Waveform Peak Picking With Explainable Learning Data

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Solution Overview

Problem

Existing peak picking methods using machine learning lack explanatory properties for their derived results, necessitating a more accurate and illustrative approach.

Innovation Solution

A method for producing learning data that involves acquiring reference waveforms, specifying peak parts according to certain criteria, and training an estimation model using these data to output peak information in target waveforms, utilizing techniques like semantic segmentation and deep learning.

Engineering Contradictions & Design Principles

VSEngineering Contradiction Analysis

1Measurement precision

If machine learning techniques are used for peak picking, then accuracy of derived results is improved, but explanatory property of derived results deteriorates

Engineering Contradiction:
Improveaccuracy of peak pickingVSAvoidexplanatory property of results
Core Design Contradiction:
Measurement precisionVSLoss of information

Solution Approach 1:

The patent segments the peak picking task into multiple components: peak detection, peak classification, and result explanation. By dividing the complex machine learning process into separable stages, the system can maintain high accuracy through deep learning while preserving explanatory properties by separately handling the interpretation and visualization of results.

Inventive Principle:
Principle #1Segmentation

Solution Approach 2:

The patent introduces an intermediary explanation layer between the machine learning model and the final output. This intermediary component translates the black-box machine learning decisions into interpretable formats, such as visual indicators showing which features contributed to peak detection, thereby maintaining both accuracy and explanatory property.

Inventive Principle:
Principle #24Intermediary (Mediator)

2Loss of information

If conventional signal processing techniques are used for peak picking, then explanatory property of results is maintained, but accuracy of derived results deteriorates

Engineering Contradiction:
Improveexplanatory property of resultsVSAvoidaccuracy of peak picking
Core Design Contradiction:
Loss of informationVSMeasurement precision

Solution Approach 1:

The patent merges the advantages of conventional signal processing with machine learning techniques. By combining traditional methods that provide interpretability with modern deep learning that provides accuracy, the system achieves both high measurement precision and good explanatory property in peak picking results.

Inventive Principle:
Principle #5Merging (Combining)

Solution Approach 2:

The patent creates a composite approach by integrating multiple methodologies: conventional signal processing algorithms are combined with machine learning models. This composite strategy allows the system to leverage the interpretability of traditional methods while achieving the superior accuracy of modern AI techniques.

Inventive Principle:
Principle #40Composite materials

3Productivity

If automated peak picking using machine learning is implemented, then productivity is improved, but device complexity deteriorates

Engineering Contradiction:
Improveautomation efficiencyVSAvoidsystem complexity
Core Design Contradiction:
ProductivityVSDevice complexity

Solution Approach 1:

The patent implements self-service mechanisms where the machine learning model automatically performs peak detection and classification without requiring complex manual configuration. The system learns from training data and autonomously adapts to different chromatogram types, reducing the operational complexity despite the advanced algorithms employed.

Inventive Principle:
Principle #25Self-service

Solution Approach 2:

The patent performs preliminary actions by pre-training the machine learning model on extensive training data before actual peak picking operations. This preliminary training phase enables the model to handle diverse peak patterns automatically during operation, simplifying the real-time processing complexity while maintaining high productivity.

Inventive Principle:
Principle #10Preliminary action

Data Source

PatentUS12578317B2Learning data producing method, waveform analysis device, waveform analysis method, and recording medium
Publication Date: 2026.03.17 SHIMADZU CORP
  • US12578317B2 patent drawing
  • US12578317B2 patent drawing
  • US12578317B2 patent drawing

AI summary

An analysis device produces learning data for training an estimation model. More specifically, the analysis device obtains a plurality of reference waveforms. In addition, the analysis device specifies information about a peak for each of the plurality of reference waveforms according to a certain criterion. The analysis device assigns the specified information about the peak to each of the plurality of reference waveforms.