Implementation and comparison of kernel-based learning methods to predict metabolic networks
Bibliographic record
Abstract
Metabolic pathways can be conceptualized as the biological equivalent of a data pipeline. In living cells, series of chemical reactions are carried out by different proteins called enzymes in a stepwise manner. However, many pathways remain incompletely characterized, and in some of them, not all enzyme components have been identified. Kernel methods are useful in many difficult problem areas, such as document classification and bioinformatics. Specifically, kernel methods have been used recently to predict biological networks, such as protein-protein interaction networks and metabolic networks. In this paper, we implement and compare different methods and types of data to predict metabolic networks. The methods are Penalized Kernel Matrix Regression (PKMR) and pairwise Support Vector Machine (pSVM). We develop several experiments using these methods with sequence, non-sequence, and combined data. We obtain better accuracy when the sequence data are used in both methods. Whereas when the methods are compared using the same type of data, the pSVM approach shows better accuracy. The best results are obtained with pSVM using all combined kernels.
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How this classification was reachedexpand
Full frame machine prediction
Teacher imitationNot 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.
Distilled classifier scores by category (both heads)
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.003 | 0.010 |
| Meta-epidemiology (narrow) | 0.001 | 0.000 |
| Meta-epidemiology (broad) | 0.001 | 0.001 |
| Bibliometrics | 0.001 | 0.001 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.001 | 0.002 |
| Open science | 0.002 | 0.001 |
| Research integrity | 0.001 | 0.001 |
| Insufficient payload (model declined to judge) | 0.003 | 0.001 |
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.
score_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from itClassification
machine, unvalidatedMachine predicted; a candidate call from one source (direct Gemma or distilled Codex), not a consensus.
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".