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Inverse Laplace Transform Approaches to βNMR Relaxation

2023· article· en· W4362475383 on OpenAlexaff
W. A. MacFarlane, Derek Fujimoto, Ryan M. L. McFadden

Bibliographic record

VenueJournal of Physics Conference Series · 2023
Typearticle
Languageen
FieldChemistry
TopicAdvanced NMR Techniques and Applications
Canadian institutionsUniversity of British ColumbiaTRIUMF
Fundersnot available
KeywordsTikhonov regularizationLaplace transformRelaxation (psychology)Exponential functionSpin–lattice relaxationStatistical physicsInverse Laplace transformExponential decayTime constantAsymmetryNuclear magnetic resonancePhysicsMathematicsInverse problemQuantum mechanicsMathematical analysis

Abstract

fetched live from OpenAlex

Abstract Spin lattice relaxation is the simplest type of βNMR measurement. The usual approach is to implant a pulse of hyperpolarized nuclei and monitor the time-resolved β-decay asymmetry, yielding the ensemble average spin-lattice relaxation. In the simplest case, the asymmetry decays exponentially with a characteristic time constant T 1, but this ideal is rarely obtained in practice. In most data, the relaxation is more complicated. This can be the result of multiple crystallographic sites for the implanted probe each having a distinct T 1. The sample may also be inhomogeneous due to: impurities or defects (including interfaces that are particularly important for thin films), intrinsic phase separation, or, if it is a glass. There may also be a background signal from probe ions that stop outside the sample. The general approach to this problem has been the ad hoc development of an appropriate relaxation model that avoids overparametrization. Given the prevalence of more complicated relaxation, it is crucial to develop a systematic approach to relaxation modelling. The decomposition of a relaxing signal into exponentials is, however, a mathematically ill-posed problem[1]. This feature is intrinsic and unavoidable, but there are a number of methods to accommodate it for noisy real-world data, including nuclear spin relaxation[2, 3, 4]. Here we demonstrate one of the best and most commonly used methods, Tikhonov regularization for the inverse Laplace transform, implemented for the particular features of βNMR relaxation data, most importantly the strong time dependence of the statistical uncertainty stemming from the radioactive lifetime of the probe.

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)0.002
metaresearch head score (Gemma)0.004
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Theoretical or conceptual · Consensus signal: Theoretical or conceptual
GenreCandidate signal: Empirical · Consensus signal: none
Teacher disagreement score0.005
Threshold uncertainty score0.015

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0020.004
Meta-epidemiology (narrow)0.0010.000
Meta-epidemiology (broad)0.0010.001
Bibliometrics0.0010.001
Science and technology studies0.0000.001
Scholarly communication0.0010.002
Open science0.0020.001
Research integrity0.0020.003
Insufficient payload (model declined to judge)0.0050.001

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 head0.100
GPT teacher head0.285
Teacher spread0.185 · 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 designTheoretical or conceptual
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".

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Citations0
Published2023
Admission routes1
Has abstractyes

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