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In the development of anti-breast cancer drugs, the quantitative structure-activity relationship model of compounds is usually used to select potential active compounds. However, the existing methods often have problems such as low model prediction performance, lack of overall consideration of the biological activity and related properties of compounds, and difficulty in directly selection candidate drugs. Therefore, this paper constructs a complete set of compound selection framework from three aspects: feature selection, relationship mapping and multi-objective optimization problem solving. In feature selection part, a feature selection method based on unsupervised spectral clustering is proposed. The selected features have more comprehensive information expression ability. In the relationship mapping part, a variety of machine learning algorithms are used for comparative experiments. Finally, the CatBoost algorithm is selected to perform the relationship mapping between each other, and better prediction performance is achieved. In the multi-objective optimization part, based on the analysis of the conflict relationship between the objectives, the AGE-MOEA algorithm is improved and used to solve this problem. Compared with various algorithms, the improved algorithm has better search performance. [ABSTRACT FROM AUTHOR]

We consider a class of problems where the objective function is the sum of a smooth function and a composition of nonconvex and nonsmooth functions. Such optimization problems arise frequently in machine learning and data processing. The proximal iteratively reweighted method has been widely used and popularized in solving these problems. In this paper, we develop an extrapolated proximal iteratively reweighted method that incorporates two different flexible inertial steps at each iteration. We first prove the subsequential convergence of the proposed method under parameter constraints. Moreover, if the objective function satisfies the Kurdyka-Łojasiewicz property, the global convergence of the new method is established. In addition, we analyze the local convergence rate by making assumptions on the Kurdyka-Łojasiewicz exponent of the objective function. Finally, numerical results on l p minimization and feature selection problems are reported to show the effectiveness and superiority of the proposed algorithm. [ABSTRACT FROM AUTHOR]

With unlabeled and high-dimensional data explosion, unsupervised feature selection has become an essential step in many machine learning and data mining tasks. Many dictionary learning based models have been successfully developed for unsupervised feature selection in recent years. These models learn an over-complete dictionary to investigate more data distribution information. However, over-complete dictionary learning will generate redundancy in the latent representations for data. Moreover, if data contain noise, dictionary learning will also yield noise in the latent representations. In this paper, we propose a novel unsupervised feature selection framework, named dictionary learning for unsupervised feature selection via dual sparse regression. In this model, dictionary learning is first embedded into a sparse regression to learn an over-complete dictionary with sparse representations for data, in which the redundancy and noise are eliminated. The data are then projected to the representations to evaluate the significance of features using the other sparse regression. We also offer an efficient algorithm to solve this problem and theoretically analyze its convergence and computational complexity, which is proportional to the data dimensionality. Finally, the evaluation results with the k-means task utilizing the selected features on 9 benchmark datasets demonstrate the superiority of our approach in terms of effectiveness and efficiency. [ABSTRACT FROM AUTHOR]

Dimension reduction is a preprocessing step in machine learning for eliminating undesirable features and increasing learning accuracy. In order to reduce the redundant features, there are data representation methods, each of which has its own advantages. On the other hand, big data with imbalanced classes is one of the most important issues in pattern recognition and machine learning. In this paper, a method is proposed in the form of a cost-sensitive optimization problem which implements the process of selecting and extracting the features simultaneously. The feature extraction phase is based on reducing error and maintaining geometric relationships between data by solving a manifold learning optimization problem. In the feature selection phase, the cost-sensitive optimization problem is adopted based on minimizing the upper limit of the generalization error. Finally, the optimization problem which is constituted from the above two problems is solved by adding a cost-sensitive term to create a balance between classes without manipulating the data. To evaluate the results of the feature reduction, the multi-class linear SVM classifier is used on the reduced data. The proposed method is compared with some other approaches on 21 datasets from the UCI learning repository, microarrays and high-dimensional datasets, as well as imbalanced datasets from the KEEL repository. The results indicate the significant efficiency of the proposed method compared to some similar approaches. [ABSTRACT FROM AUTHOR]

Feature selection is one of the main steps in preprocessing data in machine learning, and its goal is to reduce features by removing additional and noisy features. Feature selection methods and feature reduction in a dataset must consider the accuracy of the classifying algorithms. Meta-heuristic algorithms serve as the most successful and promising methods to solve this problem. Symbiotic Organisms Search (SOS) is one of the most successful meta-heuristic algorithms inspired by organisms' interaction in nature called mutualism, commensalism, and parasitism. In this paper, three SOS-based binary approaches are offered to solve the feature selection problem. In the first and second approaches, several S-shaped transfer functions and several Chaotic Tent Function-based V-shaped transfer functions called BSOSST and BSOSVT are used to make the binary SOS (BSOS). In the third approach, an advanced BSOS based on changing SOS and the chaotic Tent function operators called EBCSOS is provided. The EBCSOS algorithm uses the chaotic Tent function and the Gaussian mutation to increase usefulness and exploration. Moreover, two new operators, i.e., BMPT and BCPT, are suggested to make the commensalism and mutualism stage binary based on a chaotic function to solve the feature selection problem. Finally, the proposed BSOSST and BSOSVT methods and the advanced version of EBCSOS were implemented on 25 datasets than the basic algorithm's binary meta-heuristic algorithms. Various experiments demonstrated that the proposed EBCSOS algorithm outperformed other methods in terms of several features and accuracy. To further confirm the proposed EBCSOS algorithm, the problem of detecting spam E-mails was applied, with the results of this experiment indicating that the proposed EBCSOS algorithm significantly improved the accuracy and speed of all categories in detecting spam E-mails. [ABSTRACT FROM AUTHOR]

Searching for an optimal feature subset from a high-dimensional feature space is an NP-complete problem; hence, traditional optimization algorithms are inefficient when solving large-scale feature selection problems. Therefore, meta-heuristic algorithms are extensively adopted to solve such problems efficiently. This study proposes a regression-based particle swarm optimization for feature selection problem. The proposed algorithm can increase population diversity and avoid local optimal trapping by improving the jump ability of flying particles. The data sets collected from UCI machine learning databases are used to evaluate the effectiveness of the proposed approach. Classification accuracy is used as a criterion to evaluate classifier performance. Results show that our proposed approach outperforms both genetic algorithms and sequential search algorithms. [ABSTRACT FROM AUTHOR]