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Feature selection in noisy label scenarios remains an understudied topic. We propose a novel genetic algorithm-based approach, the Noise-Aware Multi-Objective Feature Selection Genetic Algorithm (NMFS-GA), for selecting optimal feature subsets in binary classification with noisy labels. NMFS-GA offers a unified framework for selecting feature subsets that are both accurate and interpretable. We evaluate NMFS-GA on synthetic datasets with label noise, a Breast Cancer dataset enriched with noisy features, and a real-world ADNI dataset for dementia conversion prediction. Our results indicate that NMFS-GA can effectively select feature subsets that improve the accuracy and interpretability of binary classifiers in scenarios with noisy labels.

Traditional animal testing for toxicity is expensive, time consuming, ethically questioned, sometimes inaccurate because of the necessity to extrapolate from animal to human, and in most cases not formally validated according to modern standards. This is driving regulatory bodies and companies in backing alternative methods focusing on in silico and in vitro approaches. These are complex to implement and validate, and their wide adoption is not yet established despite legal directives providing an imperative. It is difficult to link a cell level response to effects on a whole organism, but the advances in high-throughput toxicogenomics towards elucidating the mechanism of action of substances are gradually reducing this gap and fostering the adoption of Next Generation Safety Assessment approaches. Quantitative in vitro to in vivo extrapolation (QIVIVE) methods hold the promise to reveal how to use in vitro -omics data to predict the potential for in vivo toxicity. They could improve lead compounds prioritisation, reduce time and costs, also in numbers of animal lives, and help with the complexity of extrapolating between species. We provide a description of QIVIVE state of the art, including how the problems of dosing and timing are being approached, how in silico simulation can take into account the variability of individuals, and how multiple techniques can be integrated to face complex tasks like the prediction of long term toxicity, including a close look into the open problems and challenges ahead., Comment: We authors have decided to withdraw the preprint from arXiv at this time. This decision stems from our desire to revisit and refine certain specific points in our work

The challenge in biomarker discovery using machine learning from omics data lies in the abundance of molecular features but scarcity of samples. Most feature selection methods in machine learning require evaluating various sets of features (models) to determine the most effective combination. This process, typically conducted using a validation dataset, involves testing different feature sets to optimize the model's performance. Evaluations have performance estimation error and when the selection involves many models the best ones are almost certainly overestimated. Biomarker identification with feature selection methods can be addressed as a multi-objective problem with trade-offs between predictive ability and parsimony in the number of features. Genetic algorithms are a popular tool for multi-objective optimization but they evolve numerous solutions thus are prone to overestimation. Methods have been proposed to reduce the overestimation after a model has already been selected in single-objective problems, but no algorithm existed capable of reducing the overestimation during the optimization, improving model selection, or applied in the more general multi-objective domain. We propose DOSA-MO, a novel multi-objective optimization wrapper algorithm that learns how the original estimation, its variance, and the feature set size of the solutions predict the overestimation. DOSA-MO adjusts the expectation of the performance during the optimization, improving the composition of the solution set. We verify that DOSA-MO improves the performance of a state-of-the-art genetic algorithm on left-out or external sample sets, when predicting cancer subtypes and/or patient overall survival, using three transcriptomics datasets for kidney and breast cancer., Comment: Added link to source code repository

Multi-view datasets offer diverse forms of data that can enhance prediction models by providing complementary information. However, the use of multi-view data leads to an increase in high-dimensional data, which poses significant challenges for the prediction models that can lead to poor generalization. Therefore, relevant feature selection from multi-view datasets is important as it not only addresses the poor generalization but also enhances the interpretability of the models. Despite the success of traditional feature selection methods, they have limitations in leveraging intrinsic information across modalities, lacking generalizability, and being tailored to specific classification tasks. We propose a novel genetic algorithm strategy to overcome these limitations of traditional feature selection methods for multi-view data. Our proposed approach, called the multi-view multi-objective feature selection genetic algorithm (MMFS-GA), simultaneously selects the optimal subset of features within a view and between views under a unified framework. The MMFS-GA framework demonstrates superior performance and interpretability for feature selection on multi-view datasets in both binary and multiclass classification tasks. The results of our evaluations on three benchmark datasets, including synthetic and real data, show improvement over the best baseline methods. This work provides a promising solution for multi-view feature selection and opens up new possibilities for further research in multi-view datasets.