arXiv subjects

Mehmet Mercangöz

Publications and source records attributed to Mehmet Mercangöz.

At least 19 recordsLinked to original sources

arXiv2026

A Human-in-the-Loop Bayesian Optimization Framework for Constraint-Aware Bioprocess Development

This work presents an extension to Pareto Front Guided Sampling (PFGS), a Human-in-the-Loop (HitL) Bayesian Optimization (BO) framework in which Gaussian process (GP) surrogate-derived quantities are reformulated as objectives of a multi-objective optimization problem, and the resulting Pareto front is exposed to a domain expert for interactive candidate selection rather than returning a single automated recommendation. The framework is extended in two directions: constrained optimization is addressed by incorporating the posterior probability of satisfying output specification limits as an explicit Pareto objective, computed analytically from the GP posterior distribution; robust optimization is addressed by a Monte Carlo sampling strategy that estimates expected lower-confidence performance over a user-defined variability of input perturbations, capturing performance degradation under likely implementation deviations. The resulting multi-dimensional Pareto representation renders trade-offs between predicted performance, model uncertainty, probabilistic constraint satisfaction, and input robustness simultaneously visible through pairwise two-dimensional projections on an interactive dashboard, enabling selection criteria to be iteratively refined as the surrogate model improves and development objectives evolve. The framework is showcased on an eight-dimensional fed-batch Chinese Hamster Ovary (CHO) cell culture simulator demonstrating systematic identification of high-performing, feasibility-compliant, and perturbation-resilient operating conditions, and illustrating how expert-defined requirements provide a principled stopping criterion and support informed allocation of experimental resources.

cs.LG↗

arXiv2026

ADMITBench: A Safety-Governed Reference Framework for Evaluating the Admissibility of Industrial LLM Advisories

This white paper presents ADMITBench, a reference framework for evaluating industrial LLM advisories at the level of the proposed action. The framework implements a versioned, safety-governed evaluation contract that checks whether a recommendation is supported by the available evidence, permitted under the stated authority and procedure, and acceptable under the plant-specific consequence checks encoded in the selected evaluation profile. In this report, \emph{safety-governed} means that eligibility is determined through explicit, non-compensatory checks derived from a versioned plant profile; it does not mean that the evaluator, model, or plant has been safety-certified. Release 0.1.0 is a public reference implementation for technical and research evaluation, not an authorisation for physical execution.

cs.AI↗

arXiv2026

An LLM-Driven Workflow for Automated Process Control Strategy Generation and Tuning from Dynamic Process Models

We present a structured large-language-model-driven workflow for automated multi-variable control design from dynamic process models. The workflow decomposes the design task into constrained code-generation steps: plant-interface construction, normalization, manipulated-variable controlled-variable (MV-CV) pairing, controller specification, closed loop simulation, scenario generation, performance evaluation and Bayesian-optimization (BO) based tuning. Generated artifacts are executed and validated before downstream tasks proceed, and failed artifacts are repaired using validation feedback. The proposed approach is demonstrated on a nonlinear gas-preheater benchmark with coupled pressure and temperature dynamics. The generated workflow produces a physically consistent decentralized PI (proportional-integral) feedback-feedforward control structure and an executable tuning environment. Bayesian optimization reduces the closed loop performance objective, which aggregates set-point tracking and disturbance-rejection errors for the controlled variables, by approximately 26.5% relative to the initial controller generated by the workflow, mainly through improved pressure-loop transient performance. This figure quantifies the automated tuning stage rather than a comparison against a manually designed controller. The results demonstrate the feasibility of using structured large-language-model-based code generation to construct executable control-design workflows, while also highlighting the need for broader validation on larger plantwide-control benchmarks.

cs.AI↗

arXiv2026

From P&ID Drawings to Process Graphs: A Multimodal Language Model Approach

Piping and instrumentation diagrams (P&IDs) encode the functional structure of process plants and are a critical yet underutilised source of engineering knowledge for digital twins and intelli-gent decision support. However, digitising legacy P&IDs remains challenging due to heterogene-ous drawing standards and the reliance of existing methods on brittle symbol recognition and rule-based connectivity reconstruction. This work reframes P&ID digitization as the extraction of equipment tags and inference of process topology, rather than graphical reproduction. We pro-pose a two-stage workflow based on multimodal large language models, in which visual extrac-tion and topology reconstruction are treated as distinct reasoning stages guided by chemical en-gineering process knowledge. The approach is evaluated on two ANSI-standard P&ID case stud-ies of increasing complexity. Results show that decomposing visual extraction and topology rea-soning yields more accurate and structurally consistent process representations than end-to-end digitization, highlighting the potential of language-model-based, knowledge-guided workflows for scalable and semantically reliable P&ID digitization.

eess.SY↗

arXiv2026

Automating Cause-Effect Specification with Knowledge Graphs and Large Language Models

Engineering specifications such as interlocks, alarm rationalization tables, and cause-and-effect (C&E) matrices remain central to process control and safety, yet their creation is still predominantly manual, document-driven, and prone to inconsistency. This paper presents a semantic-AI framework that automates the generation of C&E logic by combining a knowledge graph (KG) with a constrained large language model (LLM) layer. The KG builds on an established modular alignment ontology to represent process structure, operating modes, faults, symptoms, causes, and mitigation actions in a machine-interpretable form. The LLM then transforms this information into operator-ready safety narratives and Semantic Web Rule Language (SWRL) rules under strict ontology and vocabulary constraints, grounding the generated artifacts in the underlying semantic model. The workflow is demonstrated on a modular process plant, showing how engineering semantics, diagnostic relations, and machine-verifiable specifications can be generated from a unified knowledge representation with reduced manual effort.

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arXiv2026

A Tutorial on Autonomous Fault-Tolerant Control Using Knowledge-Grounded LLM Agents

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.

eess.SY↗

arXiv2026

A Two-Stage Reflection and Reprompting Framework for LLM-Based Solution of Petri Net Reachability Problems in Industrial Applications

Manufacturing systems exhibit strong concurrency, synchronization, and contention for shared reusable resources, which makes fast and reliable scheduling and verification challenging. Petri nets provide a rigorous formalism for modeling such discrete-event manufacturing systems, but reachability analysis and solving remain difficult for conventional graph search or optimization-based solvers, particularly under state-space explosion and evolving production requirements. Recently, Large language models (LLMs) have shown promise as flexible planners that can generate candidate action sequences from textual specifications. However, direct use of LLMs for Petri net reachability remains unreliable. This paper proposes an LLM-based solving framework augmented with a two-stage reflection and reprompting mechanism. The combined effects of reflection and re-clarification improve the accuracy of feasible sequence generation. The proposed method is evaluated on an industrial case modeled as a Petri net. Under a fixed Petri net structure, the proposed strategy is assessed on six solvable reachability configurations. The results demonstrate improved reliability and stability in solving Petri net reachability problems. The proposed framework is further evaluated across multiple LLMs, which indicates that the framework is not tied to any specific model.

eess.SY↗

arXiv2026

From Detection to Action: Using LLM Agents for Fault-Tolerant Control

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.

eess.SY↗

arXiv2026

Bayesian Optimization of a Multi-Product Chemical Reactor Using Composite Models and Partial Physics Knowledge

We study data-driven real-time economic optimization of a multi-product chemical reactor when no reliable first-principles model is available beyond a steady-state energy balance. Instead of learning the economic objective directly as a black-box function, we use a composite formulation in which Gaussian process (GP) models predict physically meaningful outputs, including product concentrations and reactor temperature, while profit is computed analytically from these predictions together with raw-material, product, and utility prices. This preserves the structure of the economic objective, makes it parametric in changing prices without needing retraining, and allows candidate operating points to be checked against the available energy balance through a physics residual. The GPs also provide predictive uncertainty, which is exploited in a Bayesian optimization (BO) framework both for data-efficient exploration and for conservative enforcement of the reactor temperature constraint through an upper confidence bound. The acquisition function additionally penalizes large energy-balance mismatch obtained by substituting the GP-predicted outputs and candidate inputs into the available steady-state energy balance. The approach is demonstrated on a benchmark simulation of a non-isothermal multi-product reactor. Relative to a trust-region safe BO implementation, the proposed method achieves better simulated economic performance within the available iteration budget. Relative to a purely data-driven BO approach that does not use the available physics information, it avoids reactor temperature constraint violations.

eess.SY↗

arXiv2025

HOFLON: Hybrid Offline Learning and Online Optimization for Process Start-Up and Grade-Transition Control

Start-ups and product grade-changes are critical steps in continuous-process plant operation, because any misstep immediately affects product quality and drives operational losses. These transitions have long relied on manual operation by a handful of expert operators, but the progressive retirement of that workforce is leaving plant owners without the tacit know-how needed to execute them consistently. In the absence of a process model, offline reinforcement learning (RL) promises to capture and even surpass human expertise by mining historical start-up and grade-change logs, yet standard offline RL struggles with distribution shift and value-overestimation whenever a learned policy ventures outside the data envelope. We introduce HOFLON (Hybrid Offline Learning + Online Optimization) to overcome those limitations. Offline, HOFLON learns (i) a latent data manifold that represents the feasible region spanned by past transitions and (ii) a long-horizon Q-critic that predicts the cumulative reward from state-action pairs. Online, it solves a one-step optimization problem that maximizes the Q-critic while penalizing deviations from the learned manifold and excessive rates of change in the manipulated variables. We test HOFLON on two industrial case studies: a polymerization reactor start-up and a paper-machine grade-change problem, and benchmark it against Implicit Q-Learning (IQL), a leading offline-RL algorithm. In both plants HOFLON not only surpasses IQL but also delivers, on average, better cumulative rewards than the best start-up or grade-change observed in the historical data, demonstrating its potential to automate transition operations beyond current expert capability.

cs.LG↗

arXiv2025

Safe Deployment of Offline Reinforcement Learning via Input Convex Action Correction

Offline reinforcement learning (offline RL) offers a promising framework for developing control strategies in chemical process systems using historical data, without the risks or costs of online experimentation. This work investigates the application of offline RL to the safe and efficient control of an exothermic polymerisation continuous stirred-tank reactor. We introduce a Gymnasium-compatible simulation environment that captures the reactor's nonlinear dynamics, including reaction kinetics, energy balances, and operational constraints. The environment supports three industrially relevant scenarios: startup, grade change down, and grade change up. It also includes reproducible offline datasets generated from proportional-integral controllers with randomised tunings, providing a benchmark for evaluating offline RL algorithms in realistic process control tasks. We assess behaviour cloning and implicit Q-learning as baseline algorithms, highlighting the challenges offline agents face, including steady-state offsets and degraded performance near setpoints. To address these issues, we propose a novel deployment-time safety layer that performs gradient-based action correction using input convex neural networks (PICNNs) as learned cost models. The PICNN enables real-time, differentiable correction of policy actions by descending a convex, state-conditioned cost surface, without requiring retraining or environment interaction. Experimental results show that offline RL, particularly when combined with convex action correction, can outperform traditional control approaches and maintain stability across all scenarios. These findings demonstrate the feasibility of integrating offline RL with interpretable and safety-aware corrections for high-stakes chemical process control, and lay the groundwork for more reliable data-driven automation in industrial systems.

eess.SY↗

arXiv2025

Leveraging LLM Agents and Digital Twins for Fault Handling in Process Plants

Advances in Automation and Artificial Intelligence continue to enhance the autonomy of process plants in handling various operational scenarios. However, certain tasks, such as fault handling, remain challenging, as they rely heavily on human expertise. This highlights the need for systematic, knowledge-based methods. To address this gap, we propose a methodological framework that integrates Large Language Model (LLM) agents with a Digital Twin environment. The LLM agents continuously interpret system states and initiate control actions, including responses to unexpected faults, with the goal of returning the system to normal operation. In this context, the Digital Twin acts both as a structured repository of plant-specific engineering knowledge for agent prompting and as a simulation platform for the systematic validation and verification of the generated corrective control actions. The evaluation using a mixing module of a process plant demonstrates that the proposed framework is capable not only of autonomously controlling the mixing module, but also of generating effective corrective actions to mitigate a pipe clogging with only a few reprompts.

cs.AI↗

arXiv2024

PC-Gym: Benchmark Environments For Process Control Problems

PC-Gym is an open-source tool for developing and evaluating reinforcement learning (RL) algorithms in chemical process control. It features environments that simulate various chemical processes, incorporating nonlinear dynamics, disturbances, and constraints. The tool includes customizable constraint handling, disturbance generation, reward function design, and enables comparison of RL algorithms against Nonlinear Model Predictive Control (NMPC) across different scenarios. Case studies demonstrate the framework's effectiveness in evaluating RL approaches for systems like continuously stirred tank reactors, multistage extraction processes, and crystallization reactors. The results reveal performance gaps between RL algorithms and NMPC oracles, highlighting areas for improvement and enabling benchmarking. By providing a standardized platform, PC-Gym aims to accelerate research at the intersection of machine learning, control, and process systems engineering. By connecting theoretical RL advances with practical industrial process control applications, offering researchers a tool for exploring data-driven control solutions.

eess.SY↗

arXiv2024

Autonomous Industrial Control using an Agentic Framework with Large Language Models

As chemical plants evolve towards full autonomy, the need for effective fault handling and control in dynamic, unpredictable environments becomes increasingly critical. This paper proposes an innovative approach to industrial automation, introducing validation and reprompting architectures utilizing large language model (LLM)-based autonomous control agents. The proposed agentic system, comprising of operator, validator, and reprompter agents, enables autonomous management of control tasks, adapting to unforeseen disturbances without human intervention. By utilizing validation and reprompting architectures, the framework allows agents to recover from errors and continuously improve decision-making in real-time industrial scenarios. We hypothesize that this mechanism will enhance performance and reliability across a variety of LLMs, offering a path toward fully autonomous systems capable of handling unexpected challenges, paving the way for robust, adaptive control in complex industrial environments. To demonstrate the concept's effectiveness, we created a simple case study involving a temperature control experiment embedded on a microcontroller device, validating the proposed approach.

cs.MA↗

arXiv2024

Control-Informed Reinforcement Learning for Chemical Processes

This work proposes a control-informed reinforcement learning (CIRL) framework that integrates proportional-integral-derivative (PID) control components into the architecture of deep reinforcement learning (RL) policies. The proposed approach augments deep RL agents with a PID controller layer, incorporating prior knowledge from control theory into the learning process. CIRL improves performance and robustness by combining the best of both worlds: the disturbance-rejection and setpoint-tracking capabilities of PID control and the nonlinear modeling capacity of deep RL. Simulation studies conducted on a continuously stirred tank reactor system demonstrate the improved performance of CIRL compared to both conventional model-free deep RL and static PID controllers. CIRL exhibits better setpoint-tracking ability, particularly when generalizing to trajectories outside the training distribution, suggesting enhanced generalization capabilities. Furthermore, the embedded prior control knowledge within the CIRL policy improves its robustness to unobserved system disturbances. The control-informed RL framework combines the strengths of classical control and reinforcement learning to develop sample-efficient and robust deep reinforcement learning algorithms, with potential applications in complex industrial systems.

eess.SY↗

arXiv2024

PI-CoF: A Bilevel Optimization Framework for Solving Active Learning Problems using Physics-Information

Physics informed neural networks (PINNs) have recently been proposed as surrogate models for solving process optimization problems. However, in an active learning setting collecting enough data for reliably training PINNs poses a challenge. This study proposes a broadly applicable method for incorporating physics information into existing machine learning (ML) models of any type. The proposed method - referred to as PI-CoF for Physics-Informed Correction Factors - introduces additive or multiplicative correction factors for pointwise inference, which are identified by solving a regularized unconstrained optimization problem for reconciliation of physics information and ML model predictions. When ML models are used in an optimization context, using the proposed approach translates into a bilevel optimization problem, where the reconciliation problem is solved as an inner problem each time before evaluating the objective and constraint functions of the outer problem. The utility of the proposed approach is demonstrated through a numerical example, emphasizing constraint satisfaction in a safe Bayesian optimization (BO) setting. Furthermore, a simulation study is carried out by using PI-CoF for the real-time optimization of a fuel cell system. The results show reduced fuel consumption and better reference tracking performance when using the proposed PI-CoF approach in comparison to a constrained BO algorithm not using physics information.

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arXiv2023

Safe Optimization of an Industrial Refrigeration Process Using an Adaptive and Explorative Framework

Many industrial applications rely on real-time optimization to improve key performance indicators. In the case of unknown process characteristics, real-time optimization becomes challenging, particularly for the satisfaction of safety constraints. In this paper, we demonstrate the application of an adaptive and explorative real-time optimization framework to an industrial refrigeration process, where we learn the process characteristics through changes in process control targets and through exploration to satisfy safety constraints. We quantify the uncertainty in unknown compressor characteristics of the refrigeration plant by using Gaussian processes and incorporate this uncertainty into the objective function of the real-time optimization problem as a weighted cost term. We adaptively control the weight of this term to drive exploration. The results of our simulation experiments indicate the proposed approach can help to increase the energy efficiency of the considered refrigeration process, closely approximating the performance of a solution that has complete information about the compressor performance characteristics.

math.OC↗

arXiv2023

Safe and Adaptive Decision-Making for Optimization of Safety-Critical Systems: The ARTEO Algorithm

We consider the problem of decision-making under uncertainty in an environment with safety constraints. Many business and industrial applications rely on real-time optimization to improve key performance indicators. In the case of unknown characteristics, real-time optimization becomes challenging, particularly because of the satisfaction of safety constraints. We propose the ARTEO algorithm, where we cast multi-armed bandits as a mathematical programming problem subject to safety constraints and learn the unknown characteristics through exploration while optimizing the targets. We quantify the uncertainty in unknown characteristics by using Gaussian processes and incorporate it into the cost function as a contribution which drives exploration. We adaptively control the size of this contribution in accordance with the requirements of the environment. We guarantee the safety of our algorithm with a high probability through confidence bounds constructed under the regularity assumptions of Gaussian processes. We demonstrate the safety and efficiency of our approach with two case studies: optimization of electric motor current and real-time bidding problems. We further evaluate the performance of ARTEO compared to a safe variant of upper confidence bound based algorithms. ARTEO achieves less cumulative regret with accurate and safe decisions.

cs.LG↗