# LLM as HPC Expert: Extending RAG Architecture for HPC Data

arXiv: https://arxiv.org/abs/2501.14733 · HTML: https://mlsanity.com/paper/2501.14733/

## Key facts

- Cited by 5 papers in the map (data through 14 Oct 2026).
- Builds on 12 of its 26 references that are in the map.
- First posted on arXiv 9 Dec 2024.

## Builds on (most cited first, 12 of 12)

- [BERT: Pre-training of Deep Bidirectional Transformers for Language Understanding](https://mlsanity.com/paper/1810.04805/) (2018)
- [The Llama 3 Herd of Models](https://mlsanity.com/paper/2407.21783/) (2024)
- [Sentence-BERT: Sentence Embeddings using Siamese BERT-Networks](https://mlsanity.com/paper/1908.10084/) (2019)
- [Self-RAG: Learning to Retrieve, Generate, and Critique through Self-Reflection](https://mlsanity.com/paper/2310.11511/) (2023)
- [ColBERT: Efficient and Effective Passage Search via Contextualized Late Interaction over BERT](https://mlsanity.com/paper/2004.12832/) (2020)
- [Interleaving Retrieval with Chain-of-Thought Reasoning for Knowledge-Intensive Multi-Step Questions](https://mlsanity.com/paper/2212.10509/) (2022)
- [Precise Zero-Shot Dense Retrieval without Relevance Labels](https://mlsanity.com/paper/2212.10496/) (2022)
- [Evaluating Correctness and Faithfulness of Instruction-Following Models for Question Answering](https://mlsanity.com/paper/2307.16877/) (2023)
- [Late Chunking: Contextual Chunk Embeddings Using Long-Context Embedding Models](https://mlsanity.com/paper/2409.04701/) (2024)
- [The Landscape and Challenges of HPC Research and LLMs](https://mlsanity.com/paper/2402.02018/) (2024)
- [Scope is all you need: Transforming LLMs for HPC Code](https://mlsanity.com/paper/2308.09440/) (2023)
- [MonoCoder: Domain-Specific Code Language Model for HPC Codes and Tasks](https://mlsanity.com/paper/2312.13322/) (2023)

## Built on by (most cited first, 5 of 5)

- [EPIC: Generative AI Platform for Accelerating HPC Operational Data Analytics](https://mlsanity.com/paper/2509.16212/) (2025)
- [AstraAI: LLMs, Retrieval, and AST-Guided Assistance for HPC Codebases](https://mlsanity.com/paper/2603.27423/) (2026)
- [HPC-LLM: Practical Domain Adaptation and Retrieval-Augmented Generation for HPC Support](https://mlsanity.com/paper/2605.16347/) (2026)
- [HARGO: Heterogeneity-Aware Reward-Guided Optimization for RL Post-Training of LLMs on HPC Tasks](https://mlsanity.com/paper/2607.28301/) (2026)
- [ECAS: An Edge-Controlled Agentic System for Validation-Gated Scientific Application Execution](https://mlsanity.com/paper/2609.14211/) (2026)

## Abstract (arXiv)

High-Performance Computing (HPC) is crucial for performing advanced computational tasks, yet their complexity often challenges users, particularly those unfamiliar with HPC-specific commands and workflows. This paper introduces Hypothetical Command Embeddings (HyCE), a novel method that extends Retrieval-Augmented Generation (RAG) by integrating real-time, user-specific HPC data, enhancing accessibility to these systems. HyCE enriches large language models (LLM) with real-time, user-specific HPC information, addressing the limitations of fine-tuned models on such data. We evaluate HyCE using an automated RAG evaluation framework, where the LLM itself creates synthetic questions from the HPC data and serves as a judge, assessing the efficacy of the extended RAG with the evaluation metrics relevant for HPC tasks. Additionally, we tackle essential security concerns, including data privacy and command execution risks, associated with deploying LLMs in HPC environments. This solution provides a scalable and adaptable approach for HPC clusters to leverage LLMs as HPC expert, bridging the gap between users and the complex systems of HPC.