OperAItor: An Agentic Framework for Fault-Tolerant Operation of Chemical Processes

Fault recovery in process plants still relies heavily on plant operators, especially when faults fall outside predefined supervisory logic. Operators interpret alarms, procedures, P&IDs, interlocks, and process trends, then decide how to move the plant to a safe operating mode without triggering a shutdown. This paper examines how Large Language Model (LLM) agents can support such recovery decisions. The proposed framework treats the LLM as a constrained supervisory planner. It uses plant-specific knowledge to propose recovery actions, and every proposal is checked by an external validator (symbolic or simulation-based) before actuation. The paper develops three design dimensions for applying the framework: the recovery patterns for which LLM agents are useful, the validation strategies that separate admissible from inadmissible proposals, and the deployment constraints imposed by latency, knowledge engineering, safety integration, and model lifecycle management. To make the framework directly usable, two openly available executable Python environments are provided. Both re-implement established case studies, a modular mixing module and a continuous stirred-tank reactor, extended with configurable faults and defined interfaces for custom recovery and validation methods.

We propose an agentic Large Language Model (LLM) framework for active Fault-Tolerant Control (FTC) that transforms fault detection outputs into constraint-aware recovery actions grounded in plant-specific knowledge. The approach couples (i) a multi-agent workflow that decomposes operator duties into monitoring, planning, action synthesis, simulation, validation, and reprompting; (ii) a Digital Process Plant Twin (DPPT) that exposes plant data, models, and a simulation service for pre-execution testing; and (iii) a Graph Retrieval-Augmented Generation (Graph RAG) layer built on the CPSMod ontology, which organizes plant knowledge (structure, function, hybrid dynamics, control context, and fault semantics) into a graph that supports relation-aware, multi-hop retrieval for the agents. Corrective actions are generated as minimal-risk state-machine recovery paths and corresponding discrete commands or continuous setpoint adaptations, then validated deterministically against interlocks, envelopes, and dynamic feasibility before any actuation. If no acceptable plan is found within a bounded time window, control is handed to a safety fallback. The framework is evaluated in simulation on two representative benchmarks: a discrete batch Mixing Module and a Continuous Stirred-Tank Reactor (CSTR) under closed-loop PID regulation. Results with lightweight LLMs (GPT-4o-mini and GPT-4.1-mini) show that semantically grounded agents can derive valid recovery decisions within latency budgets compatible with the respective process dynamics, demonstrating a practical pathway from detection to validated corrective action across both discrete and continuous FTC tasks.

Constructing an executable chemical-process model remains manually intensive. Chemical engineers translate underspecified requests into coupled decisions about unit operations, thermodynamics, streams, specifications, degrees of freedom (DoF), initialization, solver repair, and optimization; one error can invalidate the model. CRAFTS mirrors the staged workflow of chemical engineers by decomposing simulation building into bounded subtasks assigned to seven bounded roles, with deterministic IDAES/Pyomo gates between stages. Given a natural-language request, process flowsheet diagram (PFD) evidence, and curated chemical-engineering knowledge, Input Understanding and Intent recover requirements, constraints, and process semantics; visual, topology, and specification specialists translate them into typed simulator contracts; and Debug and Optimization support bounded repair and eligible optimization. Fine-tuning is applied to the three schema-critical visual, topology, and specification roles, while the remaining roles use untuned Qwen. The resulting VisualGraphIR, TopologyIR, SpecIR, BuildPlan, and SolveReport expose unit, port, thermodynamic, numerical, and execution decisions. Compatible constructors, property packages, and runners are attached only after semantic artifacts pass engineering gates. We introduce OpenIDAES-450, a 450-case IDAES process- simulation dataset, and evaluate the complete seven-role LangChain/LangGraph workflow through solve and eligible optimization on its frozen 82-case held-out split. CRAFTS completes the prescribed validation and execution contract for for 91.5% of cases and achieves unit, stream, and directed-connection F1 scores of 0.815, 0.791, and 0.782. These results demonstrate the effectiveness of role specialization, typed intermediate representations, and deterministic engineering gates for reliable automated process-model construction.