Design Structure Matrix Modularization with Large Language Models
Authors: Shuo Jiang, Jianxi Luo
Organizations: Department of Systems Engineering City University of Hong Kong, Hong Kong
Abstract
Design Structure Matrix (DSM) modularization, the task of partitioning system elements into cohesive modules, is a fundamental combinatorial challenge in engineering design. Traditional methods treat modularization as a pure graph optimization, without access to the engineering context embedded in the system. Building on prior work on LLM-based combinatorial optimization for DSM sequencing, this paper extends the method to modularization across five cases and three backbone LLMs. Our method achieves near-reference quality within 30 iterations without requiring specialized optimization code. Counterintuitively, domain knowledge, beneficial in sequencing, consistently impairs performance on more complex DSMs. We attribute this to semantic misalignment between the LLM's functional priors and the purely structural optimization objective, and propose the semantic-alignment hypothesis as a testable condition governing knowledge effectiveness with LLMs. Ablation studies identify the most effective input representation, objective formulation, and solution pool design for practical deployment. These findings offer practical guidance for deploying LLMs in engineering design optimization.
This paper presents a black-box evaluation framework to systematically assess the ability of Large Language Models (LLMs) to generate Design Structure Matrices (DSMs) from structured technical documentation. Motivated by the closed-source nature of current Auto-DSM pipelines, the framework introduces a reproducible methodology that benchmarks generated DSMs (GEN-DSMs) against manually validated ground-truth matrices (GT-DSMs). The evaluation integrates both single-run and multi-run perspectives, combining structural metrics (Completeness, Correctness, Coupling Density), classification metrics (Selective Accuracy, Abstention Coverage), and stability measures (Entropy, Fleiss' κ). To synthesize these aspects, a Composite Quality Score (Q) is proposed. Controlled experiments are conducted on two datasets: a fictive abstract system and a real-world refrigerator decomposition, covering variations in phrasing, parameter-dataset alignment, and system complexity. Results show that LLMs can produce structurally plausible DSMs and achieve high reproducibility under well-structured inputs, but remain sensitive to ambiguity, inconsistent dependency definitions, and prompt formulation. The findings highlight systematic sources of hallucination and abstention failure, demonstrating both the potential and current limitations of LLM-driven DSM automation. The proposed framework provides a transparent benchmark for auditing Auto-DSM pipelines and establishes foundations for integrating LLM-based decomposition methods into model-based systems engineering (MBSE) workflows.
The development of generative artificial intelligence resources enables opportunities of speeding up systems and engineering design work. This contribution introduces a framework of formal operations for assembling context in LLM-based engineering design. This framework involves the assembly of modular context units, including policy prompts, reference units with persistence, and user questions with prompt vectoring. This approach enables the systematic structuring of interactions with generative models. A formal method for evaluating modelling-as-code LLM outputs is also presented, which enables the evaluation of compliance to intent from LLM answers and thereby asses the support from LLMs for systems architecture modelling.
Large Language Model (LLM) agents are increasingly applied to engineering design tasks, yet existing evaluation frameworks do not adequately address multi-agent systems that combine simulation, retrieval, and manufacturing preparation. We introduce a benchmark suite with three evaluation dimensions: (1) a workflow benchmark with seven prompt styles targeting distinct cognitive demands-including direct tool use, semantic disambiguation, conditional branching, and working-memory tasks; (2) a Retrieval-Augmented Generation (RAG) benchmark with gated scoring isolating retrieval contributions to parameter selection; and (3) an High Performance Computing (HPC) benchmark evaluating end-to-end ML training orchestration on a SLURM cluster. Alongside the benchmark we present EngiAI, a Multi-Agent System (MAS) reference implementation built on LangGraph that operationalizes the benchmark by coordinating seven specialized agents through a supervisor architecture, unifying topology optimization, document retrieval, HPC job orchestration, and 3D printer control. Across four LLM backends and two EngiBench problems, proprietary models achieve 96-97% average task completion on Beams2D, while open-source 4B-parameter models reach 55-78%, with clear generational improvement. Conditional branching proves most challenging, with task completion dropping to 20-53% for the conditional style on Photonics2D. RAG gating confirms near-perfect retrieval-augmented scores (about 1.0) versus near-zero without retrieval, validating the evaluation design. On HPC orchestration, one model completes all pipeline steps in 100% of runs while another drops to 50%, revealing that multi-step instruction following degrades over long-running workflows.