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Building an AI simulation assistant with agentic workflows

HPC Blog



This article introduces an AWS-based demo called the "Simulation Assistant" that leverages large language models (LLMs) and an agent-tool architecture to streamline and democratize simulation workflows. The key points are:

Specifically, the article covers:

  • How the Simulation Assistant can help experts by democratizing simulation-driven problem-solving and enhancing efficiency for simulation experts
  • The architecture overview, involving a containerized Streamlit web app, Amazon Bedrock for LLMs, AWS Batch for running simulations, and other AWS services
  • The use of LangChain Agents and Tools to enable agentic behavior of LLMs, allowing them to invoke tools for specific tasks like running simulations
  • A sample workflow demonstrating how the LLM agent can interpret natural language queries, extract parameters, trigger AWS Batch jobs for simulations, and visualize results
  • Future work to integrate existing simulation codebases, ensure reproducibility and traceability, and establish guardrails for secure and responsible use
  • Conclusion highlighting the potential of this approach for revolutionizing simulation workflows and enabling human-machine collaboration


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