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Data-driven advice for applying machine learning to bioinformatics problems
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As the bioinformatics field grows, it must keep pace not only with new data but with new algorithms. Here we contribute a thorough analysis of 13 state-of-the-art, commonly used machine learning algorithms on a set of 165 publicly available classification problems in order to provide data-driven algorithm recommendations to current researchers. We present a number of statistical and visual comparisons of algorithm performance and quantify the effect of model selection and algorithm tuning for each algorithm and dataset. The analysis culminates in the recommendation of five algorithms with hyperparameters that maximize classifier performance across the tested problems, as well as general guidelines for applying machine learning to supervised classification problems.
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“Although prior work has found that some fields will benefit from the use of ML methods,84”
From Leakage and the reproducibility crisis in machine-learning-based science (2023) · cites this paper as [84]
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“Extreme gradient boosting algorithm (DART [Dropouts meet Multiple Additive Regression Trees]) was used for model training, as it was the most efficient method in similar studies [33,37,58].”
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Metadata
- Authors
- Olson, R. S., Cava, W. L., Mustahsan, Z., Varik, A., & Moore, J. H.
- Affiliations
- University of Pennsylvania (US)
- Venue
- Biocomputing 2018
- Publisher
- WORLD SCIENTIFIC
- Published
- 2017-11-17
- Volume
- 23
- Pages
- 192-203
- PMC
- PMC5890912
- OpenAlex
- W2749093116
- Cited by
- 287
- References
- 4
- Citations by year
- 2026: 7 · 2025: 19 · 2024: 33 · 2023: 32 · 2022: 50 · 2021: 43 · 2020: 48 · 2019: 31 · 2018: 24
- FWCI
- 104.80
- Type
- conference paper
- Language
- en
- Open access
- hybrid
- doi.org
- Licence
- cc-by-nc
- Locations
- Pacific Symposium on Biocomputing (PSB) (publishedVersion, cc-by-nc)
- PubMed (publishedVersion)
- Europe PMC (PubMed Central) (acceptedVersion)
- PubMed Central (acceptedVersion)
- arXiv (Cornell University) (submittedVersion)
- arXiv (Cornell University)
- Funders
- University of Pennsylvania (ES013508)
- University of the Pacific
- University of Pennsylvania Health System
- National Institutes of Health (1uc4dk112217-01, DK112217, ES013508)
- National Institute of Allergy and Infectious Diseases (R01AI116794)
- National Institute of Diabetes and Digestive and Kidney Diseases (UC4-DK-112217, U01DK112217)
- National Institute of Environmental Health Sciences (P30ES013508)
- U.S. National Library of Medicine (R01LM012601)
- Topics
- Life Sciences › Biochemistry, Genetics and Molecular Biology › Molecular Biology › Machine Learning in Bioinformatics
- Physical Sciences › Computer Science › Artificial Intelligence › Machine Learning and Data Classification
- Life Sciences › Biochemistry, Genetics and Molecular Biology › Molecular Biology › Gene expression and cancer classification
- Keywords
- machine learning algorithm comparison, bioinformatics classification, algorithmic recommendation, hyperparameter optimization, model selection, supervised classification, classification performance, data-driven recommendation
- MeSH terms
- Supervised Machine Learning, Algorithms, Humans, Linear Models, Databases, Factual, Nonlinear Dynamics, Computational Biology
About these checks
Registry, retraction, Cites and statistics results are computed, not judged, with one exception: a printed reference that no index lists is read once by a model before it counts as a citation error. Claims are extracted by a model and kept only when their quote appears verbatim in the text; each cited source is then checked, with a model’s help, for whether it says what the claim relies on. Those verdicts can be wrong — read the claim’s quote and the cited source before relying on one.
Statistics and arithmetic are recomputed, not judged.
Confidence bands are shown only for fields calibrated on our annotated test set. None is calibrated yet, so no band is shown.
What counts as a claim ›How we measure confidence ›How we check this ›
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