mlsanityData to 7 Oct 2026

Sketch2Simulation: Automating Flowsheet Generation via Multi Agent Large Language Models

arXiv 2603.24629 ↗First posted 25 Mar 2026cs.SE cs.AI cs.MAcited by 3

On the map: LLM agents and tool use → Medical and scientific domain agents

Abstract (arXiv)

Converting process sketches into executable simulation models remains a major bottleneck in process systems engineering, requiring substantial manual effort and simulator-specific expertise. Recent advances in generative AI have improved both engineering-diagram interpretation and LLM-assisted flowsheet generation, but these remain largely disconnected: diagram-understanding methods often stop at extracted graphs, while text-to-simulation workflows assume structured inputs rather than raw visual artifacts. To bridge this gap, we present an end-to-end multi-agent large language model system that converts process diagrams directly into executable Aspen HYSYS flowsheets. The framework decomposes the task into three coordinated layers: diagram parsing and interpretation, simulation model synthesis, and multi-level validation. Specialized agents handle visual interpretation, graph-based intermediate representation construction, code generation for the HYSYS COM interface, execution, and structural verification. We evaluate the framework on four chemical engineering case studies of increasing complexity, from a simple desalting process to an industrial aromatic production flowsheet with multiple recycle loops. The system produces executable HYSYS models in all cases, achieving complete structural fidelity on the two simpler cases and strong performance on the more complex ones, with connection consistency above 0.93 and stream consistency above 0.96. These results demonstrate a viable end-to-end sketch-to-simulation workflow while highlighting remaining challenges in dense recycle structures, implicit diagram semantics, and simulator-interface constraints.

Key facts. Cited by 3 papers in the map (data through 7 Oct 2026). Placed in Medical and scientific domain agents, one of 16 directions in LLM agents and tool use. Builds on 21 of its 67 references that are in the map. First posted on arXiv 25 Mar 2026.

Builds on

21 of 67 references.

Closest ancestors · 5

Same direction, newest first

  1. 2026CeProAgents: A Hierarchical Agents System for Automated Chemical Process Development2 Mar
  2. 2026From Text to Simulation: A Multi-Agent LLM Workflow for Automated Chemical Process Design11 Jan
  3. 2025Multi-agent systems for chemical engineering: A review and perspective11 Aug
  4. 2025LLM-guided Chemical Process Optimization with a Multi-Agent Approach26 Jun
  5. 2025AutoChemSchematic AI: Agentic Physics-Aware Automation for Chemical Manufacturing Scale-Up30 May

Other references · 16

  1. 2019Sentence-BERT: Sentence Embeddings using Siamese BERT-Networkscited by 9,049
  2. 2023Lost in the Middle: How Language Models Use Long Contextscited by 3,383
  3. 2023Self-Refine: Iterative Refinement with Self-Feedbackcited by 3,317
  4. 2023GPQA: A Graduate-Level Google-Proof Q&A Benchmarkcited by 2,748
  5. 2024Large Language Model based Multi-Agents: A Survey of Progress and Challengescited by 752
  6. 2023Faith and Fate: Limits of Transformers on Compositionalitycited by 496
  7. 2024MMMU-Pro: A More Robust Multi-discipline Multimodal Understanding Benchmarkcited by 494
  8. 2022Large Language Models are Better Reasoners with Self-Verificationcited by 304
  9. 2025TRAIL: Trace Reasoning and Agentic Issue Localizationcited by 98
  10. 2024A Mechanistic Analysis of a Transformer Trained on a Symbolic Multi-Step Reasoning Taskcited by 49
  11. 2024Autonomous Industrial Control using an Agentic Framework with Large Language Modelscited by 19
  12. 2024An Agentic Approach to Automatic Creation of P&ID Diagrams from Natural Language Descriptionscited by 12
4 more
  1. 2021Automated Synthesis of Steady-State Continuous Processes using Reinforcement Learningcited by 10
  2. 2019Automatic Information Extraction from Piping and Instrumentation Diagramscited by 9
  3. 2021Digitize-PID: Automatic Digitization of Piping and Instrumentation Diagramscited by 6
  4. 2026Large Language Model Agent for User-friendly Chemical Process Simulationscited by 5

Built on by

Cited by year (2026 to 7 Oct)

Citing papers per year: 2026: 3.

3 papers.

Similar, not cited

Close in wording, no citation either way

  1. 2026Context is all you need: Towards autonomous model-based process design using agentic AI in flowsheet simulations
  2. 2024Retrieval-Augmented Instruction Tuning for Automated Process Engineering Calculations : A Tool-Chaining Problem-Solving Framework with Attributable Reflection
  3. 2026LLM Agents Perform Controlled Experiments Using Simulation Models
  4. 2026No Test Cases, No Problem: Distillation-Driven Code Generation for Scientific Workflows
  5. 2026FlowScout: From Execution Feedback to Reliable Tool-Using Agent Workflows
  6. 2025SimuGen: Multi-modal Agentic Framework for Constructing Block Diagram-Based Simulation Models
  7. 2026Design-to-Plan: A Large Language Model-Based Multi-Agent Framework for Manufacturing Process Planning from 3D CAD Models and 2D Engineering Drawings
  8. 2024Accelerating Manufacturing Scale-Up from Material Discovery Using Agentic Web Navigation and Retrieval-Augmented AI for Process Engineering Schematics Design