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

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

Visual and computational analysis of structure-activity relationships in high-throughput screening data

Novel analytic methods are required to assimilate the large volumes of structural and bioassay data generated by combinatorial chemistry and high-throughput screening programmes in the pharmaceutical and agrochemical industries. This paper reviews recent work in visualisation and data mining that can be used to develop structure-activity relationships from such chemical/biological datasets

Survey on assembly sequencing: a combinatorial and geometrical perspective

A systematic overview on the subject of assembly sequencing is presented. Sequencing lies at the core of assembly planning, and variants include finding a feasible sequence—respecting the precedence constraints between the assembly operations—, or determining an optimal one according to one or several operational criteria. The different ways of representing the space of feasible assembly sequences are described, as well as the search and optimization algorithms that can be used. Geometry plays a fundamental role in devising the precedence constraints between assembly operations, and this is the subject of the second part of the survey, which treats also motion in contact in the context of the actual performance of assembly operations.Peer ReviewedPostprint (author’s final draft

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

High performance computing for 3D image segmentation

Digital image processing is a very popular and still very promising eld of science, which has been successfully applied to numerous areas and problems, reaching elds like forensic analysis, security systems, multimedia processing, aerospace, automotive, and many more. A very important part of the image processing area is image segmentation. This refers to the task of partitioning a given image into multiple regions and is typically used to locate and mark objects and boundaries in input scenes. After segmentation the image represents a set of data far more suitable for further algorithmic processing and decision making. Image segmentation algorithms are a very broad eld and they have received signi cant amount of research interest A good example of an area, in which image processing plays a constantly growing role, is the eld of medical solutions. The expectations and demands that are presented in this branch of science are very high and dif cult to meet for the applied technology. The problems are challenging and the potential bene ts are signi cant and clearly visible. For over thirty years image processing has been applied to different problems and questions in medicine and the practitioners have exploited the rich possibilities that it offered. As a result, the eld of medicine has seen signi cant improvements in the interpretation of examined medical data. Clearly, the medical knowledge has also evolved signi cantly over these years, as well as the medical equipment that serves doctors and researchers. Also the common computer hardware, which is present at homes, of ces and laboratories, is constantly evolving and changing. All of these factors have sculptured the shape of modern image processing techniques and established in which ways it is currently used and developed. Modern medical image processing is centered around 3D images with high spatial and temporal resolution, which can bring a tremendous amount of data for medical practitioners. Processing of such large sets of data is not an easy task, requiring high computational power. Furthermore, in present times the computational power is not as easily available as in recent years, as the growth of possibilities of a single processing unit is very limited - a trend towards multi-unit processing and parallelization of the workload is clearly visible. Therefore, in order to continue the development of more complex and more advanced image processing techniques, a new direction is necessary. A very interesting family of image segmentation algorithms, which has been gaining a lot of focus in the last three decades, is called Deformable Models. They are based on the concept of placing a geometrical object in the scene of interest and deforming it until it assumes the shape of objects of interest. This process is usually guided by several forces, which originate in mathematical functions, features of the input images and other constraints of the deformation process, like object curvature or continuity. A range of very desired features of Deformable Models include their high capability for customization and specialization for different tasks and also extensibility with various approaches for prior knowledge incorporation. This set of characteristics makes Deformable Models a very ef cient approach, which is capable of delivering results in competitive times and with very good quality of segmentation, robust to noisy and incomplete data. However, despite the large amount of work carried out in this area, Deformable Models still suffer from a number of drawbacks. Those that have been gaining the most focus are e.g. sensitivity to the initial position and shape of the model, sensitivity to noise in the input images and to awed input data, or the need for user supervision over the process. The work described in this thesis aims at addressing the problems of modern image segmentation, which has raised from the combination of above-mentioned factors: the signi cant growth of image volumes sizes, the growth of complexity of image processing algorithms, coupled with the change in processor development and turn towards multi-processing units instead of growing bus speeds and the number of operations per second of a single processing unit. We present our innovative model for 3D image segmentation, called the The Whole Mesh Deformation model, which holds a set of very desired features that successfully address the above-mentioned requirements. Our model has been designed speci cally for execution on parallel architectures and with the purpose of working well with very large 3D images that are created by modern medical acquisition devices. Our solution is based on Deformable Models and is characterized by a very effective and precise segmentation capability. The proposed Whole Mesh Deformation (WMD) model uses a 3D mesh instead of a contour or a surface to represent the segmented shapes of interest, which allows exploiting more information in the image and obtaining results in shorter times. The model offers a very good ability for topology changes and allows effective parallelization of work ow, which makes it a very good choice for large data-sets. In this thesis we present a precise model description, followed by experiments on arti cial images and real medical data

A software tool for network topology analysis under a Metabolic Engineering perspective

In this work, we present a software application that runs as a plug-in over the OptFlux Metabolic Engineering platform allowing the topological analysis of metabolic networks. The major aim of this tool is to allow the interconnection between phenotype simulation tasks (using algorithms such as Flux Balance Analysis) and topological analysis of the same networks. The provided methods include node degree and degree distributions, shortest path analysis, clustering coefficients and several node rankers (betweenness and closeness centrality, hubs and authorities, etc). Also, it allows the creation of sub-networks through severalfilters, including some based on the results of phenotype simulation.(undefined

Calibration of neural networks using genetic algorithms, with application to optimal path planning

Genetic algorithms (GA) are used to search the synaptic weight space of artificial neural systems (ANS) for weight vectors that optimize some network performance function. GAs do not suffer from some of the architectural constraints involved with other techniques and it is straightforward to incorporate terms into the performance function concerning the metastructure of the ANS. Hence GAs offer a remarkably general approach to calibrating ANS. GAs are applied to the problem of calibrating an ANS that finds optimal paths over a given surface. This problem involves training an ANS on a relatively small set of paths and then examining whether the calibrated ANS is able to find good paths between arbitrary start and end points on the surface

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