ASCEND: Personal AI Agents for Autonomous Scientific Computing Across HPC Clusters and GPU Workstations
On the map: LLM agents and tool use → Software engineering coding agents
Abstract (arXiv)
Traditional scientific computing requires researchers to translate intent into environment configuration, resource requests, and executable jobs, then diagnose failures from scheduler and application logs. We present ASCEND (Autonomous Scientific Computing Engine and Novel Discovery), an AI-powered agent system, operated through a command-line or a local web chat interface, that runs the agent on the researcher's own laptop, reaching Slurm clusters and a GPU workstation over multiplexed authenticated SSH, with site-specific execution policies checked by locally executed tools. The language-model agent (Claude Code or Codex, chosen at each launch) is hosted remotely and holds no credentials; an account on each resource suffices, and a public installer links additional clusters or workstations. We report four recorded cases: (1) the agent closed a failure-recovery loop on a planted tensor-device fault, submitting, diagnosing, repairing, and resubmitting it; (2) it reproduced the published evaluation of a weather-forecasting model, recovering an incompletely stated evaluation protocol and agreeing with the published curves to 2.1% (z500) and 2.4% (t850), while identifying two discrepancies in the paper's released materials; (3) it parallelized a released 12,693-line geophysical solver under a requirement of bit-for-bit identity of exported outputs, reducing runtime from about twelve hours to about two; (4) that requirement exposed two instances of undefined behavior in the published solver, both repaired and reported upstream. These cases used ordinary scheduler commands; a separate, pre-specified evaluation of the optional policy validator rejected 29 of 30 constructed violations, held one for approval, and denied 3 of 14 legitimate requests. Autonomy was exercised under author supervision, and agent transcripts were not retained, so intervention rates are not independently verifiable.
Key facts. No citing papers in the map yet (data through 7 Oct 2026). Placed in Software engineering coding agents, one of 16 directions in LLM agents and tool use. Builds on 18 of its 35 references that are in the map. First posted on arXiv 26 Sep 2026.
Builds on
18 of 35 references.
Closest ancestors · 5
Same direction, newest first
- 2026Hierarchical Server Architecture for Agentic Science5 Aug
- 2026EngiAI: Capability-Based Evaluation of Tool-Connected LLM Agents for Engineering Design19 May
- 2025VibeCodeHPC: An Agent-Based Iterative Prompting Auto-Tuner for HPC Code Generation Using LLMs26 Sep
- 2024SWE-agent: Agent-Computer Interfaces Enable Automated Software Engineering6 May
- 2024RepairAgent: An Autonomous, LLM-Based Agent for Program Repair25 Mar
Other references · 13
- 2022ReAct: Synergizing Reasoning and Acting in Language Modelscited by 8,355
- 2023Reflexion: Language Agents with Verbal Reinforcement Learningcited by 4,064
- 2024The AI Scientist: Towards Fully Automated Open-Ended Scientific Discoverycited by 1,002
- 2025The AI Scientist-v2: Workshop-Level Automated Scientific Discovery via Agentic Tree Searchcited by 375
- 2023WeatherBench 2: A benchmark for the next generation of data-driven global weather modelscited by 227
- 2022Forecasting Global Weather with Graph Neural Networkscited by 165
- 2019Parsl: Pervasive Parallel Programming in Pythoncited by 36
- 2025Empowering Scientific Workflows with Federated Agentscited by 16
- 2025Foam-Agent: A Large Language Model-Based Multi-Agent Framework for Automating Computational Fluid Dynamics Workflowscited by 9
- 2024Chat AI: A Seamless Slurm-Native Solution for HPC-Based Servicescited by 6
- 2026Trusted Credentials, Untrusted Behavior: Benchmarking LLM-Agent Security in High-Performance Computingcited by 3
- 2019FirecREST: RESTful API on Cray XC systemscited by 2
1 more
- 2026Descriptive Execution of HPC Applications and Workflowscited by 1
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- 2026Plausible but Wrong: A case study on Agentic Failures in Astrophysical Workflows
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