Hybrid Process Models Using Selective First-Principles Features

Resolve Bottlenecks,
Find Innovative Solutions
Generate Solutions

Solution Overview

Problem

Current mathematical models used in industrial plants for predicting and controlling chemical reactions and processes lack interpretability and accuracy, particularly in real-time applications, due to their complexity and reliance on either first principles or data-driven approaches, which can lead to mistrust among operators and inefficiencies in plant operations.

Innovation Solution

The implementation of Reluctant Modeling principles, prioritizing measurable features over first principles augmented features, to create simpler and more interpretable Hybrid models that combine data-driven and first principle knowledge, ensuring models are based primarily on observable data with selective incorporation of domain knowledge.

Engineering Contradictions & Design Principles

VSEngineering Contradiction Analysis

1Measurement precision

If data-driven models are used to improve prediction accuracy, then model accuracy is improved, but interpretability deteriorates

Engineering Contradiction:
Improveprediction accuracyVSAvoidinterpretability
Core Design Contradiction:
Measurement precisionVSLoss of information

Solution Approach 1:

The patent merges data-driven approaches with first principles knowledge to create hybrid models that maintain the predictive power of data-driven models while incorporating the interpretability of first principles. The system combines measured process data with fundamental chemical engineering principles to generate models that are both accurate and explainable to operators.

Inventive Principle:
Principle #5Merging (Combining)

2Reliability

If first principles models are used to improve reliability, then model reliability is improved, but device complexity deteriorates

Engineering Contradiction:
Improvemodel reliabilityVSAvoidmodel complexity
Core Design Contradiction:
ReliabilityVSDevice complexity

Solution Approach 1:

The patent extracts only the essential first principles knowledge needed for specific prediction tasks rather than implementing complete first principles models. The system selectively applies relevant fundamental principles (such as mass balance, energy balance, or specific chemical kinetics) to reduce model complexity while maintaining reliability for the target application.

Inventive Principle:
Principle #2Taking out (Extraction)

3Measurement precision

If complex models are used to improve prediction accuracy, then prediction accuracy is improved, but ease of operation deteriorates

Engineering Contradiction:
Improveprediction accuracyVSAvoidease of operation
Core Design Contradiction:
Measurement precisionVSEase of operation

Solution Approach 1:

The patent segments complex models into modular components that can be independently understood and managed. The hybrid modeling approach divides the prediction task into parts handled by data-driven methods and parts handled by first principles, making the overall system more manageable and easier to operate while maintaining high accuracy.

Inventive Principle:
Principle #1Segmentation

Data Source

PatentUS11630446B2Reluctant first principles models
Publication Date: 2023.04.18 ASPENTECH CORPORATION
  • US11630446B2 patent drawing
  • US11630446B2 patent drawing
  • US11630446B2 patent drawing

AI summary

Computer implemented methods and systems generate an improved predicted model of an industrial process or process engineering system. The model is a function of measurable features of the subject process and selected first principle features. First principle features are selected that capture linearities in a residual of a linear model constructed using a received dataset of the subject process. The model can further be a function of a scaled spline. The scaled spline is generated by computing a spine for a measurable feature of the subject process, fitting the computer spline to the residual of the constructed linear model, and scaling the fitting spline with a scaling factor. The model results in improved predictions of behavior of the subject process by relying primarily on the data of the measurable features of the subject process.