Souvik Chakraborty

Tapas Tripura, Aarya Sheetal Desai, Sondipon Adhikari et al.

A framework for creating and updating digital twins for dynamical systems from a library of physics-based functions is proposed. The sparse Bayesian machine learning is used to update and derive an interpretable expression for the digital twin. Two approaches for updating the digital twin are proposed. The first approach makes use of both the input and output information from a dynamical system, whereas the second approach utilizes output-only observations to update the digital twin. Both methods use a library of candidate functions representing certain physics to infer new perturbation terms in the existing digital twin model. In both cases, the resulting expressions of updated digital twins are identical, and in addition, the epistemic uncertainties are quantified. In the first approach, the regression problem is derived from a state-space model, whereas in the latter case, the output-only information is treated as a stochastic process. The concepts of Itô calculus and Kramers-Moyal expansion are being utilized to derive the regression equation. The performance of the proposed approaches is demonstrated using highly nonlinear dynamical systems such as the crack-degradation problem. Numerical results demonstrated in this paper almost exactly identify the correct perturbation terms along with their associated parameters in the dynamical system. The probabilistic nature of the proposed approach also helps in quantifying the uncertainties associated with updated models. The proposed approaches provide an exact and explainable description of the perturbations in digital twin models, which can be directly used for better cyber-physical integration, long-term future predictions, degradation monitoring, and model-agnostic control.

Tapas Tripura, Souvik Chakraborty

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.

Navaneeth N, Tapas Tripura, Souvik Chakraborty

Deep neural operators are recognized as an effective tool for learning solution operators of complex partial differential equations (PDEs). As compared to laborious analytical and computational tools, a single neural operator can predict solutions of PDEs for varying initial or boundary conditions and different inputs. A recently proposed Wavelet Neural Operator (WNO) is one such operator that harnesses the advantage of time-frequency localization of wavelets to capture the manifolds in the spatial domain effectively. While WNO has proven to be a promising method for operator learning, the data-hungry nature of the framework is a major shortcoming. In this work, we propose a physics-informed WNO for learning the solution operators of families of parametric PDEs without labeled training data. The efficacy of the framework is validated and illustrated with four nonlinear spatiotemporal systems relevant to various fields of engineering and science.

Navaneeth N., Souvik Chakraborty

Time-dependent structural reliability analysis of nonlinear dynamical systems is non-trivial; subsequently, scope of most of the structural reliability analysis methods is limited to time-independent reliability analysis only. In this work, we propose a Koopman operator based approach for time-dependent reliability analysis of nonlinear dynamical systems. Since the Koopman representations can transform any nonlinear dynamical system into a linear dynamical system, the time evolution of dynamical systems can be obtained by Koopman operators seamlessly regardless of the nonlinear or chaotic behavior. Despite the fact that the Koopman theory has been in vogue a long time back, identifying intrinsic coordinates is a challenging task; to address this, we propose an end-to-end deep learning architecture that learns the Koopman observables and then use it for time marching the dynamical response. Unlike purely data-driven approaches, the proposed approach is robust even in the presence of uncertainties; this renders the proposed approach suitable for time-dependent reliability analysis. We propose two architectures; one suitable for time-dependent reliability analysis when the system is subjected to random initial condition and the other suitable when the underlying system have uncertainties in system parameters. The proposed approach is robust and generalizes to unseen environment (out-of-distribution prediction). Efficacy of the proposed approached is illustrated using three numerical examples. Results obtained indicate supremacy of the proposed approach as compared to purely data-driven auto-regressive neural network and long-short term memory network.

Akshay Thakur, Tapas Tripura, Souvik Chakraborty

Operator learning frameworks, because of their ability to learn nonlinear maps between two infinite dimensional functional spaces and utilization of neural networks in doing so, have recently emerged as one of the more pertinent areas in the field of applied machine learning. Although these frameworks are extremely capable when it comes to modeling complex phenomena, they require an extensive amount of data for successful training which is often not available or is too expensive. However, this issue can be alleviated with the use of multi-fidelity learning, where a model is trained by making use of a large amount of inexpensive low-fidelity data along with a small amount of expensive high-fidelity data. To this end, we develop a new framework based on the wavelet neural operator which is capable of learning from a multi-fidelity dataset. The developed model's excellent learning capabilities are demonstrated by solving different problems which require effective correlation learning between the two fidelities for surrogate construction. Furthermore, we also assess the application of the developed framework for uncertainty quantification. The results obtained from this work illustrate the excellent performance of the proposed framework.

Kalpesh More, Tapas Tripura, Rajdip Nayek et al.

The discovery of partial differential equations (PDEs) is a challenging task that involves both theoretical and empirical methods. Machine learning approaches have been developed and used to solve this problem; however, it is important to note that existing methods often struggle to identify the underlying equation accurately in the presence of noise. In this study, we present a new approach to discovering PDEs by combining variational Bayes and sparse linear regression. The problem of PDE discovery has been posed as a problem to learn relevant basis from a predefined dictionary of basis functions. To accelerate the overall process, a variational Bayes-based approach for discovering partial differential equations is proposed. To ensure sparsity, we employ a spike and slab prior. We illustrate the efficacy of our strategy in several examples, including Burgers, Korteweg-de Vries, Kuramoto Sivashinsky, wave equation, and heat equation (1D as well as 2D). Our method offers a promising avenue for discovering PDEs from data and has potential applications in fields such as physics, engineering, and biology.

Yogesh Chandrakant Mathpati, Kalpesh Sanjay More, Tapas Tripura et al.

We propose a novel model agnostic data-driven reliability analysis framework for time-dependent reliability analysis. The proposed approach -- referred to as MAntRA -- combines interpretable machine learning, Bayesian statistics, and identifying stochastic dynamic equation to evaluate reliability of stochastically-excited dynamical systems for which the governing physics is \textit{apriori} unknown. A two-stage approach is adopted: in the first stage, an efficient variational Bayesian equation discovery algorithm is developed to determine the governing physics of an underlying stochastic differential equation (SDE) from measured output data. The developed algorithm is efficient and accounts for epistemic uncertainty due to limited and noisy data, and aleatoric uncertainty because of environmental effect and external excitation. In the second stage, the discovered SDE is solved using a stochastic integration scheme and the probability failure is computed. The efficacy of the proposed approach is illustrated on three numerical examples. The results obtained indicate the possible application of the proposed approach for reliability analysis of in-situ and heritage structures from on-site measurements.

Tushar, Souvik Chakraborty

We propose a novel gray-box modeling algorithm for physical systems governed by stochastic differential equations (SDE). The proposed approach, referred to as the Deep Physics Corrector (DPC), blends approximate physics represented in terms of SDE with deep neural network (DNN). The primary idea here is to exploit DNN to model the missing physics. We hypothesize that combining incomplete physics with data will make the model interpretable and allow better generalization. The primary bottleneck associated with training surrogate models for stochastic simulators is often associated with selecting the suitable loss function. Among the different loss functions available in the literature, we use the conditional maximum mean discrepancy (CMMD) loss function in DPC because of its proven performance. Overall, physics-data fusion and CMMD allow DPC to learn from sparse data. We illustrate the performance of the proposed DPC on four benchmark examples from the literature. The results obtained are highly accurate, indicating its possible application as a surrogate model for stochastic simulators.

Shailesh Garg, Souvik Chakraborty

Neural network based data-driven operator learning schemes have shown tremendous potential in computational mechanics. DeepONet is one such neural network architecture which has gained widespread appreciation owing to its excellent prediction capabilities. Having said that, being set in a deterministic framework exposes DeepONet architecture to the risk of overfitting, poor generalization and in its unaltered form, it is incapable of quantifying the uncertainties associated with its predictions. We propose in this paper, a Variational Bayes DeepONet (VB-DeepONet) for operator learning, which can alleviate these limitations of DeepONet architecture to a great extent and give user additional information regarding the associated uncertainty at the prediction stage. The key idea behind neural networks set in Bayesian framework is that, the weights and bias of the neural network are treated as probability distributions instead of point estimates and, Bayesian inference is used to update their prior distribution. Now, to manage the computational cost associated with approximating the posterior distribution, the proposed VB-DeepONet uses \textit{variational inference}. Unlike Markov Chain Monte Carlo schemes, variational inference has the capacity to take into account high dimensional posterior distributions while keeping the associated computational cost low. Different examples covering mechanics problems like diffusion reaction, gravity pendulum, advection diffusion have been shown to illustrate the performance of the proposed VB-DeepONet and comparisons have also been drawn against DeepONet set in deterministic framework.

Tapas Tripura, Souvik Chakraborty

A complete understanding of physical systems requires models that are accurate and obeys natural conservation laws. Recent trends in representation learning involve learning Lagrangian from data rather than the direct discovery of governing equations of motion. The generalization of equation discovery techniques has huge potential; however, existing Lagrangian discovery frameworks are black-box in nature. This raises a concern about the reusability of the discovered Lagrangian. In this article, we propose a novel data-driven machine-learning algorithm to automate the discovery of interpretable Lagrangian from data. The Lagrangian are derived in interpretable forms, which also allows the automated discovery of conservation laws and governing equations of motion. The architecture of the proposed framework is designed in such a way that it allows learning the Lagrangian from a subset of the underlying domain and then generalizing for an infinite-dimensional system. The fidelity of the proposed framework is exemplified using examples described by systems of ordinary differential equations and partial differential equations where the Lagrangian and conserved quantities are known.

Shailesh Garg, Souvik Chakraborty

In this paper, we propose a novel data-driven operator learning framework referred to as the \textit{Randomized Prior Wavelet Neural Operator} (RP-WNO). The proposed RP-WNO is an extension of the recently proposed wavelet neural operator, which boasts excellent generalizing capabilities but cannot estimate the uncertainty associated with its predictions. RP-WNO, unlike the vanilla WNO, comes with inherent uncertainty quantification module and hence, is expected to be extremely useful for scientists and engineers alike. RP-WNO utilizes randomized prior networks, which can account for prior information and is easier to implement for large, complex deep-learning architectures than its Bayesian counterpart. Four examples have been solved to test the proposed framework, and the results produced advocate favorably for the efficacy of the proposed framework.

Yash Kumar, Souvik Chakraborty

State estimation is required whenever we deal with high-dimensional dynamical systems, as the complete measurement is often unavailable. It is key to gaining insight, performing control or optimizing design tasks. Most deep learning-based approaches require high-resolution labels and work with fixed sensor locations, thus being restrictive in their scope. Also, doing Proper orthogonal decomposition (POD) on sparse data is nontrivial. To tackle these problems, we propose a technique with an implicit optimization layer and a physics-based loss function that can learn from sparse labels. It works by minimizing the energy of the neural network prediction, enabling it to work with a varying number of sensors at different locations. Based on this technique we present two models for discrete and continuous prediction in space. We demonstrate the performance using two high-dimensional fluid problems of Burgers' equation and Flow Past Cylinder for discrete model and using Allen Cahn equation and Convection-diffusion equations for continuous model. We show the models are also robust to noise in measurements.

Tapas Tripura, Souvik Chakraborty

Learning and predicting the dynamics of physical systems requires a profound understanding of the underlying physical laws. Recent works on learning physical laws involve generalizing the equation discovery frameworks to the discovery of Hamiltonian and Lagrangian of physical systems. While the existing methods parameterize the Lagrangian using neural networks, we propose an alternate framework for learning interpretable Lagrangian descriptions of physical systems from limited data using the sparse Bayesian approach. Unlike existing neural network-based approaches, the proposed approach (a) yields an interpretable description of Lagrangian, (b) exploits Bayesian learning to quantify the epistemic uncertainty due to limited data, (c) automates the distillation of Hamiltonian from the learned Lagrangian using Legendre transformation, and (d) provides ordinary (ODE) and partial differential equation (PDE) based descriptions of the observed systems. Six different examples involving both discrete and continuous system illustrates the efficacy of the proposed approach.

Shailesh Garg, Souvik Chakraborty

Redundant information transfer in a neural network can increase the complexity of the deep learning model, thus increasing its power consumption. We introduce in this paper a novel spiking neuron, termed Variable Spiking Neuron (VSN), which can reduce the redundant firing using lessons from biological neuron inspired Leaky Integrate and Fire Spiking Neurons (LIF-SN). The proposed VSN blends LIF-SN and artificial neurons. It garners the advantage of intermittent firing from the LIF-SN and utilizes the advantage of continuous activation from the artificial neuron. This property of the proposed VSN makes it suitable for regression tasks, which is a weak point for the vanilla spiking neurons, all while keeping the energy budget low. The proposed VSN is tested against both classification and regression tasks. The results produced advocate favorably towards the efficacy of the proposed spiking neuron, particularly for regression tasks.

Shailesh Garg, Souvik Chakraborty

Reliability analysis of engineering systems under uncertainty poses significant computational challenges, particularly for problems involving high-dimensional stochastic inputs, nonlinear system responses, and multiphysics couplings. Traditional surrogate modeling approaches often incur high energy consumption, which severely limits their scalability and deployability in resource-constrained environments. We introduce NeuroPOL, \textit{the first neuroscience-inspired physics-informed operator learning framework} for reliability analysis. NeuroPOL incorporates Variable Spiking Neurons into a physics-informed operator architecture, replacing continuous activations with event-driven spiking dynamics. This innovation promotes sparse communication, significantly reduces computational load, and enables an energy-efficient surrogate model. The proposed framework lowers both computational and power demands, supporting real-time reliability assessment and deployment on edge devices and digital twins. By embedding governing physical laws into operator learning, NeuroPOL builds physics-consistent surrogates capable of accurate uncertainty propagation and efficient failure probability estimation, even for high-dimensional problems. We evaluate NeuroPOL on five canonical benchmarks, the Burgers equation, Nagumo equation, two-dimensional Poisson equation, two-dimensional Darcy equation, and incompressible Navier-Stokes equation with energy coupling. Results show that NeuroPOL achieves reliability measures comparable to standard physics-informed operators, while introducing significant communication sparsity, enabling scalable, distributed, and energy-efficient deployment.

N Navaneeth, Souvik Chakraborty

Neural operators have gained recognition as potent tools for learning solutions of a family of partial differential equations. The state-of-the-art neural operators excel at approximating the functional relationship between input functions and the solution space, potentially reducing computational costs and enabling real-time applications. However, they often fall short when tackling time-dependent problems, particularly in delivering accurate long-term predictions. In this work, we propose "waveformer", a novel operator learning approach for learning solutions of dynamical systems. The proposed waveformer exploits wavelet transform to capture the spatial multi-scale behavior of the solution field and transformers for capturing the long horizon dynamics. We present four numerical examples involving Burgers's equation, KS-equation, Allen Cahn equation, and Navier Stokes equation to illustrate the efficacy of the proposed approach. Results obtained indicate the capability of the proposed waveformer in learning the solution operator and show that the proposed Waveformer can learn the solution operator with high accuracy, outperforming existing state-of-the-art operator learning algorithms by up to an order, with its advantage particularly visible in the extrapolation region

Tushar, Souvik Chakraborty

The well-known governing physics in science and engineering is often based on certain assumptions and approximations. Therefore, analyses and designs carried out based on these equations are also approximate. The emergence of data-driven models has, to a certain degree, addressed this challenge; however, the purely data-driven models often (a) lack interpretability, (b) are data-hungry, and (c) do not generalize beyond the training window. Operator learning has recently been proposed as a potential alternative to address the aforementioned challenges; however, the challenges are still persistent. We here argue that one of the possible solutions resides in data-physics fusion, where the data-driven model is used to correct/identify the missing physics. To that end, we propose a novel Differentiable Physics Augmented Wavelet Neural Operator (DPA-WNO). The proposed DPA-WNO blends a differentiable physics solver with the Wavelet Neural Operator (WNO), where the role of WNO is to model the missing physics. This empowers the proposed framework to exploit the capability of WNO to learn from data while retaining the interpretability and generalizability associated with physics-based solvers. We illustrate the applicability of the proposed approach in solving time-dependent uncertainty quantification problems due to randomness in the initial condition. Four benchmark uncertainty quantification and reliability analysis examples from various fields of science and engineering are solved using the proposed approach. The results presented illustrate interesting features of the proposed approach.

N Navaneeth, Tushar, Souvik Chakraborty

Reliability analysis is a formidable task, particularly in systems with a large number of stochastic parameters. Conventional methods for quantifying reliability often rely on extensive simulations or experimental data, which can be costly and time-consuming, especially when dealing with systems governed by complex physical laws which necessitates computationally intensive numerical methods such as finite element or finite volume techniques. On the other hand, surrogate-based methods offer an efficient alternative for computing reliability by approximating the underlying model from limited data. Neural operators have recently emerged as effective surrogates for modelling physical systems governed by partial differential equations. These operators can learn solutions to PDEs for varying inputs and parameters. Here, we investigate the efficacy of the recently developed physics-informed wavelet neural operator in solving reliability analysis problems. In particular, we investigate the possibility of using physics-informed operator for solving high-dimensional reliability analysis problems, while bypassing the need for any simulation. Through four numerical examples, we illustrate that physics-informed operator can seamlessly solve high-dimensional reliability analysis problems with reasonable accuracy, while eliminating the need for running expensive simulations.

Calvin Alvares, Souvik Chakraborty

Over the past few years, equation discovery has gained popularity in different fields of science and engineering. However, existing equation discovery algorithms rely on the availability of noisy measurements of the state variables (i.e., displacement {and velocity}). This is a major bottleneck in structural dynamics, where we often only have access to acceleration measurements. To that end, this paper introduces a novel equation discovery algorithm for discovering governing equations of dynamical systems from acceleration-only measurements. The proposed algorithm employs a library-based approach for equation discovery. To enable equation discovery from acceleration-only measurements, we propose a novel Approximate Bayesian Computation (ABC) model that prioritizes parsimonious models. The efficacy of the proposed algorithm is illustrated using {four} structural dynamics examples that include both linear and nonlinear dynamical systems. The case studies presented illustrate the possible application of the proposed approach for equation discovery of dynamical systems from acceleration-only measurements.

Harshil Vagadia, Mudit Chopra, Abhinav Barnawal et al.

Given the task of positioning a ball-like object to a goal region beyond direct reach, humans can often throw, slide, or rebound objects against the wall to attain the goal. However, enabling robots to reason similarly is non-trivial. Existing methods for physical reasoning are data-hungry and struggle with complexity and uncertainty inherent in the real world. This paper presents PhyPlan, a novel physics-informed planning framework that combines physics-informed neural networks (PINNs) with modified Monte Carlo Tree Search (MCTS) to enable embodied agents to perform dynamic physical tasks. PhyPlan leverages PINNs to simulate and predict outcomes of actions in a fast and accurate manner and uses MCTS for planning. It dynamically determines whether to consult a PINN-based simulator (coarse but fast) or engage directly with the actual environment (fine but slow) to determine optimal policy. Evaluation with robots in simulated 3D environments demonstrates the ability of our approach to solve 3D-physical reasoning tasks involving the composition of dynamic skills. Quantitatively, PhyPlan excels in several aspects: (i) it achieves lower regret when learning novel tasks compared to state-of-the-art, (ii) it expedites skill learning and enhances the speed of physical reasoning, (iii) it demonstrates higher data efficiency compared to a physics un-informed approach.

Jyoti Rani, Tapas Tripura, Hariprasad Kodamana et al.

Fault detection and isolation in complex systems are critical to ensure reliable and efficient operation. However, traditional fault detection methods often struggle with issues such as nonlinearity and multivariate characteristics of the time series variables. This article proposes a generative adversarial wavelet neural operator (GAWNO) as a novel unsupervised deep learning approach for fault detection and isolation of multivariate time series processes.The GAWNO combines the strengths of wavelet neural operators and generative adversarial networks (GANs) to effectively capture both the temporal distributions and the spatial dependencies among different variables of an underlying system. The approach of fault detection and isolation using GAWNO consists of two main stages. In the first stage, the GAWNO is trained on a dataset of normal operating conditions to learn the underlying data distribution. In the second stage, a reconstruction error-based threshold approach using the trained GAWNO is employed to detect and isolate faults based on the discrepancy values. We validate the proposed approach using the Tennessee Eastman Process (TEP) dataset and Avedore wastewater treatment plant (WWTP) and N2O emissions named as WWTPN2O datasets. Overall, we showcase that the idea of harnessing the power of wavelet analysis, neural operators, and generative models in a single framework to detect and isolate faults has shown promising results compared to various well-established baselines in the literature.

Mudit Chopra, Abhinav Barnawal, Harshil Vagadia et al.

Given the task of positioning a ball-like object to a goal region beyond direct reach, humans can often throw, slide, or rebound objects against the wall to attain the goal. However, enabling robots to reason similarly is non-trivial. Existing methods for physical reasoning are data-hungry and struggle with complexity and uncertainty inherent in the real world. This paper presents PhyPlan, a novel physics-informed planning framework that combines physics-informed neural networks (PINNs) with modified Monte Carlo Tree Search (MCTS) to enable embodied agents to perform dynamic physical tasks. PhyPlan leverages PINNs to simulate and predict outcomes of actions in a fast and accurate manner and uses MCTS for planning. It dynamically determines whether to consult a PINN-based simulator (coarse but fast) or engage directly with the actual environment (fine but slow) to determine optimal policy. Given an unseen task, PhyPlan can infer the sequence of actions and learn the latent parameters, resulting in a generalizable approach that can rapidly learn to perform novel physical tasks. Evaluation with robots in simulated 3D environments demonstrates the ability of our approach to solve 3D-physical reasoning tasks involving the composition of dynamic skills. Quantitatively, PhyPlan excels in several aspects: (i) it achieves lower regret when learning novel tasks compared to the state-of-the-art, (ii) it expedites skill learning and enhances the speed of physical reasoning, (iii) it demonstrates higher data efficiency compared to a physics un-informed approach.

Jay Phil Yoo, Kazuma Kobayashi, Souvik Chakraborty et al.

Forecasting unobservable physical quantities from sparse, cross-domain sensor data is a central unsolved problem in scientific machine learning. Existing neural operators and large-scale forecasters rely on dense, co-located input-output fields and short temporal contexts, assumptions that fail in real-world systems where sensing and prediction occur on distinct physical manifolds and over long timescales. We introduce the Spatio-Temporal Operator Network (STONe), a non-autoregressive neural operator that learns a stable functional mapping between heterogeneous domains. By directly inferring high-altitude radiation dose fields from sparse ground-based neutron measurements, STONe demonstrates that operator learning can generalize beyond shared-domain settings. It defines a nonlinear operator between sensor and target manifolds that remains stable over long forecasting horizons without iterative recurrence. This challenges the conventional view that operator learning requires domain alignment or autoregressive propagation. Trained on 23 years of global neutron data, STONe achieves accurate 180-day forecasts with millisecond inference latency. The framework establishes a general principle for cross-domain operator inference, enabling real-time prediction of complex spatiotemporal fields in physics, climate, and energy systems.

Kazuma Kobayashi, Shailesh Garg, Farid Ahmed et al.

Robust uncertainty quantification (UQ) remains a critical barrier to the safe deployment of deep learning in real-time virtual sensing, particularly in high-stakes domains where sparse, noisy, or non-collocated sensor data are the norm. We introduce the Conformalized Monte Carlo Operator (CMCO), a framework that transforms neural operator-based virtual sensing with calibrated, distribution-free prediction intervals. By unifying Monte Carlo dropout with split conformal prediction in a single DeepONet architecture, CMCO achieves spatially resolved uncertainty estimates without retraining, ensembling, or custom loss design. Our method addresses a longstanding challenge: how to endow operator learning with efficient and reliable UQ across heterogeneous domains. Through rigorous evaluation on three distinct applications: turbulent flow, elastoplastic deformation, and global cosmic radiation dose estimation-CMCO consistently attains near-nominal empirical coverage, even in settings with strong spatial gradients and proxy-based sensing. This breakthrough offers a general-purpose, plug-and-play UQ solution for neural operators, unlocking real-time, trustworthy inference in digital twins, sensor fusion, and safety-critical monitoring. By bridging theory and deployment with minimal computational overhead, CMCO establishes a new foundation for scalable, generalizable, and uncertainty-aware scientific machine learning.

Shailesh Garg, Harshit Gupta, Souvik Chakraborty

Time dependent reliability analysis and uncertainty quantification of structural system subjected to stochastic forcing function is a challenging endeavour as it necessitates considerable computational time. We investigate the efficacy of recently proposed DeepONet in solving time dependent reliability analysis and uncertainty quantification of systems subjected to stochastic loading. Unlike conventional machine learning and deep learning algorithms, DeepONet learns is a operator network and learns a function to function mapping and hence, is ideally suited to propagate the uncertainty from the stochastic forcing function to the output responses. We use DeepONet to build a surrogate model for the dynamical system under consideration. Multiple case studies, involving both toy and benchmark problems, have been conducted to examine the efficacy of DeepONet in time dependent reliability analysis and uncertainty quantification of linear and nonlinear dynamical systems. Results obtained indicate that the DeepONet architecture is accurate as well as efficient. Moreover, DeepONet posses zero shot learning capabilities and hence, a trained model easily generalizes to unseen and new environment with no further training.

Akshay Thakur, Souvik Chakraborty

We propose a novel \textit{capsule} based deep encoder-decoder model for surrogate modeling and uncertainty quantification of systems in mechanics from sparse data. The proposed framework is developed by adapting Capsule Network (CapsNet) architecture into image-to-image regression encoder-decoder network. Specifically, the aim is to exploit the benefits of CapsNet over convolution neural network (CNN) $-$ retaining pose and position information related to an entity to name a few. The performance of proposed approach is illustrated by solving an elliptic stochastic partial differential equation (SPDE), which also governs systems in mechanics such as steady heat conduction, ground water flow or other diffusion processes, based uncertainty quantification problem with an input dimensionality of $1024$. However, the problem definition does not the restrict the random diffusion field to a particular covariance structure, and the more strenuous task of response prediction for an arbitrary diffusion field is solved. The obtained results from performance evaluation indicate that the proposed approach is accurate, efficient, and robust.

Sai Krishna Mendu, Souvik Chakraborty

We propose a novel deep learning based surrogate model for solving high-dimensional uncertainty quantification and uncertainty propagation problems. The proposed deep learning architecture is developed by integrating the well-known U-net architecture with the Gaussian Gated Linear Network (GGLN) and referred to as the Gated Linear Network induced U-net or GLU-net. The proposed GLU-net treats the uncertainty propagation problem as an image to image regression and hence, is extremely data efficient. Additionally, it also provides estimates of the predictive uncertainty. The network architecture of GLU-net is less complex with 44\% fewer parameters than the contemporary works. We illustrate the performance of the proposed GLU-net in solving the Darcy flow problem under uncertainty under the sparse data scenario. We consider the stochastic input dimensionality to be up to 4225. Benchmark results are generated using the vanilla Monte Carlo simulation. We observe the proposed GLU-net to be accurate and extremely efficient even when no information about the structure of the inputs is provided to the network. Case studies are performed by varying the training sample size and stochastic input dimensionality to illustrate the robustness of the proposed approach.

Akshay Thakur, Souvik Chakraborty

We propose a deep learning-based surrogate model for stochastic simulators. The basic idea is to use generative neural network to approximate the stochastic response. The challenge with such a framework resides in designing the network architecture and selecting loss-function suitable for stochastic response. While we utilize a simple feed-forward neural network, we propose to use conditional maximum mean discrepancy (CMMD) as the loss-function. CMMD exploits the property of reproducing kernel Hilbert space and allows capturing discrepancy between the between the target and the neural network predicted distributions. The proposed approach is mathematically rigorous, in the sense that it makes no assumptions about the probability density function of the response. Performance of the proposed approach is illustrated using four benchmark problems selected from the literature. Results obtained indicate the excellent performance of the proposed approach.

Shailesh Garg, Souvik Chakraborty, Budhaditya Hazra

For real-life nonlinear systems, the exact form of nonlinearity is often not known and the known governing equations are often based on certain assumptions and approximations. Such representation introduced model-form error into the system. In this paper, we propose a novel gray-box modeling approach that not only identifies the model-form error but also utilizes it to improve the predictive capability of the known but approximate governing equation. The primary idea is to treat the unknown model-form error as a residual force and estimate it using duel Bayesian filter based joint input-state estimation algorithms. For improving the predictive capability of the underlying physics, we first use machine learning algorithm to learn a mapping between the estimated state and the input (model-form error) and then introduce it into the governing equation as an additional term. This helps in improving the predictive capability of the governing physics and allows the model to generalize to unseen environment. Although in theory, any machine learning algorithm can be used within the proposed framework, we use Gaussian process in this work. To test the performance of proposed framework, case studies discussing four different dynamical systems are discussed; results for which indicate that the framework is applicable to a wide variety of systems and can produce reliable estimates of original system's states.

Yash Kumar, Souvik Chakraborty

The physical world is governed by the laws of physics, often represented in form of nonlinear partial differential equations (PDEs). Unfortunately, solution of PDEs is non-trivial and often involves significant computational time. With recent developments in the field of artificial intelligence and machine learning, the solution of PDEs using neural network has emerged as a domain with huge potential. However, most of the developments in this field are based on either fully connected neural networks (FNN) or convolutional neural networks (CNN). While FNN is computationally inefficient as the number of network parameters can be potentially huge, CNN necessitates regular grid and simpler domain. In this work, we propose a novel framework referred to as the Graph Attention Differential Equation (GrADE) for solving time dependent nonlinear PDEs. The proposed approach couples FNN, graph neural network, and recently developed Neural ODE framework. The primary idea is to use graph neural network for modeling the spatial domain, and Neural ODE for modeling the temporal domain. The attention mechanism identifies important inputs/features and assign more weightage to the same; this enhances the performance of the proposed framework. Neural ODE, on the other hand, results in constant memory cost and allows trading of numerical precision for speed. We also propose depth refinement as an effective technique for training the proposed architecture in lesser time with better accuracy. The effectiveness of the proposed framework is illustrated using 1D and 2D Burgers' equations. Results obtained illustrate the capability of the proposed framework in modeling PDE and its scalability to larger domains without the need for retraining.

Navaneeth N., Souvik Chakraborty

Performing reliability analysis on complex systems is often computationally expensive. In particular, when dealing with systems having high input dimensionality, reliability estimation becomes a daunting task. A popular approach to overcome the problem associated with time-consuming and expensive evaluations is building a surrogate model. However, these computationally efficient models often suffer from the curse of dimensionality. Hence, training a surrogate model for high-dimensional problems is not straightforward. Henceforth, this paper presents a framework for solving high-dimensional reliability analysis problems. The basic premise is to train the surrogate model on a low-dimensional manifold, discovered using the active subspace algorithm. However, learning the low-dimensional manifold using active subspace is non-trivial as it requires information on the gradient of the response variable. To address this issue, we propose using sparse learning algorithms in conjunction with the active subspace algorithm; the resulting algorithm is referred to as the sparse active subspace (SAS) algorithm. We project the high-dimensional inputs onto the identified low-dimensional manifold identified using SAS. A high-fidelity surrogate model is used to map the inputs on the low-dimensional manifolds to the output response. We illustrate the efficacy of the proposed framework by using three benchmark reliability analysis problems from the literature. The results obtained indicate the accuracy and efficiency of the proposed approach compared to already established reliability analysis methods in the literature.

Shailesh Garg, Ankush Gogoi, Souvik Chakraborty et al.

The potential of digital twin technology is immense, specifically in the infrastructure, aerospace, and automotive sector. However, practical implementation of this technology is not at an expected speed, specifically because of lack of application-specific details. In this paper, we propose a novel digital twin framework for stochastic nonlinear multi-degree of freedom (MDOF) dynamical systems. The approach proposed in this paper strategically decouples the problem into two time-scales -- (a) a fast time-scale governing the system dynamics and (b) a slow time-scale governing the degradation in the system. The proposed digital twin has four components - (a) a physics-based nominal model (low-fidelity), (b) a Bayesian filtering algorithm a (c) a supervised machine learning algorithm and (d) a high-fidelity model for predicting future responses. The physics-based nominal model combined with Bayesian filtering is used combined parameter state estimation and the supervised machine learning algorithm is used for learning the temporal evolution of the parameters. While the proposed framework can be used with any choice of Bayesian filtering and machine learning algorithm, we propose to use unscented Kalman filter and Gaussian process. Performance of the proposed approach is illustrated using two examples. Results obtained indicate the applicability and excellent performance of the proposed digital twin framework.

Yash Kumar, Pranav Bahl, Souvik Chakraborty

The importance of state estimation in fluid mechanics is well-established; it is required for accomplishing several tasks including design/optimization, active control, and future state prediction. A common tactic in this regards is to rely on reduced order models. Such approaches, in general, use measurement data of one-time instance. However, oftentimes data available from sensors is sequential and ignoring it results in information loss. In this paper, we propose a novel deep learning based state estimation framework that learns from sequential data. The proposed model structure consists of the recurrent cell to pass information from different time steps enabling utilization of this information to recover the full state. We illustrate that utilizing sequential data allows for state recovery from only one or two sensors. For efficient recovery of the state, the proposed approached is coupled with an auto-encoder based reduced order model. We illustrate the performance of the proposed approach using two examples and it is found to outperform other alternatives existing in the literature.

Souvik Chakraborty

For many systems in science and engineering, the governing differential equation is either not known or known in an approximate sense. Analyses and design of such systems are governed by data collected from the field and/or laboratory experiments. This challenging scenario is further worsened when data-collection is expensive and time-consuming. To address this issue, this paper presents a novel multi-fidelity physics informed deep neural network (MF-PIDNN). The framework proposed is particularly suitable when the physics of the problem is known in an approximate sense (low-fidelity physics) and only a few high-fidelity data are available. MF-PIDNN blends physics informed and data-driven deep learning techniques by using the concept of transfer learning. The approximate governing equation is first used to train a low-fidelity physics informed deep neural network. This is followed by transfer learning where the low-fidelity model is updated by using the available high-fidelity data. MF-PIDNN is able to encode useful information on the physics of the problem from the {\it approximate} governing differential equation and hence, provides accurate prediction even in zones with no data. Additionally, no low-fidelity data is required for training this model. Applicability and utility of MF-PIDNN are illustrated in solving four benchmark reliability analysis problems. Case studies to illustrate interesting features of the proposed approach are also presented.

Souvik Chakraborty, Sondipon Adhikari

Digital twin technology has a huge potential for widespread applications in different industrial sectors such as infrastructure, aerospace, and automotive. However, practical adoptions of this technology have been slower, mainly due to a lack of application-specific details. Here we focus on a digital twin framework for linear single-degree-of-freedom structural dynamic systems evolving in two different operational time scales in addition to its intrinsic dynamic time-scale. Our approach strategically separates into two components -- (a) a physics-based nominal model for data processing and response predictions, and (b) a data-driven machine learning model for the time-evolution of the system parameters. The physics-based nominal model is system-specific and selected based on the problem under consideration. On the other hand, the data-driven machine learning model is generic. For tracking the multi-scale evolution of the system parameters, we propose to exploit a mixture of experts as the data-driven model. Within the mixture of experts model, Gaussian Process (GP) is used as the expert model. The primary idea is to let each expert track the evolution of the system parameters at a single time-scale. For learning the hyperparameters of the `mixture of experts using GP', an efficient framework the exploits expectation-maximization and sequential Monte Carlo sampler is used. Performance of the digital twin is illustrated on a multi-timescale dynamical system with stiffness and/or mass variations. The digital twin is found to be robust and yields reasonably accurate results. One exciting feature of the proposed digital twin is its capability to provide reasonable predictions at future time-steps. Aspects related to the data quality and data quantity are also investigated.

Souvik Chakraborty

This paper presents a simulation free framework for solving reliability analysis problems. The method proposed is rooted in a recently developed deep learning approach, referred to as the physics-informed neural network. The primary idea is to learn the neural network parameters directly from the physics of the problem. With this, the need for running simulation and generating data is completely eliminated. Additionally, the proposed approach also satisfies physical laws such as invariance properties and conservation laws associated with the problem. The proposed approach is used for solving three benchmark reliability analysis problems. Results obtained illustrates that the proposed approach is highly accurate. Moreover, the primary bottleneck of solving reliability analysis problems, i.e., running expensive simulations to generate data, is eliminated with this method.

Souvik Chakraborty, Sondipon Adhikari, Ranjan Ganguli

Digital twin technology has significant promise, relevance and potential of widespread applicability in various industrial sectors such as aerospace, infrastructure and automotive. However, the adoption of this technology has been slower due to the lack of clarity for specific applications. A discrete damped dynamic system is used in this paper to explore the concept of a digital twin. As digital twins are also expected to exploit data and computational methods, there is a compelling case for the use of surrogate models in this context. Motivated by this synergy, we have explored the possibility of using surrogate models within the digital twin technology. In particular, the use of Gaussian process (GP) emulator within the digital twin technology is explored. GP has the inherent capability of addressing noise and sparse data and hence, makes a compelling case to be used within the digital twin framework. Cases involving stiffness variation and mass variation are considered, individually and jointly along with different levels of noise and sparsity in data. Our numerical simulation results clearly demonstrate that surrogate models such as GP emulators have the potential to be an effective tool for the development of digital twins. Aspects related to data quality and sampling rate are analysed. Key concepts introduced in this paper are summarised and ideas for urgent future research needs are proposed.

Somdatta Goswami, Cosmin Anitescu, Souvik Chakraborty et al.

We present a new physics informed neural network (PINN) algorithm for solving brittle fracture problems. While most of the PINN algorithms available in the literature minimize the residual of the governing partial differential equation, the proposed approach takes a different path by minimizing the variational energy of the system. Additionally, we modify the neural network output such that the boundary conditions associated with the problem are exactly satisfied. Compared to conventional residual based PINN, the proposed approach has two major advantages. First, the imposition of boundary conditions is relatively simpler and more robust. Second, the order of derivatives present in the functional form of the variational energy is of lower order than in the residual form. Hence, training the network is faster. To compute the total variational energy of the system, an efficient scheme that takes as input a geometry described by spline based CAD model and employs Gauss quadrature rules for numerical integration has been proposed. Moreover, we utilize the concept of transfer learning to obtain the crack path in an efficient manner. The proposed approach is used to solve four fracture mechanics problems. For all the examples, results obtained using the proposed approach match closely with the results available in the literature. For the first two examples, we compare the results obtained using the proposed approach with the conventional residual based neural network results. For both the problems, the proposed approach is found to yield better accuracy compared to conventional residual based PINN algorithms.

Rajdip Nayek, Souvik Chakraborty, Sriram Narasimhan

The problem of combined state and input estimation of linear structural systems based on measured responses and a priori knowledge of structural model is considered. A novel methodology using Gaussian process latent force models is proposed to tackle the problem in a stochastic setting. Gaussian process latent force models (GPLFMs) are hybrid models that combine differential equations representing a physical system with data-driven non-parametric Gaussian process models. In this work, the unknown input forces acting on a structure are modelled as Gaussian processes with some chosen covariance functions which are combined with the mechanistic differential equation representing the structure to construct a GPLFM. The GPLFM is then conveniently formulated as an augmented stochastic state-space model with additional states representing the latent force components, and the joint input and state inference of the resulting model is implemented using Kalman filter. The augmented state-space model of GPLFM is shown as a generalization of the class of input-augmented state-space models, is proven observable, and is robust compared to conventional augmented formulations in terms of numerical stability. The hyperparameters governing the covariance functions are estimated using maximum likelihood optimization based on the observed data, thus overcoming the need for manual tuning of the hyperparameters by trial-and-error. To assess the performance of the proposed GPLFM method, several cases of state and input estimation are demonstrated using numerical simulations on a 10-dof shear building and a 76-storey ASCE benchmark office tower. Results obtained indicate the superior performance of the proposed approach over conventional Kalman filter based approaches.

Somdatta Goswami, Souvik Chakraborty, Rajib Chowdhury et al.

We present a novel approach, referred to as the 'threshold shift method' (TSM), for reliability based design optimization (RBDO). The proposed approach is similar in spirit with the sequential optimization and reliability analysis (SORA) method where the RBDO problem is decoupled into an optimization and a reliability analysis problem. However, unlike SORA that utilizes shift-vector to shift the design variables within a constraint (independently), in TSM we propose to shift the threshold of the constraints. We argue that modifying a constraint, either by shifting the design variables (SORA) or by shifting the threshold of the constraints (TSM), influences the other constraints of the system. Therefore, we propose to determine the thresholds for all the constraints by solving a single optimization problem. Additionally, the proposed TSM is equipped with an active-constraint determination scheme. To make the method scalable, a practical algorithm for TSM that utilizes two surrogate models is proposed. Unlike the conventional RBDO methods, the proposed approach has the ability to handle highly non-linear probabilistic constraints. The performance of the proposed approach is examined on six benchmark problems selected from the literature. The proposed approach yields excellent results outperforming other popular methods in literature. As for the computational efficiency, the proposed approach is found to be highly efficient, indicating it's future application to other real-life problems.