Symbolic Model Discovery via Optimal Experimental Design

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Solution Overview

Problem

Existing experimental design methods are inefficient in optimizing the process for discovering symbolic mathematical models, as they often require numerous costly experiments and rely on pre-defined functional forms, lacking the ability to determine the necessary data points for understanding the underlying model's structure and parametrization.

Innovation Solution

A method and apparatus for optimal experimental design that jointly selects the best functional form and parametrization of a symbolic mathematical model by determining prediction values, using input-output data pairs, and updating posterior distributions to inform the design of new data points that maximize information gain while minimizing complexity and cost.

Engineering Contradictions & Design Principles

VSEngineering Contradiction Analysis

1Reliability

If multiple experiments are conducted to achieve significant data points, then the reliability of model discovery is improved, but the cost and effort increase

Engineering Contradiction:
Improvemodel discovery reliabilityVSAvoidexperimental cost and effort
Core Design Contradiction:
ReliabilityVSQuantity of substance

Solution Approach 1:

The patent performs preliminary analysis of existing data to identify which functional forms are plausible before conducting additional experiments. By pre-assessing the data to determine whether linear, quadratic, or other functional forms are supported, the method avoids conducting experiments that would not contribute to model discovery, thereby reducing unnecessary experimental cost and effort while maintaining reliability.

Inventive Principle:
Principle #10Preliminary action

Solution Approach 2:

The patent implements an iterative feedback loop where experimental results are continuously analyzed to update the set of plausible functional forms. After each experiment, the method reassesses which functional forms remain consistent with the accumulated data and adjusts subsequent experimental design accordingly. This feedback mechanism ensures that experiments are directed toward resolving specific ambiguities in model structure, improving reliability while minimizing redundant experiments.

Inventive Principle:
Principle #23Feedback

2Device complexity

If pre-defined functional forms are used in experimental design, then the device complexity is reduced, but the adaptability to discover unknown model structures decreases

Engineering Contradiction:
Improveexperimental design complexityVSAvoidmodel structure discovery capability
Core Design Contradiction:
Device complexityVSAdaptability or versatility

Solution Approach 1:

The patent employs a dynamic approach where the set of considered functional forms is not fixed but evolves iteratively based on experimental results. The method maintains a plurality of candidate functional forms (e.g., linear, quadratic, exponential) and dynamically updates which forms remain plausible as new data becomes available. This dynamic adaptation allows the system to maintain low initial complexity while progressively discovering the true model structure without requiring all functional forms to be predetermined.

Inventive Principle:
Principle #15Dynamics

Solution Approach 2:

The patent changes the parameter of functional form selection based on experimental evidence. Rather than committing to a single pre-defined functional form, the method treats the functional form itself as a parameter that can be updated as experiments proceed. By analyzing whether data supports linear, quadratic, or other relationships and adjusting the set of plausible functional forms accordingly, the system achieves both simplicity in individual experimental designs and adaptability in overall model discovery.

Inventive Principle:
Principle #35Parameter changes

3Productivity

If data-driven approaches are used for model derivation, then scalability is improved, but interpretability and predictive power outside training set decrease

Engineering Contradiction:
Improvemodel derivation speedVSAvoidpredictive power outside training set
Core Design Contradiction:
ProductivityVSReliability

Solution Approach 1:

The patent segments the model discovery process into distinct phases: (1) identifying plausible functional forms from existing data, (2) determining parameter values for selected functional forms, and (3) validating models against new experimental data. This segmentation allows the method to efficiently use data-driven approaches for initial model identification while maintaining the ability to interpret and validate models structurally, thereby preserving both scalability and predictive power.

Inventive Principle:
Principle #1Segmentation

Solution Approach 2:

The patent introduces experimental design as an intermediary between raw data and final model selection. Rather than directly deriving models from large datasets, the method uses carefully designed experiments as intermediaries to probe specific aspects of system behavior. This intermediary approach enables efficient model derivation while ensuring that discovered models have predictive power by explicitly testing them against targeted experimental results rather than relying solely on training data patterns.

Inventive Principle:
Principle #24Intermediary (Mediator)

Data Source

PatentUS11657194B2Experimental design for symbolic model discovery
Publication Date: 2023.05.23 INTERNATIONAL BUSINESS MACHINE CORPORATION
  • US11657194B2 patent drawing
  • US11657194B2 patent drawing
  • US11657194B2 patent drawing

AI summary

A method for optimal design of experiments for joint model selection and parametrization determination of a symbolic mathematical model includes: determining a prediction value for a given inquiry data point, functional form and parameterization for conducting an experiment relating to a system under investigation; assuming a set of input-output data pairs as a starting point in a model discovery process relating to the system under investigation; performing discovery of symbolic models minimizing complexity for a bounded misfit, or minimizing a misfit measure, subject to bounded complexity; determining a new data point through optimal experimental design that informs best as for the underlying symbolic models; and updating a posterior distribution, given results of the experiment relating to the system under investigation for the determined new data point to enable informed assessment among a plurality of functional forms and parameterizations. An apparatus configured to perform the method is also provided.