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cAPTured: Neural Reflex Arc-Inspired Fuzzy Continual Learning for Capturing in Silico Aptamer-Target Protein Interactions

2023· article· en· W4385488497 on OpenAlexaff
Aviral Chharia, Runjhun Saran, Apurva Narayan

Bibliographic record

Venuenot available
Typearticle
Languageen
FieldBiochemistry, Genetics and Molecular Biology
TopicAdvanced biosensing and bioanalysis techniques
Canadian institutionsWestern UniversityUniversity of Waterloo
Fundersnot available
KeywordsAptamerComputer scienceArtificial intelligenceIn silicoMachine learningBenchmark (surveying)Set (abstract data type)Training setData miningBiology

Abstract

fetched live from OpenAlex

Aptamers are oligonucleotides or peptides with unique binding properties for specific target molecules, and they have shown great potential in diagnostics, therapeutics, and bio-sensing. However, the current in vitro SELEX-based method for discovering new target-selective aptamers is challenging, time-consuming, and often unsuccessful in finding high-affinity aptamers. Recently, in silico methods have gained immense attention. However, since labeled interaction-pair data collection is expensive and needs highly trained specialists, available data is sparse. Further, since acquiring positive-class samples is even more challenging, available datasets showcase high-class imbalance. This makes designing deep learning models incredibly challenging, as they require a sufficiently large training set and are biased towards the dominant class. Additionally, current models cannot be updated in real-time, and end-to-end re-training is necessary for each new aptamer-target interaction pair discovery. The present work is the first to address both these challenges. We present cAPTured, a novel fuzzy continual learning method for predicting aptamer-target protein interaction pairs in a continual learning environment. cAPTured continually updates its learned feature space on a non-stationary interaction-pair data stream. We performed extensive evaluation studies and experiments to establish the effectiveness of the proposed approach. cAPTured outperforms existing methods on the benchmark dataset by a significant margin.

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.

How this classification was reachedexpand

Full frame machine prediction

Teacher imitation

Not 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.

metaresearch head score (Codex)0.001
metaresearch head score (Gemma)0.001
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Simulation or modeling · Consensus signal: Simulation or modeling
GenreCandidate signal: Empirical · Consensus signal: none
Teacher disagreement score0.007
Threshold uncertainty score0.014

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0010.001
Meta-epidemiology (narrow)0.0010.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.001
Open science0.0010.001
Research integrity0.0010.001
Insufficient payload (model declined to judge)0.0010.000

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 head0.018
GPT teacher head0.306
Teacher spread0.289 · 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

Classification

machine, unvalidated

Machine predicted; a candidate call from one source (direct Gemma or distilled Codex), not a consensus.

The models applied no category: nothing in the taxonomy fit this work.
Study designSimulation or modeling
Domainnot available
GenreEmpirical

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".

Quick stats

Citations1
Published2023
Admission routes1
Has abstractyes

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