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Record W2807027360 · doi:10.1002/jcc.25759

Bayesian uncertainty quantification in inverse modeling of electrochemical systems

2018· article· en· W2807027360 on OpenAlexafffund

Bibliographic record

VenueJournal of Computational Chemistry · 2018
Typearticle
Languageen
FieldChemistry
TopicElectrochemical Analysis and Applications
Canadian institutionsMcMaster University
FundersNatural Sciences and Engineering Research Council of Canada
KeywordsUncertainty quantificationInverse problemBayesian probabilityNoise (video)DiffusionFocus (optics)InverseMeasurement uncertaintyExperimental data

Abstract

fetched live from OpenAlex

This present study proposes a novel approach to quantifying uncertainties of constitutive relations inferred from noisy experimental data using inverse modeling. We focus on electrochemical systems in which charged species (e.g., Lithium ions) are transported in electrolyte solutions under an applied current. Such systems are typically described by the Planck‐Nernst equation in which the unknown material properties are the diffusion coefficient and the transference number assumed constant or concentration‐dependent. These material properties can be optimally reconstructed from time‐ and space‐resolved concentration profiles measured during experiments using the magnetic resonance imaging (MRI) technique. However, as the measurement data is usually noisy, it is important to quantify how the presence of noise affects the uncertainty of the reconstructed material properties. We address this problem by developing a state‐of‐the‐art Bayesian approach to uncertainty quantification in which the reconstructed material properties are recast in terms of probability distributions, allowing us to rigorously determine suitable confidence intervals. The proposed approach is first thoroughly validated using “manufactured” data exhibiting the expected behavior as the magnitude of noise is varied. Then, this approach is applied to quantify the uncertainty of the diffusion coefficient and the transference number reconstructed from experimental data revealing interesting insights. © 2018 Wiley Periodicals, Inc.

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 distilled prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. Learned from the 10,348 direct Codex labels and 10,348 direct Gemma labels. Candidate is the union of thresholded teacher heads; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels or direct frontier model labels.

metaresearch head score (Codex)0.000
metaresearch head score (Gemma)0.000
Version: codex-gemma-dda1882f352aValidation 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: Empirical
Teacher disagreement score0.423
Threshold uncertainty score0.457

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0000.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0000.000

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 head0.014
GPT teacher head0.260
Teacher spread0.246 · 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 teacher head, 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

Citations18
Published2018
Admission routes2
Has abstractyes

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