The analysis of mass spectrometry data to resolve and quantify peptide peaks in cerebral stroke samples: an evolutionary computation approach
Bibliographic record
Abstract
A preliminary investigation of cerebral stroke samples injected into a mass spectrometer is performed from an evolutionary computation perspective. The detection and resolution of peptide peaks is pursued for the purpose of automatically and accurately determining unlabeled peptide quantities. A theoretical peptide peak model is proposed and a series of experiments are then pursued (most within a distributed computing environment) along with a data preprocessing strategy that includes i) a deisotoping step followed by ii) a peak picking procedure, followed by iii) a series of evolutionary computation experiments oriented towards the investigation of their capability for achieving the aforementioned goal. Results from four different genetic algorithms and one differential evolution algorithm are reported with respect to their ability to find solutions that fit within the framework of the presented theoretical peptide peak model. Both unconstrained and constrained (as determined by a course grained preprocessing stage) solution space experiments are performed for both types of evolutionary algorithms. Good preliminary results are obtained.
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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 | 0.001 | 0.003 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.001 | 0.000 |
| Bibliometrics | 0.001 | 0.001 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.001 | 0.000 |
| Open science | 0.001 | 0.000 |
| Research integrity | 0.001 | 0.001 |
| Insufficient payload (model declined to judge) | 0.001 | 0.000 |
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.
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".