Rajeev K. Jaiman

Rui Gao, Indu Kant Deo, Rajeev K. Jaiman

An emerging trend in deep learning research focuses on the applications of graph neural networks (GNNs) for mesh-based continuum mechanics simulations. Most of these learning frameworks operate on graphs wherein each edge connects two nodes. Inspired by the data connectivity in the finite element method, we present a method to construct a hypergraph by connecting the nodes by elements rather than edges. A hypergraph message-passing network is defined on such a node-element hypergraph that mimics the calculation process of local stiffness matrices. We term this method a finite element-inspired hypergraph neural network, in short FEIH($φ$)-GNN. We further equip the proposed network with rotation equivariance, and explore its capability for modeling unsteady fluid flow systems. The effectiveness of the network is demonstrated on two common benchmark problems, namely the fluid flow around a circular cylinder and airfoil configurations. Stabilized and accurate temporal roll-out predictions can be obtained using the $φ$-GNN framework within the interpolation Reynolds number range. The network is also able to extrapolate moderately towards higher Reynolds number domain out of the training range.

Rui Gao, Rajeev K. Jaiman

We present a rotation equivariant, quasi-monolithic graph neural network framework for the reduced-order modeling of fluid-structure interaction systems. With the aid of an arbitrary Lagrangian-Eulerian formulation, the system states are evolved temporally with two sub-networks. The movement of the mesh is reduced to the evolution of several coefficients via complex-valued proper orthogonal decomposition, and the prediction of these coefficients over time is handled by a single multi-layer perceptron. A finite element-inspired hypergraph neural network is employed to predict the evolution of the fluid state based on the state of the whole system. The structural state is implicitly modeled by the movement of the mesh on the solid-fluid interface; hence it makes the proposed framework quasi-monolithic. The effectiveness of the proposed framework is assessed on two prototypical fluid-structure systems, namely the flow around an elastically-mounted cylinder, and the flow around a hyperelastic plate attached to a fixed cylinder. The proposed framework tracks the interface description and provides stable and accurate system state predictions during roll-out for at least 2000 time steps, and even demonstrates some capability in self-correcting erroneous predictions. The proposed framework also enables direct calculation of the lift and drag forces using the predicted fluid and mesh states, in contrast to existing convolution-based architectures. The proposed reduced-order model via graph neural network has implications for the development of physics-based digital twins concerning moving boundaries and fluid-structure interactions.

Wrik Mallik, Rajeev K. Jaiman, Jasmin Jelovica

It is challenging to construct generalized physical models of wave propagation in nature owing to their complex physics as well as widely varying environmental parameters and dynamical scales. In this article, we present the convolutional autoencoder recurrent network (CRAN) as a data-driven model for learning wave propagation phenomena. The CRAN consists of a convolutional autoencoder for learning low-dimensional system representation and a long short-term memory recurrent neural network for the system evolution in low dimension. We show that the convolutional autoencoder significantly outperforms the dimension-reduction of complex wave propagation phenomena via projection-based methods as it can directly learn subspaces resembling wave characteristics. On the other hand, the projection-based modes are restricted to the Fourier subspace. Geometric priors of the convolutional autoencoder enabling selective scale separation of complex wave dynamics further enhance its dimension-reduction capability. We also demonstrate that geometric priors such as translation equivariance and translational invariance of the convolutional autoencoder enable generalized learning of low-dimensional maps. Thus, the composite CRAN model connecting the convolutional autoencoder with a long short-term memory network specially designed for autoregressive modeling can perform generalized wave propagation prediction over the desired time horizon. Numerical experiments display 90% mean structural similarity index measure of CRAN predictions compared to true solutions for out-of-training cases, and less than 10% pointwise $L_1$ error for most cases, verifying such generalization claims. Finally, the CRAN predictions offer similar wave characteristic patterns to the target solutions indicating not only their generalization but also their kinematical consistency.

Hadi Keramati, Morteza Sadeghi, Rajeev K. Jaiman

This study presents a generative optimization framework based on a guided denoising diffusion probabilistic model (DDPM) that leverages surrogate gradients to generate heat sink designs minimizing pressure drop while maintaining surface temperatures below a specified threshold. Geometries are represented using boundary representations of multiple fins, and a multi-fidelity approach is employed to generate training data. Using this dataset, along with vectors representing the boundary representation geometries, we train a denoising diffusion probabilistic model to generate heat sinks with characteristics consistent with those observed in the data. We train two different residual neural networks to predict the pressure drop and surface temperature for each geometry. We use the gradients of these surrogate models with respect to the design variables to guide the geometry generation process toward satisfying the low-pressure and surface temperature constraints. This inference-time guidance directs the generative process toward heat sink designs that not only prevent overheating but also achieve lower pressure drops compared to traditional optimization methods such as CMA-ES. In contrast to traditional black-box optimization approaches, our method is scalable, provided sufficient training data is available. Unlike traditional topology optimization methods, once the model is trained and the heat sink world model is saved, inference under new constraints (e.g., temperature) is computationally inexpensive and does not require retraining. Samples generated using the guided diffusion model achieve pressure drops up to 10 percent lower than the limits obtained by traditional black-box optimization methods. This work represents a step toward building a foundational generative model for electronics cooling.

Indu Kant Deo, Akash Venkateshwaran, Rajeev K. Jaiman

There is a significant need for precise and reliable forecasting of the far-field noise emanating from shipping vessels. Conventional full-order models based on the Navier-Stokes equations are unsuitable, and sophisticated model reduction methods may be ineffective for accurately predicting far-field noise in environments with seamounts and significant variations in bathymetry. Recent advances in reduced-order models, particularly those based on convolutional and recurrent neural networks, offer a faster and more accurate alternative. These models use convolutional neural networks to reduce data dimensions effectively. However, current deep-learning models face challenges in predicting wave propagation over long periods and for remote locations, often relying on auto-regressive prediction and lacking far-field bathymetry information. This research aims to improve the accuracy of deep-learning models for predicting underwater radiated noise in far-field scenarios. We propose a novel range-conditional convolutional neural network that incorporates ocean bathymetry data into the input. By integrating this architecture into a continual learning framework, we aim to generalize the model for varying bathymetry worldwide. To demonstrate the effectiveness of our approach, we analyze our model on several test cases and a benchmark scenario involving far-field prediction over Dickin's seamount in the Northeast Pacific. Our proposed architecture effectively captures transmission loss over a range-dependent, varying bathymetry profile. This architecture can be integrated into an adaptive management system for underwater radiated noise, providing real-time end-to-end mapping between near-field ship noise sources and received noise at the marine mammal's location.

Indu Kant Deo, Akash Venkateshwaran, Rajeev K. Jaiman

Ship traffic is an increasing source of underwater radiated noise in coastal waters, motivating real-time digital twins of ocean acoustics for operational noise mitigation. We present a physics-guided probabilistic framework to predict three-dimensional transmission loss in realistic ocean environments. As a case study, we consider the Salish Sea along shipping routes from the Pacific Ocean to the Port of Vancouver. A dataset of over 30 million source-receiver pairs was generated with a Gaussian beam solver across seasonal sound speed profiles and one-third-octave frequency bands spanning 12.5 Hz to 8 kHz. We first assess sparse variational Gaussian processes (SVGP) and then incorporate physics-based mean functions combining spherical spreading with frequency-dependent absorption. To capture nonlinear effects, we examine deep sigma-point processes and stochastic variational deep kernel learning. The final framework integrates four components: (i) a learnable physics-informed mean that represents dominant propagation trends, (ii) a convolutional encoder for bathymetry along the source-receiver track, (iii) a neural encoder for source, receiver, and frequency coordinates, and (iv) a residual SVGP layer that provides calibrated predictive uncertainty. This probabilistic digital twin facilitates the construction of sound-exposure bounds and worst-case scenarios for received levels. We further demonstrate the application of the framework to ship speed optimization, where predicted transmission loss combined with near-field source models provides sound exposure level estimates for minimizing acoustic impacts on marine mammals. The proposed framework advances uncertainty-aware digital twins for ocean acoustics and illustrates how physics-guided machine learning can support sustainable maritime operations.

Hadi Keramati, Patrick Kirchen, Mohammed Hannan et al.

This study presents a generative optimization framework that builds on a fine-tuned diffusion model and reward-directed sampling to generate high-performance engineering designs. The framework adopts a parametric representation of the design geometry and produces new parameter sets corresponding to designs with enhanced performance metrics. A key advantage of the reward-directed approach is its suitability for scenarios in which performance metrics rely on costly engineering simulations or surrogate models (e.g. graph-based, ensemble models, or tree-based) are non-differentiable or prohibitively expensive to differentiate. This work introduces the iterative use of a soft value function within a Markov decision process framework to achieve reward-guided decoding in the diffusion model. By incorporating soft-value guidance during both the training and inference phases, the proposed approach reduces computational and memory costs to achieve high-reward designs, even beyond the training data. Empirical results indicate that this iterative reward-directed method substantially improves the ability of the diffusion models to generate samples with reduced resistance in 3D ship hull design and enhanced hydrodynamic performance in 2D airfoil design tasks. The proposed framework generates samples that extend beyond the training data distribution, resulting in a greater 25 percent reduction in resistance for ship design and over 10 percent improvement in the lift-to-drag ratio for the 2D airfoil design. Successful integration of this model into the engineering design life cycle can enhance both designer productivity and overall design performance.

Indu Kant Deo, Rajeev K. Jaiman

In this paper, we present a physics-based deep learning framework for data-driven prediction of wave propagation in fluid media. The proposed approach, termed Multistep Integration-Inspired Attention (MI2A), combines a denoising-based convolutional autoencoder for reduced latent representation with an attention-based recurrent neural network with long-short-term memory cells for time evolution of reduced coordinates. This proposed architecture draws inspiration from classical linear multistep methods to enhance stability and long-horizon accuracy in latent-time integration. Despite the efficiency of hybrid neural architectures in modeling wave dynamics, autoregressive predictions are often prone to accumulating phase and amplitude errors over time. To mitigate this issue within the MI2A framework, we introduce a novel loss decomposition strategy that explicitly separates the training loss function into distinct phase and amplitude components. We assess the performance of MI2A against two baseline reduced-order models trained with standard mean-squared error loss: a sequence-to-sequence recurrent neural network and a variant using Luong-style attention. To demonstrate the effectiveness of the MI2A model, we consider three benchmark wave propagation problems of increasing complexity, namely one-dimensional linear convection, the nonlinear viscous Burgers equation, and the two-dimensional Saint-Venant shallow water system. Our results demonstrate that the MI2A framework significantly improves the accuracy and stability of long-term predictions, accurately preserving wave amplitude and phase characteristics. Compared to the standard long-short term memory and attention-based models, MI2A-based deep learning exhibits superior generalization and temporal accuracy, making it a promising tool for real-time wave modeling.

Rui Gao, Zhi Cheng, Rajeev K. Jaiman

Graph neural networks, recently introduced into the field of fluid flow surrogate modeling, have been successfully applied to model the temporal evolution of various fluid flow systems. Existing applications, however, are mostly restricted to cases where the domain is time-invariant. The present work extends the application of graph neural network-based modeling to fluid flow around structures rotating with respect to a certain axis. Specifically, we propose to apply a graph neural network-based surrogate modeling for fluid flow with the mesh corotating with the structure. Unlike conventional data-driven approaches that rely on structured Cartesian meshes, our framework operates on unstructured co-rotating meshes, enforcing rotation equivariance of the learned model by leveraging co-rotating polar (2D) and cylindrical (3D) coordinate systems. To model the pressure for systems without Dirichlet pressure boundaries, we propose a novel local directed pressure difference formulation that is invariant to the reference pressure point and value. For flow systems with large mesh sizes, we introduce a scheme to train the network in single or distributed graphics processing units by accumulating the backpropagated gradients from partitions of the mesh. The effectiveness of our proposed framework is examined on two test cases: (i) fluid flow in a 2D rotating mixer, and (ii) the flow past a 3D rotating cube. Our results show that the model achieves stable and accurate rollouts for over 2000 time steps in periodic regimes while capturing accurate short-term dynamics in chaotic flow regimes. In addition, the drag and lift force predictions closely match the CFD calculations, highlighting the potential of the framework for modeling both periodic and chaotic fluid flow around rotating structures.

Wrik Mallik, Neil Farvolden, Jasmin Jelovica et al.

This article presents a reduced-order modeling methodology via deep convolutional neural networks (CNNs) for shape optimization applications. The CNN provides a nonlinear mapping between the shapes and their associated attributes while conserving the equivariance of these attributes to the shape translations. To implicitly represent complex shapes via a CNN-applicable Cartesian structured grid, a level-set method is employed. The CNN-based reduced-order model (ROM) is constructed in a completely data-driven manner thus well suited for non-intrusive applications. We demonstrate our ROM-based shape optimization framework on a gradient-based three-dimensional shape optimization problem to minimize the induced drag of a wing in low-fidelity potential flow. We show a good agreement between ROM-based optimal aerodynamic coefficients and their counterparts obtained via a potential flow solver. The predicted behavior of the optimized shape is consistent with theoretical predictions. We also present the learning mechanism of the deep CNN model in a physically interpretable manner. The CNN-ROM-based shape optimization algorithm exhibits significant computational efficiency compared to the full-order model-based online optimization applications. The proposed algorithm promises to develop a tractable DL-ROM-driven framework for shape optimization and adaptive morphing structures.

Wrik Mallik, Rajeev K. Jaiman, Jasmin Jelovica

Although machine learning (ML) is increasingly employed recently for mechanistic problems, the black-box nature of conventional ML architectures lacks the physical knowledge to infer unforeseen input conditions. This implies both severe overfitting during a dearth of training data and inadequate physical interpretability, which motivates us to propose a new kinematically consistent, physics-based ML model. In particular, we attempt to perform physically interpretable learning of inverse problems in wave propagation without suffering overfitting restrictions. Towards this goal, we employ long short-term memory (LSTM) networks endowed with a physical, hyperparameter-driven regularizer, performing penalty-based enforcement of the characteristic geometries. Since these characteristics are the kinematical invariances of wave propagation phenomena, maintaining their structure provides kinematical consistency to the network. Even with modest training data, the kinematically consistent network can reduce the $L_1$ and $L_\infty$ error norms of the plain LSTM predictions by about 45% and 55%, respectively. It can also increase the horizon of the plain LSTM's forecasting by almost two times. To achieve this, an optimal range of the physical hyperparameter, analogous to an artificial bulk modulus, has been established through numerical experiments. The efficacy of the proposed method in alleviating overfitting, and the physical interpretability of the learning mechanism, are also discussed. Such an application of kinematically consistent LSTM networks for wave propagation learning is presented here for the first time.