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Record W2130013930 · doi:10.1504/ijdmb.2013.056080

Subtree selection in kernels for graph classification

2013· article· en· W2130013930 on OpenAlex

Why this work is in the frame

A frame that forgets how it found something cannot be audited. These are the routes that admitted this work.

affAt least one author lists a Canadian institution in the pinned OpenAlex snapshot.

Bibliographic record

VenueInternational Journal of Data Mining and Bioinformatics · 2013
Typearticle
Languageen
FieldComputer Science
TopicComputational Drug Discovery Methods
Canadian institutionsUniversity of Calgary
Fundersnot available
KeywordsCheminformaticsFeature selectionComputer scienceIn silicoGraphSelection (genetic algorithm)Feature (linguistics)Data miningArtificial intelligenceMachine learningPattern recognition (psychology)Theoretical computer scienceBioinformaticsBiology

Abstract

fetched live from OpenAlex

Classification of structured data is essential for a wide range of problems in bioinformatics and cheminformatics. One such problem is in silico prediction of small molecule properties such as toxicity, mutagenicity and activity. In this paper, we propose a new feature selection method for graph kernels that uses the subtrees of graphs as their feature sets. A masking procedure which boils down to feature selection is proposed for this purpose. Experiments conducted on several data sets as well as a comparison of our method with some frequent subgraph based approaches are presented.

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.

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: Other design · Consensus signal: none
GenreCandidate signal: Methods · Consensus signal: Methods
Teacher disagreement score0.990
Threshold uncertainty score0.291

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 communication0.0000.003
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 head0.091
GPT teacher head0.360
Teacher spread0.269 · 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