite Deep Operator Network (DeepONet) for learning using two datasets with different levels of fidelity to accurately learn complex operators when sufficient high-fidelity data is not available. Additionally, we demonstrate that the presence of low-fidelity data can improve the predictions of physics-informed learning with DeepONets. We demonstrate the new multi-fidelity training in diverse examples, including modeling of the ice-sheet dynamics of the Humboldt glacier, Greenland, using two different fidelity models and also using the same physical model at two different resolutions.
A new data-driven method for operator learning of stochastic differential equations(SDE) is proposed in this paper. The central goal is to solve forward and inverse stochastic problems more effectively using limited data. Deep operator network(DeepONet) has been proposed recently for operator learning. Compared to other neural networks to learn functions, it aims at the problem of learning nonlinear operators. However, it can be challenging by using the original model to learn nonlinear operators for high-dimensional stochastic problems. We propose a new multi-resolution autoencoder DeepONet model referred to as MultiAuto-DeepONet to deal with this difficulty with the aid of convolutional autoencoder. The encoder part of the network is designed to reduce the dimensionality as well as discover the hidden features of high-dimensional stochastic inputs. The decoder is designed to have a special structure, i.e. in the form of DeepONet. The first DeepONet in decoder is designed to reconstruct the input function involving randomness while the second one is used to approximate the solution of desired equations. Those two DeepONets has a common branch net and two independent trunk nets. This architecture enables us to deal with multi-resolution inputs naturally. By adding $L_1$ regularization to our network, we found the outputs from the branch net and two trunk nets all have sparse structures. This reduces the number of trainable parameters in the neural network thus making the model more efficient. Finally, we conduct several numerical experiments to illustrate the effectiveness of our proposed MultiAuto-DeepONet model with uncertainty quantification.
We present a data-driven workflow to biological tissue modeling, which aims to predict the displacement field based on digital image correlation (DIC) measurements under unseen loading scenarios, without postulating a specific constitutive model form nor possessing knowledges on the material microstructure. To this end, a material database is constructed from the DIC displacement tracking measurements of multiple biaxial stretching protocols on a porcine tricuspid valve anterior leaflet, with which we build a neural operator learning model. The material response is modeled as a solution operator from the loading to the resultant displacement field, with the material microstructure properties learned implicitly from the data and naturally embedded in the network parameters. Using various combinations of loading protocols, we compare the predictivity of this framework with finite element analysis based on the phenomenological Fung-type model. From in-distribution tests, the predictivity of our approach presents good generalizability to different loading conditions and outperforms the conventional constitutive modeling at approximately one order of magnitude. When tested on out-of-distribution loading ratios, the neural operator learning approach becomes less effective. To improve the generalizability of our framework, we propose a physics-guided neural operator learning model via imposing partial physics knowledge. This method is shown to improve the model's extrapolative performance in the small-deformation regime. Our results demonstrate that with sufficient data coverage and/or guidance from partial physics constraints, the data-driven approach can be a more effective method for modeling biological materials than the traditional constitutive modeling.
Objective. Dual-energy computed tomography (DECT) has the potential to improve contrast, reduce artifacts and the ability to perform material decomposition in advanced imaging applications. The increased number or measurements results with a higher radiation dose and it is therefore essential to reduce either number of projections per energy or the source X-ray intensity, but this makes tomographic reconstruction more ill-posed. Approach. We developed the multi-channel convolutional analysis operator learning (MCAOL) method to exploit common spatial features within attenuation images at different energies and we propose an optimization method which jointly reconstructs the attenuation images at low and high energies with a mixed norm regularization on the sparse features obtained by pre-trained convolutional filters through the convolutional analysis operator learning (CAOL) algorithm. Main results. Extensive experiments with simulated and real computed tomography (CT) data were performed to validate the effectiveness of the proposed methods and we reported increased reconstruction accuracy compared to CAOL and iterative methods with single and joint total-variation (TV) regularization. Significance. Qualitative and quantitative results on sparse-views and low-dose DECT demonstrate that the proposed MCAOL method outperforms both CAOL applied on each energy independently and several existing state-of-the-art model-based iterative reconstruction (MBIR) techniques, thus paving the way for dose reduction.
Constructing accurate and generalizable approximators for complex physico-chemical processes exhibiting highly non-smooth dynamics is challenging. In this work, we propose new developments and perform comparisons for two promising approaches: manifold-based polynomial chaos expansion (m-PCE) and the deep neural operator (DeepONet), and we examine the effect of over-parameterization on generalization. We demonstrate the performance of these methods in terms of generalization accuracy by solving the 2D time-dependent Brusselator reaction-diffusion system with uncertainty sources, modeling an autocatalytic chemical reaction between two species. We first propose an extension of the m-PCE by constructing a mapping between latent spaces formed by two separate embeddings of input functions and output QoIs. To enhance the accuracy of the DeepONet, we introduce weight self-adaptivity in the loss function. We demonstrate that the performance of m-PCE and DeepONet is comparable for cases of relatively smooth input-output mappings. However, when highly non-smooth dynamics is considered, DeepONet shows higher accuracy. We also find that for m-PCE, modest over-parameterization leads to better generalization, both within and outside of distribution, whereas aggressive over-parameterization leads to over-fitting. In contrast, an even highly over-parameterized DeepONet leads to better generalization for both smooth and non-smooth dynamics. Furthermore, we compare the performance of the above models with another operator learning model, the Fourier Neural Operator, and show that its over-parameterization also leads to better generalization. Our studies show that m-PCE can provide very good accuracy at very low training cost, whereas a highly over-parameterized DeepONet can provide better accuracy and robustness to noise but at higher training cost. In both methods, the inference cost is negligible.
The concept of sparsity has been extensively applied for regularization in image reconstruction. Typically, sparsifying transforms are either pre-trained on ground-truth images or adaptively trained during the reconstruction. Thereby, learning algorithms are designed to minimize some target function which encodes the desired properties of the transform. However, this procedure ignores the subsequently employed reconstruction algorithm as well as the physical model which is responsible for the image formation process. Iterative neural networks - which contain the physical model - can overcome these issues. In this work, we demonstrate how convolutional sparsifying filters can be efficiently learned by end-to-end training of iterative neural networks. We evaluated our approach on a non-Cartesian 2D cardiac cine MRI example and show that the obtained filters are better suitable for the corresponding reconstruction algorithm than the ones obtained by decoupled pre-training.
Predicting part quality for additive manufacturing (AM) processes requires high-fidelity numerical simulation of partial differential equations (PDEs) governing process multiphysics on a scale of minimum manufacturable features. This makes part-scale predictions computationally demanding, especially when they require many small-scale simulations. We consider drop-on-demand liquid metal jetting (LMJ) as an illustrative example of such computational complexity. A model describing droplet coalescence for LMJ may include coupled incompressible fluid flow, heat transfer, and phase change equations. Numerically solving these equations becomes prohibitively expensive when simulating the build process for a full part consisting of thousands to millions of droplets. Reduced-order models (ROMs) based on neural networks (NN) or k-nearest neighbor (kNN) algorithms have been built to replace the original physics-based solver and are computationally tractable for part-level simulations. However, their quick inference capabilities often come at the expense of accuracy, robustness, and generalizability. We apply an operator learning (OL) approach to learn a mapping between initial and final states of the droplet coalescence process for enabling rapid and accurate part-scale build simulation. Preliminary results suggest that OL requires order-of-magnitude fewer data points than a kNN approach and is generalizable beyond the training set while achieving similar prediction error.
Supervised operator learning is an emerging machine learning paradigm with applications to modeling the evolution of spatio-temporal dynamical systems and approximating general black-box relationships between functional data. We propose a novel operator learning method, LOCA (Learning Operators with Coupled Attention), motivated from the recent success of the attention mechanism. In our architecture, the input functions are mapped to a finite set of features which are then averaged with attention weights that depend on the output query locations. By coupling these attention weights together with an integral transform, LOCA is able to explicitly learn correlations in the target output functions, enabling us to approximate nonlinear operators even when the number of output function in the training set measurements is very small. Our formulation is accompanied by rigorous approximation theoretic guarantees on the universal expressiveness of the proposed model. Empirically, we evaluate the performance of LOCA on several operator learning scenarios involving systems governed by ordinary and partial differential equations, as well as a black-box climate prediction problem. Through these scenarios we demonstrate state of the art accuracy, robustness with respect to noisy input data, and a consistently small spread of errors over testing data sets, even for out-of-distribution prediction tasks.
System representations inspired by the infinite-dimensional Koopman operator (generator) are increasingly considered for predictive modeling. Due to the operator's linearity, a range of nonlinear systems admit linear predictor representations - allowing for simplified prediction, analysis and control. However, finding meaningful finite-dimensional representations for prediction is difficult as it involves determining features that are both Koopman-invariant (evolve linearly under the dynamics) as well as relevant (spanning the original state) - a generally unsupervised problem. In this work, we present Koopmanizing Flows - a novel continuous-time framework for supervised learning of linear predictors for a class of nonlinear dynamics. In our model construction a latent diffeomorphically related linear system unfolds into a linear predictor through the composition with a monomial basis. The lifting, its linear dynamics and state reconstruction are learned simultaneously, while an unconstrained parameterization of Hurwitz matrices ensures asymptotic stability regardless of the operator approximation accuracy. The superior efficacy of Koopmanizing Flows is demonstrated in comparison to a state-of-the-art method on the well-known LASA handwriting benchmark.
Vision transformers have delivered tremendous success in representation learning. This is primarily due to effective token mixing through self attention. However, this scales quadratically with the number of pixels, which becomes infeasible for high-resolution inputs. To cope with this challenge, we propose Adaptive Fourier Neural Operator (AFNO) as an efficient token mixer that learns to mix in the Fourier domain. AFNO is based on a principled foundation of operator learning which allows us to frame token mixing as a continuous global convolution without any dependence on the input resolution. This principle was previously used to design FNO, which solves global convolution efficiently in the Fourier domain and has shown promise in learning challenging PDEs. To handle challenges in visual representation learning such as discontinuities in images and high resolution inputs, we propose principled architectural modifications to FNO which results in memory and computational efficiency. This includes imposing a block-diagonal structure on the channel mixing weights, adaptively sharing weights across tokens, and sparsifying the frequency modes via soft-thresholding and shrinkage. The resulting model is highly parallel with a quasi-linear complexity and has linear memory in the sequence size. AFNO outperforms self-attention mechanisms for few-shot segmentation in terms of both efficiency and accuracy. For Cityscapes segmentation with the Segformer-B3 backbone, AFNO can handle a sequence size of 65k and outperforms other efficient self-attention mechanisms.