Mechanistic State Transition Inference for Fault Isolation in Chemical Process Operations
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Keywords

Chemical process monitoring
causal mechanism discovery
multivariate time series
fine-grained fault localization
causal residuals
fault propagation
process anomaly detection

Abstract

Continuous chemical production systems generate multivariate time series from reactor temperature, feed flow, pressure, pH, catalyst activity, cooling-water rate, reflux ratio, product concentration, and valve opening signals. These variables interact through reaction kinetics, heat transfer, material balance, and feedback control loops. A small abnormal change in feed composition or cooling efficiency may propagate through the process and appear as delayed deviations in several downstream variables. This study proposes a causal mechanism discovery method for fine-grained fault localization in chemical process time series. The method first constructs a time-lagged causal graph by combining conditional independence testing, Granger constraints, and process-control knowledge. A causal residual estimator is then used to compare observed trajectories with expected variable behavior under normal causal mechanisms. Finally, abnormal variables are ranked by their causal contribution to system-level deviation, separating primary fault variables from secondary responses. Experiments are conducted on a continuous chemical process dataset containing 36 production units, 128 process variables, and 5-second records collected over 164 operating days. The dataset contains 362 million timestamped observations and 1,870 engineer-confirmed abnormal episodes, including cooling-loop degradation, feed-pump instability, reactor-pressure oscillation, catalyst deactivation, reflux-control failure, and product concentration drift. The proposed method reduces median root-cause localization time from 42.6 minutes to 12.8 minutes compared with a correlation-based temporal baseline. The mean reciprocal rank for initiating-variable localization reaches 0.836. Causal path analysis assigns 1,430 abnormal episodes to interpretable fault-propagation chains, while unnecessary unit inspection tickets decrease from 1,120 to 418. The full plant-level assessment is completed in 10.6 minutes. The results show that causal mechanism discovery can improve fine-grained anomaly localization in highly coupled chemical process monitoring.

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