LLMs in Process Diagram Engineering: From Optimal PFDs to Validated P&IDs

Nowadays, the creation of a process flow diagram (PFD) and its subsequent transformation into a piping and instrumentation diagram (P&ID) is predominantly performed manually. Applying artificial intelligence in the task could potentially lead not only to process automation and time savings, but also to financial gains by exploring numerous diagram's topology options and reducing manual labor. This research presents P&ID Pilot - a practical end-to-end AI pipeline capable of handling flowsheet developing for both stages. The first stage focuses on PFD synthesis, whereas the second is directed toward modifying the generated PFD into P&ID. After comparing four different methods, the hybrid approach combining genetic algorithms (GA) and large language models (LLM) is shown to generate the optimal valid PFD topology, achieving the lowest loss value among all the methods, while satisfying the required outlet flow parameters without engineering-rule violations. For the second stage, the proposed LLM-based agent successfully transforms the generated PFD into a source-grounded P&ID by producing validated, executable modifications through a restricted engineering software development kit, achieving 100% execution success while maintaining compliance with domain-specific rules and reference graph structures. This unified pipeline - coupling GA/LLM-driven synthesis with an LLM-based transformation agent - offers a feasible path toward end-to-end process design automation by producing validated, deployable outputs and substantially reduces manual engineering effort.

Code evolution for link prediction in complex networks

The problem of predicting links in complex networks appears in different disciplines and has led to a variety of ingenious human-designed methods. We use this rich program space to explore the performance and behavior of automated code-evolution systems tasked to obtain machine-designed methods for link prediction. Despite being trained on limited data, algorithms evolved through code evolution outperform human-designed methods (with an average AUC score of 0.915 vs. 0.783, computed over 580 networks) and show improved computational efficiency, allowing them to be applied to networks with millions of links. The discovered methods follow approaches that have been employed in human-designed methods, but contain key innovations in the selection and combination of node- and link-features. This illustrates the role modern large language models and genetic algorithms can play in algorithmic innovation and scientific discovery more generally.