AutoSAM: an Agentic Framework for Automating Input File Generation for the SAM Code with Multi-Modal Retrieval-Augmented Generation

In the design and safety analysis of advanced reactor systems, constructing input files for system-level thermal-hydraulics codes such as the System Analysis Module (SAM) remains a labor-intensive task. Analysts must extract and reconcile design data from heterogeneous engineering documents and manually translate it into solver-specific syntax. In this paper, we present AutoSAM, an agentic framework that automates SAM input file generation. The framework combines a large language model agent with retrieval-augmented generation over the solver's user guide and theory manual, together with specialized tools for analyzing PDFs, images, spreadsheets, and text files. AutoSAM ingests unstructured engineering documents, including system diagrams, design reports, and data tables, extracts simulation-relevant parameters into a human-auditable intermediate representation, and synthesizes validated, solver-compatible input decks. Its multimodal retrieval pipeline integrates scientific text extraction, vision-based figure interpretation, semantic embedding, and query answering. We evaluate AutoSAM on four case studies of increasing complexity: a single-pipe steady-state model, a solid-fuel channel with temperature reactivity feedback, the Advanced Burner Test Reactor core, and the Molten Salt Reactor Experiment primary loop. Across all cases, the agent produces runnable SAM models consistent with expected thermal-hydraulic behavior while explicitly identifying missing data and labeling assumed values. The framework achieves 100% utilization of structured inputs, about 88% extraction from PDF text, and 100% completeness in vision-based geometric extraction. These results demonstrate a practical path toward prompt-driven reactor modeling, in which analysts provide system descriptions and supporting documentation while the agent translates them into transparent, and executable, SAM simulations.

Automating Data-Driven Modeling and Analysis for Engineering Applications using Large Language Model Agents

Modern engineering increasingly relies on vast datasets generated by experiments and simulations, driving a growing demand for efficient, reliable, and broadly applicable modeling strategies. There is also heightened interest in developing data-driven approaches, particularly neural network models, for effective prediction and analysis of scientific datasets. Traditional data-driven methods frequently involve extensive manual intervention, limiting their ability to scale effectively and generalize to diverse applications. In this study, we propose an innovative pipeline utilizing Large Language Model (LLM) agents to automate data-driven modeling and analysis, with a particular emphasis on regression tasks. We evaluate two LLM-agent frameworks: a multi-agent system featuring specialized collaborative agents, and a single-agent system based on the Reasoning and Acting (ReAct) paradigm. Both frameworks autonomously handle data preprocessing, neural network development, training, hyperparameter optimization, and uncertainty quantification (UQ). We validate our approach using a critical heat flux (CHF) prediction benchmark, involving approximately 25,000 experimental data points from the OECD/NEA benchmark dataset. Results indicate that our LLM-agent-developed model surpasses traditional CHF lookup tables and delivers predictive accuracy and UQ on par with state-of-the-art Bayesian optimized deep neural network models developed by human experts. These outcomes underscore the significant potential of LLM-based agents to automate complex engineering modeling tasks, greatly reducing human workload while meeting or exceeding existing standards of predictive performance.

Bayesian optimized deep ensemble for uncertainty quantification of deep neural networks: a system safety case study on sodium fast reactor thermal stratification modeling

Accurate predictions and uncertainty quantification (UQ) are essential for decision-making in risk-sensitive fields such as system safety modeling. Deep ensembles (DEs) are efficient and scalable methods for UQ in Deep Neural Networks (DNNs); however, their performance is limited when constructed by simply retraining the same DNN multiple times with randomly sampled initializations. To overcome this limitation, we propose a novel method that combines Bayesian optimization (BO) with DE, referred to as BODE, to enhance both predictive accuracy and UQ. We apply BODE to a case study involving a Densely connected Convolutional Neural Network (DCNN) trained on computational fluid dynamics (CFD) data to predict eddy viscosity in sodium fast reactor thermal stratification modeling. Compared to a manually tuned baseline ensemble, BODE estimates total uncertainty approximately four times lower in a noise-free environment, primarily due to the baseline's overestimation of aleatoric uncertainty. Specifically, BODE estimates aleatoric uncertainty close to zero, while aleatoric uncertainty dominates the total uncertainty in the baseline ensemble. We also observe a reduction of more than 30% in epistemic uncertainty. When Gaussian noise with standard deviations of 5% and 10% is introduced into the data, BODE accurately fits the data and estimates uncertainty that aligns with the data noise. These results demonstrate that BODE effectively reduces uncertainty and enhances predictions in data-driven models, making it a flexible approach for various applications requiring accurate predictions and robust UQ.