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Record W2065395384 · doi:10.1063/1.4771797

Discrete skeletons of continua in the universal molecule model

2012· article· en· W2065395384 on OpenAlexaff
Paul G. Mezey

Bibliographic record

VenueAIP conference proceedings · 2012
Typearticle
Languageen
FieldComputer Science
TopicComputational Drug Discovery Methods
Canadian institutionsMemorial University of Newfoundland
Fundersnot available
KeywordsContext (archaeology)Extension (predicate logic)MoleculeInteger (computer science)Computer scienceMathematicsStatistical physicsPhysicsQuantum mechanicsProgramming language

Abstract

fetched live from OpenAlex

The earlier Universal Molecule model has provided some shortcuts to the recognition of interrelations between molecules, using formal transformations converting various molecules into one another. Often, the transformations are based on a formal replacement of integer parameters with continuous variables. Whereas the simplest replacement of individual discrete quantities with continua corresponds to a one-dimensional extension of the model, entire skeletons and higher-dimensional discrete structures can also be extended to higher dimensional continua. Some of these possibilities are discussed within the context of the Universal Molecule Model.

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)0.001
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: Theoretical or conceptual · Consensus signal: none
GenreCandidate signal: Empirical · Consensus signal: none
Teacher disagreement score0.961
Threshold uncertainty score0.387

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0010.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.001
Open science0.0010.000
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 head0.032
GPT teacher head0.293
Teacher spread0.261 · 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 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".

Quick stats

Citations9
Published2012
Admission routes1
Has abstractyes

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