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Record W4405474825 · doi:10.1107/s1600576724010872

Error evaluation of partial scattering functions obtained from contrast-variation small-angle neutron scattering

2024· article· en· W4405474825 on OpenAlexaff
Koichi Mayumi, T. Oda, Shinya Miyajima, Ippei Obayashi, Kazuaki Tanaka

Bibliographic record

VenueJournal of Applied Crystallography · 2024
Typearticle
Languageen
FieldMaterials Science
TopicX-ray Diffraction in Crystallography
Canadian institutionsArtificial Intelligence in Medicine (Canada)
FundersMinistry of Education, Culture, Sports, Science and Technology
KeywordsScatteringSmall-angle neutron scatteringNeutron scatteringBiological small-angle scatteringComputational physicsSmall-angle scatteringPhysicsOpticsScattering lengthNeutronMaterials scienceNuclear physics

Abstract

fetched live from OpenAlex

Contrast-variation small-angle neutron scattering (CV-SANS) is a powerful tool to evaluate the structure of multi-component systems by decomposing the scattering intensities I measured with different scattering contrasts into partial scattering functions S of self- and cross-correlations between components. The measured I contains a measurement error Δ I , and Δ I results in an uncertainty in the partial scattering functions Δ S . However, the error propagation from Δ I to Δ S has not been quantitatively clarified. In this work, we have established deterministic and statistical approaches to determine Δ S from Δ I . We have applied the two methods to (i) computational data for a core–shell sphere, and experimental CV-SANS data of (ii) clay/polyethylene glycol aqueous solutions and (iii) polyrotaxane solutions, and have successfully estimated the errors in S . The quantitative error estimation in S offers a strategy to optimize the combination of scattering contrasts to minimize error propagation.

Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.

How this classification was reachedexpand

Full frame machine prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.

metaresearch head score (Codex)0.007
metaresearch head score (Gemma)0.019
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: none
GenreCandidate signal: Empirical · Consensus signal: none
Teacher disagreement score0.007
Threshold uncertainty score0.037

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0070.019
Meta-epidemiology (narrow)0.0010.000
Meta-epidemiology (broad)0.0010.001
Bibliometrics0.0020.001
Science and technology studies0.0010.001
Scholarly communication0.0010.001
Open science0.0010.001
Research integrity0.0010.001
Insufficient payload (model declined to judge)0.0010.000

Machine scores (provisional)

The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.

Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.

Opus teacher head0.028
GPT teacher head0.270
Teacher spread0.242 · how far apart the two teachers sit on this one work
Validation statusscore_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it

Classification

machine, unvalidated

Machine predicted; a candidate call from one source (direct Gemma or distilled Codex), not a consensus.

The models applied no category: nothing in the taxonomy fit this work.
Study designBench or experimental
Domainnot available
GenreEmpirical

How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".

Quick stats

Citations3
Published2024
Admission routes1
Has abstractyes

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