arXiv subjects

Sankaran Mahadevan

Publications and source records attributed to Sankaran Mahadevan.

At least 19 recordsLinked to original sources

arXiv2026

Process Optimization Under Uncertainty for Improving the Bond Quality of Polymer Filaments in Fused Filament Fabrication

This paper develops a computational framework to optimize the process parameters such that the bond quality between extruded polymer filaments is maximized in fused filament fabrication (FFF). A transient heat transfer analysis providing an estimate of the temperature profile of the filaments is coupled with a sintering neck growth model to assess the bond quality that occurs at the interfaces between adjacent filaments. Predicting the variability in the FFF process is essential for achieving proactive quality control of the manufactured part; however, the models used to predict the variability are affected by assumptions and approximations. This paper systematically quantifies the uncertainty in the bond quality model prediction due to various sources of uncertainty, both aleatory and epistemic, and includes the uncertainty and the model discrepancy in the process parameter optimization. Variance-based sensitivity analysis based on Sobol indices is used to quantify the relative contributions of the different uncertainty sources to the uncertainty in the bond quality. A Gaussian process (GP) surrogate model is constructed to compute and include the model discrepancy within the optimization. Physical experiments are conducted for calibration and validation of the physics model and also for validation of the optimum solution. The results show that the proposed formulation for process parameter optimization under uncertainty results in high bond quality between adjoining filaments of the FFF product.

cs.CE↗

arXiv2026

Multi-Objective Optimization Under Uncertainty of Part Quality in Fused Filament Fabrication

This work presents a data-driven methodology for multi-objective optimization under uncertainty of process parameters in the fused filament fabrication (FFF) process. The proposed approach optimizes the process parameters with the objectives of minimizing the geometric inaccuracy and maximizing the filament bond quality of the manufactured part. First, experiments are conducted to collect data pertaining to the part quality. Then, Bayesian neural network (BNN) models are constructed to predict the geometric inaccuracy and bond quality as functions of the process parameters. The BNN model captures the model uncertainty caused by the lack of knowledge about model parameters (neuron weights) and the input variability due to the intrinsic randomness in the input parameters. Using the stochastic predictions from these models, different robustness-based design optimization formulations are investigated, wherein process parameters such as nozzle temperature, nozzle speed, and layer thickness are optimized under uncertainty for different multi-objective scenarios. Epistemic uncertainty in the prediction model and the aleatory uncertainty in the input is considered in the optimization. Finally, Pareto surfaces are constructed to estimate the tradeoffs between the objectives. Both the BNN models and the effectiveness of the proposed optimization methodology are validated using the actual manufacturing of the parts.

cs.CE↗

arXiv2026

Multi-Level Bayesian Calibration of a Multi-Component Dynamic System Model

This paper proposes a multi-level Bayesian calibration approach that fuses information from heterogeneous sources and accounts for uncertainties in modeling and measurements for time-dependent multi-component systems. The developed methodology has two elements: quantifying the uncertainty at component and system levels, by fusing all available information, and corrected model prediction. A multi-level Bayesian calibration approach is developed to estimate component-level and system-level parameters using measurement data that are obtained at different time instances for different system components. Such heterogeneous data are consumed in a sequential manner, and an iterative strategy is developed to calibrate the parameters at the two levels. This calibration strategy is implemented for two scenarios: offline and online. The offline calibration uses data that is collected over all the time-steps, whereas online calibration is performed in real-time as new measurements are obtained at each time-step. Analysis models and observation data for the thermo-mechanical behavior of gas turbine engine rotor blades are used to analyze the effectiveness of the proposed approach.

cs.CE↗

arXiv2026

Adaptive surrogate modeling for high-dimensional spatio-temporal output

This paper develops an adaptive surrogate modeling method for problems with very high-dimensional spatio-temporal outputs. The analysis of spatio-temporal multi-physics systems is computationally expensive and consists of a large number of inputs and outputs. Surrogate models are often constructed to replace the physics-based model to achieve computational efficiency in analyses such as uncertainty quantification and optimization that require many function calls. In order to address the challenge introduced by the high dimensionality of spatio-temporal output, a dimension reduction method is first employed to map the high-dimensional output to a low-dimensional latent space. This is followed by the construction of the surrogate model in the low-dimensional space. The prediction error in the original space, which includes both the reconstruction error and surrogate model error, is evaluated using different error metrics. Based on the prediction accuracy of the surrogate model, new training points are identified for adaptive improvement of the surrogate model. We present a novel adaptive sampling technique that combines exploration and exploitation to improve the surrogate model accuracy with the fewest possible runs of the expensive physics-based model. Thermo-mechanical analysis of a gas turbine engine blade is used to analyze the effectiveness of the proposed method.

cs.CE↗

arXiv2026

Physics-Informed and Hybrid Machine Learning in Additive Manufacturing: Application to Fused Filament Fabrication

This article investigates several physics-informed and hybrid machine learning strategies that incorporate physics knowledge in experimental data-driven deep-learning models for predicting the bond quality and porosity of fused filament fabrication (FFF) parts. Three types of strategies are explored to incorporate physics constraints and multi-physics FFF simulation results into a deep neural network (DNN), thus ensuring consistency with physical laws: (1) incorporate physics constraints within the loss function of the DNN, (2) use physics model outputs as additional inputs to the DNN model, and (3) pre-train a DNN model with physics model input-output and then update it with experimental data. These strategies help to enforce a physically consistent relationship between bond quality and tensile strength, thus making porosity predictions physically meaningful. Eight different combinations of the above strategies are investigated. The results show how the combination of multiple strategies produces accurate machine learning models even with limited experimental data.

cs.LG↗

arXiv2026

Information fusion and machine learning for sensitivity analysis using physics knowledge and experimental data

When computational models (either physics-based or data-driven) are used for the sensitivity analysis of engineering systems, the sensitivity estimate is affected by the accuracy and uncertainty of the model. This paper considers global sensitivity analysis (GSA) for situations where both a physics-based model and experimental observations are available, and investigates physics-informed machine learning strategies to effectively combine the two sources of information in order to maximize the accuracy of the sensitivity estimate. Two representative machine learning (ML) techniques are considered, namely, deep neural networks (DNN) and Gaussian process (GP) modeling, and two strategies for incorporating physics knowledge within these techniques are investigated, namely: (i) incorporating loss functions in the ML models to enforce physics constraints, and (ii) pre-training and updating the ML model using simulation and experimental data respectively. Four different models are built for each type (DNN and GP), and the uncertainties in these models are included in the Sobol indices computation. The DNN-based models, with many degrees of freedom in terms of model parameters and training options, are found to result in smaller bounds on the sensitivity estimates when compared to the GP-based models. The proposed methods are illustrated for additive manufacturing and lake temperature modeling examples.

cs.CE↗

arXiv2026

Efficient Bayesian calibration of many-parameter system models

Computer models of complex engineering systems rely on proper tuning of their model parameters to ensure accurate predictions of the system behavior. The challenge of effectively calibrating many-parameter models is the difficulty of sampling in high-dimensional spaces and the computational expense of generating a large number of samples to characterize the calibrated parameter distributions. The method of active subspaces has been shown to be effective at constructing low-dimensional latent spaces for Bayesian inverse problems when the misfit function (i.e., negative log-likelihood) is treated as the function of interest. On the other hand, works that implement surrogate modeling for inference often focus on approximating the predictive model itself. In this work, an integrated dimension reduction and surrogate modeling framework for efficient and robust model calibration based on the Kennedy O'Hagan framework is proposed, with the following key components. First, an active subspace of the misfit function is identified. Then, a surrogate model for the misfit is constructed in this low-dimensional latent space. Care is taken to ensure that the assumed probabilistic structure of the misfit surrogate is compatible with the structure imposed on the misfit by the observation noise and computer model discrepancy. Further, a generalized likelihood function is defined that can account for the misfit surrogate uncertainty along with the other usual sources of uncertainty, e.g., experimental noise, model inadequacy, etc. This general formulation is shown to be valid for surrogates of any deterministic bijective function of the original likelihood, not just the misfit. Finally, a strategy for incorporating the uncertainty in identifying the active subspace is included.

stat.ME↗

arXiv2026

DAE-Aware Bayesian Inference for Joint Generator-Network Parameter Estimation

This paper addresses the classic problem of parameter estimation (PE) in multimachine power system models. Such models are typically described by a set of nonlinear differential-algebraic equations (DAE), where generator physics and network power flow equations are coupled. DAE models are well established in classic power system textbooks, but parameter identification and estimation of generator inertia and damping together with network branch resistances and reactances for these models remain relatively underexplored. In contrast to prior approaches that rely on ODE approximations, this paper develops a joint Bayesian inference framework to perform PE of generator and network parameters while exploiting grid DAE models. It further combines physics-aware statistical modeling with computationally efficient posterior sampling to make joint Bayesian calibration practical. Results on the IEEE 9-bus system show accurate parameter recovery with well-behaved posterior uncertainty, while a short 39-bus study provides evidence that the framework remains effective on a materially larger joint-estimation problem. These results are obtained without requiring overly conservative priors.

eess.SY↗

arXiv2024

Graph neural networks for power grid operational risk assessment under evolving grid topology

This article investigates the ability of graph neural networks (GNNs) to identify risky conditions in a power grid over the subsequent few hours, without explicit, high-resolution information regarding future generator on/off status (grid topology) or power dispatch decisions. The GNNs are trained using supervised learning, to predict the power grid's aggregated bus-level (either zonal or system-level) or individual branch-level state under different power supply and demand conditions. The variability of the stochastic grid variables (wind/solar generation and load demand), and their statistical correlations, are rigorously considered while generating the inputs for the training data. The outputs in the training data, obtained by solving numerous mixed-integer linear programming (MILP) optimal power flow problems, correspond to system-level, zonal and transmission line-level quantities of interest (QoIs). The QoIs predicted by the GNNs are used to conduct hours-ahead, sampling-based reliability and risk assessment w.r.t. zonal and system-level (load shedding) as well as branch-level (overloading) failure events. The proposed methodology is demonstrated for three synthetic grids with sizes ranging from 118 to 2848 buses. Our results demonstrate that GNNs are capable of providing fast and accurate prediction of QoIs and can be good proxies for computationally expensive MILP algorithms. The excellent accuracy of GNN-based reliability and risk assessment suggests that GNN models can substantially improve situational awareness by quickly providing rigorous reliability and risk estimates.

eess.SY↗

arXiv2023

Power grid operational risk assessment using graph neural network surrogates

We investigate the utility of graph neural networks (GNNs) as proxies of power grid operational decision-making algorithms (optimal power flow (OPF) and security-constrained unit commitment (SCUC)) to enable rigorous quantification of the operational risk. To conduct principled risk analysis, numerous Monte Carlo (MC) samples are drawn from the (foretasted) probability distributions of spatio-temporally correlated stochastic grid variables. The corresponding OPF and SCUC solutions, which are needed to quantify the risk, are generated using traditional OPF and SCUC solvers to generate data for training GNN model(s). The GNN model performance is evaluated in terms of the accuracy of predicting quantities of interests (QoIs) derived from the decision variables in OPF and SCUC. Specifically, we focus on thermal power generation and load shedding at system and individual zone level. We also perform reliability and risk quantification based on GNN predictions and compare with that obtained from OPF/SCUC solutions. Our results demonstrate that GNNs are capable of providing fast and accurate prediction of QoIs and thus can be good surrogate models for OPF and SCUC. The excellent accuracy of GNN-based reliability and risk assessment further suggests that GNN surrogate has the potential to be applied in real-time and hours-ahead risk quantification.

cs.LG↗

arXiv2023

Operational risk quantification of power grids using graph neural network surrogates of the DC OPF

A DC OPF surrogate modeling framework is developed for Monte Carlo (MC) sampling-based risk quantification in power grid operation. MC simulation necessitates solving a large number of DC OPF problems corresponding to the samples of stochastic grid variables (power demand and renewable generation), which is computationally prohibitive. Computationally inexpensive surrogates of OPF provide an attractive alternative for expedited MC simulation. Graph neural network (GNN) surrogates of DC OPF, which are especially suitable to graph-structured data, are employed in this work. Previously developed DC OPF surrogate models have focused on accurate operational decision-making and not on risk quantification. Here, risk quantification-specific aspects of DC OPF surrogate evaluation is the main focus. To this end, the proposed GNN surrogates are evaluated using realistic joint probability distributions, quantification of their risk estimation accuracy, and investigation of their generalizability. Four synthetic grids (Case118, Case300, Case1354pegase, and Case2848rte) are used for surrogate model performance evaluation. It is shown that the GNN surrogates are sufficiently accurate for predicting the (bus-level, branch-level and system-level) grid state and enable fast as well as accurate operational risk quantification for power grids. The article thus develops tools for fast reliability and risk quantification in real-world power grids using GNN-based surrogates.

eess.SY↗

arXiv2022

A Comprehensive Review of Digital Twin -- Part 1: Modeling and Twinning Enabling Technologies

As an emerging technology in the era of Industry 4.0, digital twin is gaining unprecedented attention because of its promise to further optimize process design, quality control, health monitoring, decision and policy making, and more, by comprehensively modeling the physical world as a group of interconnected digital models. In a two-part series of papers, we examine the fundamental role of different modeling techniques, twinning enabling technologies, and uncertainty quantification and optimization methods commonly used in digital twins. This first paper presents a thorough literature review of digital twin trends across many disciplines currently pursuing this area of research. Then, digital twin modeling and twinning enabling technologies are further analyzed by classifying them into two main categories: physical-to-virtual, and virtual-to-physical, based on the direction in which data flows. Finally, this paper provides perspectives on the trajectory of digital twin technology over the next decade, and introduces a few emerging areas of research which will likely be of great use in future digital twin research. In part two of this review, the role of uncertainty quantification and optimization are discussed, a battery digital twin is demonstrated, and more perspectives on the future of digital twin are shared.

cs.CE↗

arXiv2022

Just-In-Time Learning for Operational Risk Assessment in Power Grids

In a grid with a significant share of renewable generation, operators will need additional tools to evaluate the operational risk due to the increased volatility in load and generation. The computational requirements of the forward uncertainty propagation problem, which must solve numerous security-constrained economic dispatch (SCED) optimizations, is a major barrier for such real-time risk assessment. This paper proposes a Just-In-Time Risk Assessment Learning Framework (JITRALF) as an alternative. JITRALF trains risk surrogates, one for each hour in the day, using Machine Learning (ML) to predict the quantities needed to estimate risk, without explicitly solving the SCED problem. This significantly reduces the computational burden of the forward uncertainty propagation and allows for fast, real-time risk estimation. The paper also proposes a novel, asymmetric loss function and shows that models trained using the asymmetric loss perform better than those using symmetric loss functions. JITRALF is evaluated on the French transmission system for assessing the risk of insufficient operating reserves, the risk of load shedding, and the expected operating cost.

eess.SY↗

arXiv2022

A Comprehensive Review of Digital Twin -- Part 2: Roles of Uncertainty Quantification and Optimization, a Battery Digital Twin, and Perspectives

As an emerging technology in the era of Industry 4.0, digital twin is gaining unprecedented attention because of its promise to further optimize process design, quality control, health monitoring, decision and policy making, and more, by comprehensively modeling the physical world as a group of interconnected digital models. In a two-part series of papers, we examine the fundamental role of different modeling techniques, twinning enabling technologies, and uncertainty quantification and optimization methods commonly used in digital twins. This second paper presents a literature review of key enabling technologies of digital twins, with an emphasis on uncertainty quantification, optimization methods, open source datasets and tools, major findings, challenges, and future directions. Discussions focus on current methods of uncertainty quantification and optimization and how they are applied in different dimensions of a digital twin. Additionally, this paper presents a case study where a battery digital twin is constructed and tested to illustrate some of the modeling and twinning methods reviewed in this two-part review. Code and preprocessed data for generating all the results and figures presented in the case study are available on GitHub.

cs.LG↗

arXiv2018

Uncertainty Quantification in Non-Equilibrium Molecular Dynamics Simulations of Thermal Transport

Bulk thermal conductivity estimates based on predictions from non-equilibrium molecular dynamics (NEMD) using the so-called direct method are known to be severely under-predicted since finite simulation length-scales are unable to mimic bulk transport. Moreover, subjecting the system to a temperature gradient by means of thermostatting tends to impact phonon transport adversely. Additionally, NEMD predictions are tightly coupled with the choice of the inter-atomic potential and the underlying values associated with its parameters. In the case of silicon (Si), nominal estimates of the Stillinger-Weber (SW) potential parameters are largely based on a constrained regression approach aimed at agreement with experimental data while ensuring structural stability. However, this approach has its short-comings and it may not be ideal to use the same set of parameters to study a wide variety of Si-based systems subjected to different thermodynamic conditions. In this study, NEMD simulations are performed on a Si bar to investigate the impact of bar-length, and the applied thermal gradient on the discrepancy between predictions and the available measurement for bulk thermal conductivity at 300 K by constructing statistical response surfaces at different temperatures. The approach helps quantify the discrepancy, observed to be largely dependent on the system-size, with minimal computational effort. A computationally efficient approach based on derivative-based sensitivity measures to construct a reduced-order polynomial chaos surrogate for NEMD predictions is also presented. The surrogate is used to perform parametric sensitivity analysis, forward propagation of the uncertainty, and calibration of the important SW potential parameters in a Bayesian setting. It is found that only two (out of seven) parameters contribute significantly to the uncertainty in bulk thermal conductivity estimates for Si.

physics.comp-ph↗

arXiv2018

Sensitivity-driven adaptive construction of reduced-space surrogates

We develop a systematic approach for surrogate model construction in reduced input parameter spaces. A sparse set of model evaluations in the original input space is used to approximate derivative based global sensitivity measures (DGSMs) for individual uncertain inputs of the model. An iterative screening procedure is developed that exploits DGSM estimates in order to identify the unimportant inputs. The screening procedure forms an integral part of an overall framework for adaptive construction of a surrogate in the reduced space. The framework is tested for computational efficiency through an initial implementation in simple test cases such as the classic Borehole function, and a semilinear elliptic PDE with a random source term. The framework is then deployed for a realistic application from chemical kinetics, where we study the ignition delay in an H2/O2 reaction mechanism with 19 uncertain rate constants. It is observed that significant computational gains can be attained by constructing accurate low-dimensional surrogates using the proposed framework.

stat.AP↗

arXiv2016

Effectively Subsampled Quadratures For Least Squares Polynomial Approximations

This paper proposes a new deterministic sampling strategy for constructing polynomial chaos approximations for expensive physics simulation models. The proposed approach, effectively subsampled quadratures involves sparsely subsampling an existing tensor grid using QR column pivoting. For polynomial interpolation using hyperbolic or total order sets, we then solve the following square least squares problem. For polynomial approximation, we use a column pruning heuristic that removes columns based on the highest total orders and then solves the tall least squares problem. While we provide bounds on the condition number of such tall submatrices, it is difficult to ascertain how column pruning effects solution accuracy as this is problem specific. We conclude with numerical experiments on an analytical function and a model piston problem that show the efficacy of our approach compared with randomized subsampling. We also show an example where this method fails.

math.NA↗

arXiv2015

Measure the similarity of nodes in the complex networks

Measure the similarity of the nodes in the complex networks have interested many researchers to explore it. In this paper, a new method which is based on the degree centrality and the Relative-entropy is proposed to measure the similarity of the nodes in the complex networks. The results in this paper show that, the nodes which have a common structure property always have a high similarity to others nodes. The nodes which have a high influential to others always have a small value of similarity to other nodes and the marginal nodes also have a low similar to other nodes. The results in this paper show that the proposed method is useful and reasonable to measure the similarity of the nodes in the complex networks.

cs.SI↗