Uncertainty-Aware Deep Learning for Genomics Applications: Insights from an Empirical Study
- URL: http://arxiv.org/abs/2608.11054v1
- Date: Tue, 11 Aug 2026 15:23:09 GMT
- Title: Uncertainty-Aware Deep Learning for Genomics Applications: Insights from an Empirical Study
- Abstract summary: This work presents an empirical analysis of uncertainty quantification (UQ) in deep learning models, focusing on genomics applications.<n>In a series of experiments, we contrast Deep Ensembles, Bayesian Neural Networks, and Monte Carlo-dropout methods.<n>We show how uncertainty scores can be used to select high-quality predictions in protein-RNA interactions.
- Score: 0.084963488352489
- License: http://creativecommons.org/licenses/by/4.0/
- Abstract: Deep learning models have emerged as the standard computational tool for a wide range of applications in genomics. Yet, uncertainty quantification (UQ) -- and more specifically, the reliability of different uncertainty estimates in this domain -- has received little systematic attention. This work presents an empirical analysis of UQ in deep learning models, focusing on genomics applications. In a series of experiments, we contrast Deep Ensembles, Bayesian Neural Networks, and Monte Carlo-dropout methods. We assess their ability to quantify uncertainty in different scenarios, accounting for common dataset characteristics in two genomic application areas and modalities: sequence-to-activity models, and single-cell expression analysis. Our systematic comparison framework provides guidelines for the applicability and reliability of UQ methods in genomics, highlighting their strengths and limitations in different scenarios. We show that Bayesian Neural Networks are better at capturing uncertainty caused by strong class imbalance and out-of-distribution data in genomics, despite their computational disadvantages. Moreover, we show how uncertainty scores can be used to select high-quality predictions in protein-RNA interactions.
Related papers
- Calibrated and uncertain? Evaluating uncertainty estimates in binary classification models [0.0]
Rigorous statistical methods underpin the validity of scientific discovery, especially in the natural sciences.<n>We use the unifying framework of approximate Bayesian inference combined with empirical tests on carefully created synthetic classification datasets.<n>We check if the algorithms produce uncertainty estimates which reflect commonly desired properties, such as being well calibrated and exhibiting an increase in uncertainty for out-of-distribution data points.
arXiv Detail & Related papers (2025-08-15T13:17:32Z) - Conformal Prediction in Dynamic Biological Systems [0.6144680854063939]
Uncertainty quantification (UQ) is the process of systematically determining and characterizing the degree of confidence in computational model predictions.
Here, we focus on dynamic models represented by deterministic nonlinear ordinary differential equations.
We propose the use of conformal inference methods, introducing two novel algorithms that, in some instances, offer non-asymptotic guarantees.
arXiv Detail & Related papers (2024-09-04T12:20:27Z) - Provably Neural Active Learning Succeeds via Prioritizing Perplexing Samples [53.95282502030541]
Neural Network-based active learning (NAL) is a cost-effective data selection technique that utilizes neural networks to select and train on a small subset of samples.
We try to move one step forward by offering a unified explanation for the success of both query criteria-based NAL from a feature learning view.
arXiv Detail & Related papers (2024-06-06T10:38:01Z) - GenBench: A Benchmarking Suite for Systematic Evaluation of Genomic Foundation Models [56.63218531256961]
We introduce GenBench, a benchmarking suite specifically tailored for evaluating the efficacy of Genomic Foundation Models.
GenBench offers a modular and expandable framework that encapsulates a variety of state-of-the-art methodologies.
We provide a nuanced analysis of the interplay between model architecture and dataset characteristics on task-specific performance.
arXiv Detail & Related papers (2024-06-01T08:01:05Z) - Uncertainty Quantification for Molecular Property Predictions with Graph Neural Architecture Search [2.711812013460678]
We introduce AutoGNNUQ, an automated uncertainty quantification (UQ) approach for molecular property prediction.
Our approach employs variance decomposition to separate data (aleatoric) and model (epistemic) uncertainties, providing valuable insights for reducing them.
AutoGNNUQ has broad applicability in domains such as drug discovery and materials science, where accurate uncertainty quantification is crucial for decision-making.
arXiv Detail & Related papers (2023-07-19T20:03:42Z) - Single-model uncertainty quantification in neural network potentials
does not consistently outperform model ensembles [0.7499722271664145]
Neural networks (NNs) often assign high confidence to their predictions, even for points far out-of-distribution.
Uncertainty quantification (UQ) is a challenge when they are employed to model interatomic potentials in materials systems.
Differentiable UQ techniques can find new informative data and drive active learning loops for robust potentials.
arXiv Detail & Related papers (2023-05-02T19:41:17Z) - Neural State-Space Models: Empirical Evaluation of Uncertainty
Quantification [0.0]
This paper presents preliminary results on uncertainty quantification for system identification with neural state-space models.
We frame the learning problem in a Bayesian probabilistic setting and obtain posterior distributions for the neural network's weights and outputs.
Based on the posterior, we construct credible intervals on the outputs and define a surprise index which can effectively diagnose usage of the model in a potentially dangerous out-of-distribution regime.
arXiv Detail & Related papers (2023-04-13T08:57:33Z) - Modeling Uncertain Feature Representation for Domain Generalization [49.129544670700525]
We show that our method consistently improves the network generalization ability on multiple vision tasks.
Our methods are simple yet effective and can be readily integrated into networks without additional trainable parameters or loss constraints.
arXiv Detail & Related papers (2023-01-16T14:25:02Z) - The Unreasonable Effectiveness of Deep Evidential Regression [72.30888739450343]
A new approach with uncertainty-aware regression-based neural networks (NNs) shows promise over traditional deterministic methods and typical Bayesian NNs.
We detail the theoretical shortcomings and analyze the performance on synthetic and real-world data sets, showing that Deep Evidential Regression is a quantification rather than an exact uncertainty.
arXiv Detail & Related papers (2022-05-20T10:10:32Z) - Uncertainty Modeling for Out-of-Distribution Generalization [56.957731893992495]
We argue that the feature statistics can be properly manipulated to improve the generalization ability of deep learning models.
Common methods often consider the feature statistics as deterministic values measured from the learned features.
We improve the network generalization ability by modeling the uncertainty of domain shifts with synthesized feature statistics during training.
arXiv Detail & Related papers (2022-02-08T16:09:12Z) - An Uncertainty-based Human-in-the-loop System for Industrial Tool Wear
Analysis [68.8204255655161]
We show that uncertainty measures based on Monte-Carlo dropout in the context of a human-in-the-loop system increase the system's transparency and performance.
A simulation study demonstrates that the uncertainty-based human-in-the-loop system increases performance for different levels of human involvement.
arXiv Detail & Related papers (2020-07-14T15:47:37Z)
This list is automatically generated from the titles and abstracts of the papers in this site.
This site does not guarantee the quality of this site (including all information) and is not responsible for any consequences.