Protein secondary structure prediction through a novel framework of secondary structure transition sites and new encoding schemes
Bibliographic record
Abstract
In this paper, we propose an ab initio two-stage protein secondary structure (PSS) prediction model through a novel framework of PSS transition site prediction by using Artificial Neural Networks (ANNs) and Genetic Programming (GP). In the proposed classifier, protein sequences are encoded by new amino acid encoding schemes derived from genetic Codon mappings, Clustering and Information theory. In the first stage, sequence segments are mapped to regions in the Ramachandran map (2D-plot), and weight scores are computed by using statistical information derived from clusters. In addition, score vectors are constructed for the mapped regions using the weight scores and PSS transition sites. The score vectors have fewer dimensions compared to those of commonly used encoding schemes and protein profile. In the second stage, a two-tier classifier is employed based on an ANN and a GP method. The performance of the two-stage classifier is compared to the state-of-the-art cascaded Machine Learning methods which commonly employ ANNs. The prediction method is examined with the latest dataset of nonhomologous protein sequences, PISCES [1]. The experimental results and statistical analyses indicate a significantly higher distribution of Q3scores, approximately 7% with p-value <; 0.001, in comparison to that of cascaded ANN architectures. PSS transition sites are valuable information about the topological property of protein sequences and incorporating the information improves the overall performance of the PSS prediction model.
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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 | 0.000 | 0.001 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.000 | 0.000 |
| Bibliometrics | 0.001 | 0.000 |
| 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".