A Predictive Target-Response Layer for a Frozen ECSM Electron-Like Packet in Measured Molecular Scattering
Authors/Creators
Description
This paper reports V38 of the ECSM electron-like packet measured-scattering programme. A previously frozen ECSM packet/reference shape failed against measured sevoflurane molecular elastic electron-scattering differential-cross-section data in V36C, while V37 extracted the empirical target-response function required to map the frozen reference shape onto the measured molecular shape. V38 advances this diagnostic step into a predictive held-out test.
A low-parameter target-response layer is introduced while keeping all frozen ECSM packet parameters fixed. The model is trained only on locked training energies 50 eV, 150 eV, and 250 eV, then evaluated on held-out energies 100 eV, 200 eV, and 300 eV. The bare ECSM reference gave a held-out mean relative residual of 1.172, while the V38 target-response model reduced the held-out mean residual to 0.185, below the predeclared pass threshold of 0.25.
The final verdict is PASS_PREDICTIVE_TARGET_RESPONSE_HELDOUT_TEST. This is not claimed as a full molecular QED calculation or recovered free-electron scattering. Rather, it shows that the V36C measured-data failure can be substantially reduced on held-out molecular scattering data by adding a constrained target-response layer without changing the frozen ECSM electron-like packet.
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A_Predictive_Target_Response_Layer_for_a_Frozen_ECSM_Electron_Like_Packet_in_Measured_Molecular_Scattering.pdf
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Additional details
Related works
- Is supplement to
- Preprint: 10.5281/zenodo.20517180 (DOI)
- Preprint: 10.5281/zenodo.20480113 (DOI)
- Preprint: 10.5281/zenodo.20489496 (DOI)
- Dataset: https://github.com/asheldrick-research/ecsm-framework/blob/main/ECSM_Electron_Like_Packet_V38_FULL_RUN_REPRODUCIBLE.ipynb (URL)
- Dataset: https://nbviewer.org/github/asheldrick-research/ecsm-framework/blob/main/ECSM_Electron_Like_Packet_V38_FULL_RUN_REPRODUCIBLE.ipynb (URL)
Software
- Repository URL
- https://asheldrick-research.github.io/ecsm-framework/
- Programming language
- Python
- Development Status
- Active