Method Profile

MAPLE Provenance Records for Literature-Based QSP Calibration

Two structured record types link literature measurements to parameter priors or complete-model endpoints, with automated checks followed by scientific curation.

Tumor ModelsComputational Models
Trees frame a road and university buildings at Johns Hopkins University’s Homewood campus.
Johns Hopkins University’s Homewood campus in Baltimore, photographed in 2023. (Chris Rycroft, CC BY 2.0)

Research Applications

Make literature-derived calibration constraints and the modeler’s translation assumptions inspectable and reproducible.

Model & Design

One pancreatic ductal adenocarcinoma QSP model, with isolated experimental targets and baseline, GVAX ± nivolumab, and progression endpoints.

Experimental Format

MAPLE v0.1.0 drafts SubmodelTarget and CalibrationTarget records, validates references/values/units/code, records human revisions and generates joint inference code for shared parameters.

Model Components

  • Component

    Corpus

    Description

    37 SubmodelTargets and 45 CalibrationTargets: 26 baseline, 18 treatment-related and 1 progression endpoint.

  • Component

    Provenance fields

    Description

    Reported values, snippets, DOI/title, units, source context, forward-model or observable mapping, priors and uncertainty rationale.

Measurements & Endpoints

  • Validation-triggered retries
  • Human field revisions
  • Resolved multi-source parameter constraints
  • Inference convergence and evidence limitations

Analysis

Separate correct extraction from scientific applicability. Source-text snippet verification was selective during curation, not part of every automated gate.

Published Evidence

  • Study Design

    Compare initial and curated structured records and instrumented retry traces in a single disease/model application.

    Study Sample

    37 parameter records; 45 full-model targets; detailed retry tracing for 18 batch SubmodelTarget runs; 18 surviving batch CalibrationTargets have paired drafts, with 27 additional interactive records.

    Comparison

    Raw batch records versus curated records; automatic gate output versus modeler decisions.

    Finding

    18 monitored extractions triggered 50 retries, with no first-attempt pass. Human curation changed forward-model type in 65%, priors in 46% and source relevance in all 37 parameter records. Nineteen unique parameters were inferred; 11 have multiple supporting targets.

    Interpretation & Limits
    • Single model, disease and modeling group limit generalization.
    • Extraction-mode comparisons used different language models and were not randomized or time-matched.
    • Convergence does not establish biological validity; one immune-division estimate remained below its expected range.

Sources

  1. Structured Schemas for Provenance-Rich, LLM-Assisted QSP Model Calibration. CPT: Pharmacometrics & Systems Pharmacology. 2026-07-31. DOI: 10.1002/psp4.70306 ↗