mlsanityData to 14 Oct 2026

PDEFlow: Autonomous Agentic PDE Pipelines for Neural Operator Learning and Solver-Free Inference

arXiv 2607.05134 ↗First posted 6 Jul 2026cs.LG cs.AIcited by 0

On the map: LLM agents and tool use → Web, search, and research agents

Abstract (arXiv)

We present PDEFlow, an autonomous agentic framework that turns user-level ODE and PDE descriptions into solver-backed neural-operator pipelines. The workflow links problem specification, data generation, operator training, and checkpoint-based inference. A stateful input graph converts multi-turn natural-language input and user edits into validated problem specifications. The data-generation module then samples parameters, solves the configured governing-equation with FEniCSx finite-element backend, and stores the solutions as operator-ready tensors. The training and inference stages use a registry-based interface, allowing different neural operators to be trained and deployed without changing the surrounding pipeline. In the current implementation, we instantiate this interface with a multi-branch Bayesian DeepONet. Experiments on benchmark ODE and PDE tasks show that PDEFlow can construct valid specifications, generate solver-backed datasets, train neural operators across steady and transient problem classes, and provide solver-free predictions from saved checkpoints. The framework is designed for repeatable scientific and engineering workflows where many related physics configurations must be specified, simulated, learned, and queried with minimal manual intervention.

Key facts. No citing papers in the map yet (data through 14 Oct 2026). Placed in Web, search, and research agents, one of 16 directions in LLM agents and tool use. Builds on 8 of its 25 references that are in the map. First posted on arXiv 6 Jul 2026.

Builds on

8 of 25 references.

References · 8

  1. 2022ReAct: Synergizing Reasoning and Acting in Language Modelscited by 8,695
  2. 2020Fourier Neural Operator for Parametric Partial Differential Equationscited by 2,908
  3. 2019DeepONet: Learning nonlinear operators for identifying differential equations based on the universal approximation theorem of operatorscited by 2,018
  4. 2023AutoGen: Enabling Next-Gen LLM Applications via Multi-Agent Conversationcited by 1,988
  5. 2023ChemCrow: Augmenting large-language models with chemistry toolscited by 631
  6. 2022MIONet: Learning multiple-input operators via tensor productcited by 181
  7. 2022Variational Bayes Deep Operator Network: A data-driven Bayesian solver for parametric differential equationscited by 11
  8. 2025AutoChemSchematic AI: Agentic Physics-Aware Automation for Chemical Manufacturing Scale-Upcited by 6

Built on by

Not cited yet.

Similar, not cited

Close in wording, no citation either way

  1. 2026AutoNumerics: An Autonomous, PDE-Agnostic Multi-Agent Pipeline for Scientific Computing
  2. 2026EvoPINN: Agentic Discovery of Executable Algorithms for Physics-Informed Neural Networks
  3. 2026OpInf-LLM: Parametric PDE Solving with LLMs via Operator Inference
  4. 2025PDE-Agent: A toolchain-augmented multi-agent framework for PDE solving
  5. 2026Learning When to Refine: Long-Horizon Reinforcement Learning for Budgeted Neural-Operator PDE Solvers
  6. 2025CodePDE: An Inference Framework for LLM-driven PDE Solver Generation
  7. 2026An Agentic AI Scientific Community for Automated Neural Operator Discovery
  8. 2026AutoPDEBench: Benchmarking LLM Auto-Research for Neural PDE Solver Design