Numerical simulation and agentic AI: accelerating scientific discovery
The NumPEx programme unveils its new strategic note on integrating agentic AI into high-performance computing (HPC). The goal? Enabling autonomous agents to formulate hypotheses, run numerical simulations and analyse the results to accelerate scientific discovery.
Why simulation changes the game
Today, AI systems mostly reason from what already exists: they can propose a molecule, a material or a wing shape, but rarely calculate their properties or test variants. Connected to supercomputers, numerical simulation removes this barrier: the agent formulates a hypothesis, runs calculations, compares the results against its objective and explores new avenues. A virtual experimentation loop that becomes invaluable when real-world trials are long, costly or dangerous.
Three commitments
Going beyond classic generative AI: connecting AI to our supercomputers to virtually test materials, molecules or climates, and multiply the hypotheses explored.
An asserted sovereignty: building on French excellence in numerical methods and scientific software rather than chasing giant models.
Trusted science: guaranteeing reproducibility, validation and auditability of calculations, with the researcher remaining in charge of setting objectives and validating results.
Act now
NumPEx calls for the immediate creation of a national task force and an independent model evaluation platform, in order to launch concrete demonstrators right away. The future of research rests on this alliance between human intuition, AI autonomy and the power of high-performance computing.
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