SARNA-Predict: A Study of RNA Secondary Structure Prediction Using Different Annealing Schedules
Bibliographic record
Abstract
This paper presents an algorithm for RNA secondary structure prediction based on simulated annealing (SA) and also studies the effect of using different types of annealing schedules. SA is known to be effective in solving many different types of minimization problems and for being able to approximate global minima in the solution space. Based on free energy minimization techniques, this permutation-based SA algorithm heuristically searches for the structure with a free energy value close to the minimum free energy DeltaG for that strand, within given constraints. Other contributions of this paper include the use of permutation-based encoding for RNA secondary structure and the swap mutation operator. Also, a detailed study of the convergence behavior of the algorithm is conducted and various annealing schedules are investigated. An evaluation of the performance of the new algorithm in terms of prediction accuracy is made via comparison with the dynamic programming algorithm mfold for thirteen individual known structures from four RNA classes (5S rRNA, Group I intron 23 rRNA, Group I intron 16S rRNA and 16S rRNA). Although dynamic programming algorithms for RNA folding are guaranteed to give the mathematically optimal (minimum energy) structure, the fundamental problem of this approach seems to be that the thermodynamic model is only accurate within 5-10%. Therefore, it is difficult for a single sequence folding algorithm to resolve which of the plausible lowest-energy structure is correct. The new algorithm showed comparable results with mfold and demonstrated a slightly higher specificity
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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 | 0.002 | 0.004 |
| 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 | 0.000 | 0.001 |
| 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".