Jie Chen

Vispi Karkaria, Jie Chen, Christopher Luey et al.

We introduce a novel digital twin framework for predictive maintenance of long-term physical systems. Using monitoring tire health as an application, we show how the digital twin framework can be used to enhance automotive safety and efficiency, and how the technical challenges can be overcome using a three-step approach. Firstly, for managing the data complexity over a long operation span, we employ data reduction techniques to concisely represent physical tires using historical performance and usage data. Relying on these data, for fast real-time prediction, we train a transformer-based model offline on our concise dataset to predict future tire health over time, represented as Remaining Casing Potential (RCP). Based on our architecture, our model quantifies both epistemic and aleatoric uncertainty, providing reliable confidence intervals around predicted RCP. Secondly, to incorporate real-time data, we update the predictive model in the digital twin framework, ensuring its accuracy throughout its life span with the aid of hybrid modeling and the use of discrepancy function. Thirdly, to assist decision making in predictive maintenance, we implement a Tire State Decision Algorithm, which strategically determines the optimal timing for tire replacement based on RCP forecasted by our transformer model. This approach ensures our digital twin accurately predicts system health, continually refines its digital representation, and supports predictive maintenance decisions. Our framework effectively embodies a physical system, leveraging big data and machine learning for predictive maintenance, model updates, and decision-making.

Xingxing Yang, Jie Chen, Zaifeng Yang

Existing learning-based hyperspectral reconstruction methods show limitations in fully exploiting the information among the hyperspectral bands. As such, we propose to investigate the chromatic inter-dependencies in their respective hyperspectral embedding space. These embedded features can be fully exploited by querying the inter-channel correlations in a combinatorial manner, with the unique and complementary information efficiently fused into the final prediction. We found such independent modeling and combinatorial excavation mechanisms are extremely beneficial to uncover marginal spectral features, especially in the long wavelength bands. In addition, we have proposed a spatio-spectral attention block and a spectrum-fusion attention module, which greatly facilitates the excavation and fusion of information at both semantically long-range levels and fine-grained pixel levels across all dimensions. Extensive quantitative and qualitative experiments show that our method (dubbed CESST) achieves SOTA performance. Code for this project is at: https://github.com/AlexYangxx/CESST.

Vispi Karkaria, Anthony Goeckner, Rujing Zha et al.

Laser-directed-energy deposition (DED) offers advantages in additive manufacturing (AM) for creating intricate geometries and material grading. Yet, challenges like material inconsistency and part variability remain, mainly due to its layer-wise fabrication. A key issue is heat accumulation during DED, which affects the material microstructure and properties. While closed-loop control methods for heat management are common in DED research, few integrate real-time monitoring, physics-based modeling, and control in a unified framework. Our work presents a digital twin (DT) framework for real-time predictive control of DED process parameters to meet specific design objectives. We develop a surrogate model using Long Short-Term Memory (LSTM)-based machine learning with Bayesian Inference to predict temperatures in DED parts. This model predicts future temperature states in real time. We also introduce Bayesian Optimization (BO) for Time Series Process Optimization (BOTSPO), based on traditional BO but featuring a unique time series process profile generator with reduced dimensions. BOTSPO dynamically optimizes processes, identifying optimal laser power profiles to attain desired mechanical properties. The established process trajectory guides online optimizations, aiming to enhance performance. This paper outlines the digital twin framework's components, promoting its integration into a comprehensive system for AM.

Hengrui Zhang, Jie Chen, James M. Rondinelli et al.

Recent advances in machine learning (ML) have expedited materials discovery and design. One significant challenge faced in ML for materials is the expansive combinatorial space of potential materials formed by diverse constituents and their flexible configurations. This complexity is particularly evident in molecular mixtures, a frequently explored space for materials such as battery electrolytes. Owing to the complex structures of molecules and the sequence-independent nature of mixtures, conventional ML methods have difficulties in modeling such systems. Here we present MolSets, a specialized ML model for molecular mixtures. Representing individual molecules as graphs and their mixture as a set, MolSets leverages a graph neural network and the deep sets architecture to extract information at the molecule level and aggregate it at the mixture level, thus addressing local complexity while retaining global flexibility. We demonstrate the efficacy of MolSets in predicting the conductivity of lithium battery electrolytes and highlight its benefits in virtual screening of the combinatorial chemical space.