A Reliable Knowledge Processing Framework for Combustion Science using Foundation Models

This research explores the integration of large language models (LLMs) into scientific data assimilation, focusing on combustion science as a case study. Leveraging foundational models integrated with Retrieval-Augmented Generation (RAG) framework, the study introduces an approach to process diverse combustion research data, spanning experimental studies, simulations, and literature. The multifaceted nature of combustion research emphasizes the critical role of knowledge processing in navigating and extracting valuable information from a vast and diverse pool of sources. The developed approach minimizes computational and economic expenses while optimizing data privacy and accuracy. It incorporates prompt engineering and offline open-source LLMs, offering user autonomy in selecting base models. The study provides a thorough examination of text segmentation strategies, conducts comparative studies between LLMs, and explores various optimized prompts to demonstrate the effectiveness of the framework. By incorporating an external database, the framework outperforms a conventional LLM in generating accurate responses and constructing robust arguments. Additionally, the study delves into the investigation of optimized prompt templates for the purpose of efficient extraction of scientific literature. The research addresses concerns related to hallucinations and false research articles by introducing a custom workflow developed with a detection algorithm to filter out inaccuracies. Despite identified areas for improvement, the framework consistently delivers accurate domain-specific responses with minimal human oversight. The prompt-agnostic approach introduced holds promise for future deliberations. The study underscores the significance of integrating LLMs and knowledge processing techniques in scientific research, providing a foundation for advancements in data assimilation and utilization.

Jacobian-Scaled K-means Clustering for Physics-Informed Segmentation of Reacting Flows

This work introduces Jacobian-scaled K-means (JSK-means) clustering, which is a physics-informed clustering strategy centered on the K-means framework. The method allows for the injection of underlying physical knowledge into the clustering procedure through a distance function modification: instead of leveraging conventional Euclidean distance vectors, the JSK-means procedure operates on distance vectors scaled by matrices obtained from dynamical system Jacobians evaluated at the cluster centroids. The goal of this work is to show how the JSK-means algorithm -- without modifying the input dataset -- produces clusters that capture regions of dynamical similarity, in that the clusters are redistributed towards high-sensitivity regions in phase space and are described by similarity in the source terms of samples instead of the samples themselves. The algorithm is demonstrated on a complex reacting flow simulation dataset (a channel detonation configuration), where the dynamics in the thermochemical composition space are known through the highly nonlinear and stiff Arrhenius-based chemical source terms. Interpretations of cluster partitions in both physical space and composition space reveal how JSK-means shifts clusters produced by standard K-means towards regions of high chemical sensitivity (e.g., towards regions of peak heat release rate near the detonation reaction zone). The findings presented here illustrate the benefits of utilizing Jacobian-scaled distances in clustering techniques, and the JSK-means method in particular displays promising potential for improving former partition-based modeling strategies in reacting flow (and other multi-physics) applications.

Using machine learning to construct velocity fields from OH-PLIF images

This work utilizes data-driven methods to morph a series of time-resolved experimental OH-PLIF images into corresponding three-component planar PIV fields in the closed domain of a premixed swirl combustor. The task is carried out with a fully convolutional network, which is a type of convolutional neural network (CNN) used in many applications in machine learning, alongside an existing experimental dataset which consists of simultaneous OH-PLIF and PIV measurements in both attached and detached flame regimes. Two types of models are compared: 1) a global CNN which is trained using images from the entire domain, and 2) a set of local CNNs, which are trained only on individual sections of the domain. The locally trained models show improvement in creating mappings in the detached regime over the global models. A comparison between model performance in attached and detached regimes shows that the CNNs are much more accurate across the board in creating velocity fields for attached flames. Inclusion of time history in the PLIF input resulted in small noticeable improvement on average, which could imply a greater physical role of instantaneous spatial correlations in the decoding process over temporal dependencies from the perspective of the CNN. Additionally, the performance of local models trained to produce mappings in one section of the domain is tested on other, unexplored sections of the domain. Interestingly, local CNN performance on unseen domain regions revealed the models' ability to utilize symmetry and antisymmetry in the velocity field. Ultimately, this work shows the powerful ability of the CNN to decode the three-dimensional PIV fields from input OH-PLIF images, providing a potential groundwork for a very useful tool for experimental configurations in which accessibility of forms of simultaneous measurements are limited.