Fast micro-differential evolution for topological active net optimization

This paper studies the optimization problem of topological active net (TAN), which is often seen in image segmentation and shape modeling. A TAN is a topological structure containing many nodes, whose positions must be optimized while a predefined topology needs to be maintained. TAN optimization is often time-consuming and even constructing a single solution is hard to do. Such a problem is usually approached by a ``best improvement local search'' (BILS) algorithm based on deterministic search (DS), which is inefficient because it spends too much efforts in nonpromising probing. In this paper, we propose the use of micro-differential evolution (DE) to replace DS in BILS for improved directional guidance. The resultant algorithm is termed deBILS. Its micro-population efficiently utilizes historical information for potentially promising search directions and hence improves efficiency in probing. Results show that deBILS can probe promising neighborhoods for each node of a TAN. Experimental tests verify that deBILS offers substantially higher search speed and solution quality not only than ordinary BILS, but also the genetic algorithm and scatter search algorithm

Metaheuristic design of feedforward neural networks: a review of two decades of research

Over the past two decades, the feedforward neural network (FNN) optimization has been a key interest among the researchers and practitioners of multiple disciplines. The FNN optimization is often viewed from the various perspectives: the optimization of weights, network architecture, activation nodes, learning parameters, learning environment, etc. Researchers adopted such different viewpoints mainly to improve the FNN's generalization ability. The gradient-descent algorithm such as backpropagation has been widely applied to optimize the FNNs. Its success is evident from the FNN's application to numerous real-world problems. However, due to the limitations of the gradient-based optimization methods, the metaheuristic algorithms including the evolutionary algorithms, swarm intelligence, etc., are still being widely explored by the researchers aiming to obtain generalized FNN for a given problem. This article attempts to summarize a broad spectrum of FNN optimization methodologies including conventional and metaheuristic approaches. This article also tries to connect various research directions emerged out of the FNN optimization practices, such as evolving neural network (NN), cooperative coevolution NN, complex-valued NN, deep learning, extreme learning machine, quantum NN, etc. Additionally, it provides interesting research challenges for future research to cope-up with the present information processing era

Topological active model optimization by means of evolutionary methods for image segmentation

[Abstract] Object localization and segmentation are tasks that have been growing in relevance in the last years. The automatic detection and extraction of possible objects of interest is a important step for a higher level reasoning, like the detection of tumors or other pathologies in medical imaging or the detection of the region of interest in fingerprints or faces for biometrics. There are many different ways of facing this problem in the literature, but in this Phd thesis we selected a particular deformable model called Topological Active Model. This model was especially designed for 2D and 3D image segmentation. It integrates features of region-based and boundary-based segmentation methods in order to perform a correct segmentation and, this way, fit the contours of the objects and model their inner topology. The main problem is the optimization of the structure to obtain the best possible segmentation. Previous works proposed a greedy local search method that presented different drawbacks, especially with noisy images, situation quite often in image segmentation. This Phd thesis proposes optimization approaches based on global search methods like evolutionary algorithms, with the aim of overcoming the main drawbacks of the previous local search method, especially with noisy images or rough contours. Moreover, hybrid approaches between the evolutionary methods and the greedy local search were developed to integrate the advantages of both approaches. Additionally, the hybrid combination allows the possibility of topological changes in the segmentation model, providing flexibility to the mesh to perform better adjustments in complex surfaces or also to detect several objects in the scene. The suitability and accuracy of the proposed model and segmentation methodologies were tested in both synthetic and real images with different levels of complexity. Finally, the proposed evolutionary approaches were applied to a specific task in a real domain: The localization and extraction of the optic disc in retinal images

Designing algorithms to aid discovery by chemical robots

Recently, automated robotic systems have become very efficient, thanks to improved coupling between sensor systems and algorithms, of which the latter have been gaining significance thanks to the increase in computing power over the past few decades. However, intelligent automated chemistry platforms for discovery orientated tasks need to be able to cope with the unknown, which is a profoundly hard problem. In this Outlook, we describe how recent advances in the design and application of algorithms, coupled with the increased amount of chemical data available, and automation and control systems may allow more productive chemical research and the development of chemical robots able to target discovery. This is shown through examples of workflow and data processing with automation and control, and through the use of both well-used and cutting-edge algorithms illustrated using recent studies in chemistry. Finally, several algorithms are presented in relation to chemical robots and chemical intelligence for knowledge discovery

Advances in De Novo Drug Design : From Conventional to Machine Learning Methods

De novo drug design is a computational approach that generates novel molecular structures from atomic building blocks with no a priori relationships. Conventional methods include structure-based and ligand-based design, which depend on the properties of the active site of a biological target or its known active binders, respectively. Artificial intelligence, including ma-chine learning, is an emerging field that has positively impacted the drug discovery process. Deep reinforcement learning is a subdivision of machine learning that combines artificial neural networks with reinforcement-learning architectures. This method has successfully been em-ployed to develop novel de novo drug design approaches using a variety of artificial networks including recurrent neural networks, convolutional neural networks, generative adversarial networks, and autoencoders. This review article summarizes advances in de novo drug design, from conventional growth algorithms to advanced machine-learning methodologies and high-lights hot topics for further development.Peer reviewe

A Survey on Surrogate-assisted Efficient Neural Architecture Search

Neural architecture search (NAS) has become increasingly popular in the deep learning community recently, mainly because it can provide an opportunity to allow interested users without rich expertise to benefit from the success of deep neural networks (DNNs). However, NAS is still laborious and time-consuming because a large number of performance estimations are required during the search process of NAS, and training DNNs is computationally intensive. To solve the major limitation of NAS, improving the efficiency of NAS is essential in the design of NAS. This paper begins with a brief introduction to the general framework of NAS. Then, the methods for evaluating network candidates under the proxy metrics are systematically discussed. This is followed by a description of surrogate-assisted NAS, which is divided into three different categories, namely Bayesian optimization for NAS, surrogate-assisted evolutionary algorithms for NAS, and MOP for NAS. Finally, remaining challenges and open research questions are discussed, and promising research topics are suggested in this emerging field.Comment: 18 pages, 7 figure