Kazuma Kobayashi

Kazuma Kobayashi, Syed Bahauddin Alam

Artificial intelligence (AI) and Machine learning (ML) are increasingly used in energy and engineering systems, but these models must be fair, unbiased, and explainable. It is critical to have confidence in AI's trustworthiness. ML techniques have been useful in predicting important parameters and in improving model performance. However, for these AI techniques to be useful for making decisions, they need to be audited, accounted for, and easy to understand. Therefore, the use of explainable AI (XAI) and interpretable machine learning (IML) is crucial for the accurate prediction of prognostics, such as remaining useful life (RUL), in a digital twin system, to make it intelligent while ensuring that the AI model is transparent in its decision-making processes and that the predictions it generates can be understood and trusted by users. By using AI that is explainable, interpretable, and trustworthy, intelligent digital twin systems can make more accurate predictions of RUL, leading to better maintenance and repair planning, and ultimately, improved system performance. The objective of this paper is to explain the ideas of XAI and IML and to justify the important role of AI/ML in the digital twin framework and components, which requires XAI to understand the prediction better. This paper explains the importance of XAI and IML in both local and global aspects to ensure the use of trustworthy AI/ML applications for RUL prediction. We used the RUL prediction for the XAI and IML studies and leveraged the integrated Python toolbox for interpretable machine learning~(PiML).

Kazuma Kobayashi, Syed Bahauddin Alam

This paper focuses on the feasibility of Deep Neural Operator (DeepONet) as a robust surrogate modeling method within the context of digital twin (DT) for nuclear energy systems. Through benchmarking and evaluation, this study showcases the generalizability and computational efficiency of DeepONet in solving a challenging particle transport problem. DeepONet also exhibits remarkable prediction accuracy and speed, outperforming traditional ML methods, making it a suitable algorithm for real-time DT inference. However, the application of DeepONet also reveals challenges related to optimal sensor placement and model evaluation, critical aspects of real-world implementation. Addressing these challenges will further enhance the method's practicality and reliability. Overall, DeepONet presents a promising and transformative nuclear engineering research and applications tool. Its accurate prediction and computational efficiency capabilities can revolutionize DT systems, advancing nuclear engineering research. This study marks an important step towards harnessing the power of surrogate modeling techniques in critical engineering domains.

Kazuma Kobayashi, James Daniell, Syed Bahauddin Alam

Neural Operator Networks (ONets) represent a novel advancement in machine learning algorithms, offering a robust and generalizable alternative for approximating partial differential equations (PDEs) solutions. Unlike traditional Neural Networks (NN), which directly approximate functions, ONets specialize in approximating mathematical operators, enhancing their efficacy in addressing complex PDEs. In this work, we evaluate the capabilities of Deep Operator Networks (DeepONets), an ONets implementation using a branch/trunk architecture. Three test cases are studied: a system of ODEs, a general diffusion system, and the convection/diffusion Burgers equation. It is demonstrated that DeepONets can accurately learn the solution operators, achieving prediction accuracy scores above 0.96 for the ODE and diffusion problems over the observed domain while achieving zero shot (without retraining) capability. More importantly, when evaluated on unseen scenarios (zero shot feature), the trained models exhibit excellent generalization ability. This underscores ONets vital niche for surrogate modeling and digital twin development across physical systems. While convection-diffusion poses a greater challenge, the results confirm the promise of ONets and motivate further enhancements to the DeepONet algorithm. This work represents an important step towards unlocking the potential of digital twins through robust and generalizable surrogates.

Raisa Bentay Hossain, Farid Ahmed, Kazuma Kobayashi et al.

Effective real-time monitoring is a foundation of digital twin technology, crucial for detecting material degradation and maintaining the structural integrity of nuclear systems to ensure both safety and operational efficiency. Traditional physical sensor systems face limitations such as installation challenges, high costs, and difficulty measuring critical parameters in hard-to-reach or harsh environments, often resulting in incomplete data coverage. Machine learning-driven virtual sensors, integrated within a digital twin framework, offer a transformative solution by enhancing physical sensor capabilities to monitor critical degradation indicators like pressure, velocity, and turbulence. However, conventional machine learning models struggle with real-time monitoring due to the high-dimensional nature of reactor data and the need for frequent retraining. This paper introduces the use of Deep Operator Networks (DeepONet) as a core component of a digital twin framework to predict key thermal-hydraulic parameters in the hot leg of an AP-1000 Pressurized Water Reactor (PWR). DeepONet serves as a dynamic and scalable virtual sensor by accurately mapping the interplay between operational input parameters and spatially distributed system behaviors. In this study, DeepONet is trained with different operational conditions, which relaxes the requirement of continuous retraining, making it suitable for online and real-time prediction components for digital twin. Our results show that DeepONet achieves accurate predictions with low mean squared error and relative L2 error and can make predictions on unknown data 1400 times faster than traditional CFD simulations. This speed and accuracy enable DeepONet to synchronize with the physical system in real-time, functioning as a dynamic virtual sensor that tracks degradation-contributing conditions.

Kazuma Kobayashi, Farid Ahmed, Syed Bahauddin Alam

Real-time monitoring of critical parameters is essential for energy systems' safe and efficient operation. However, traditional sensors often fail and degrade in harsh environments where physical sensors cannot be placed (inaccessible locations). In addition, there are important parameters that cannot be directly measured by sensors. We need machine learning (ML)-based real-time monitoring in those remote locations to ensure system operations. However, traditional ML models struggle to process continuous sensor profile data to fit model requirements, leading to the loss of spatial relationships. Another challenge for real-time monitoring is ``dataset shift" and the need for frequent retraining under varying conditions, where extensive retraining prohibits real-time inference. To resolve these challenges, this study addressed the limitations of real-time monitoring methods by enabling monitoring in locations where physical sensors are impractical to deploy. Our proposed approach, utilizing Multi-Input Operator Network virtual sensors, leverages deep learning to seamlessly integrate diverse data sources and accurately predict key parameters in real-time without the need for additional physical sensors. The approach's effectiveness is demonstrated through thermal-hydraulic monitoring in a nuclear reactor subchannel, achieving remarkable accuracy.

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.