Search Heuristics, Case-Based Reasoning and Software Project Effort Prediction

This paper reports on the use of search techniques to help optimise a case-based reasoning (CBR) system for predicting software project effort. A major problem, common to ML techniques in general, has been dealing with large numbers of case features, some of which can hinder the prediction process. Unfortunately searching for the optimal feature subset is a combinatorial problem and therefore NP-hard. This paper examines the use of random searching, hill climbing and forward sequential selection (FSS) to tackle this problem. Results from examining a set of real software project data show that even random searching was better than using all available for features (average error 35.6% rather than 50.8%). Hill climbing and FSS both produced results substantially better than the random search (15.3 and 13.1% respectively), but FSS was more computationally efficient. Providing a description of the fitness landscape of a problem along with search results is a step towards the classification of search problems and their assignment to optimum search techniques. This paper attempts to describe the fitness landscape of this problem by combining the results from random searches and hill climbing, as well as using multi-dimensional scaling to aid visualisation. Amongst other findings, the visualisation results suggest that some form of heuristic-based initialisation might prove useful for this problem

Computational steering of a multi-objective genetic algorithm using a PDA

The execution process of a genetic algorithm typically involves some trial-and-error. This is due to the difficulty in setting the initial parameters of the algorithm – especially when little is known about the problem domain. The problem is magnified when applied to multi-objective optimisation, as care is needed to ensure that the final population of candidate solutions is representative of the trade-off surface. We propose a computational steering system that allows the engineer to interact with the optimisation routine during execution. This interaction can be as simple as monitoring the values of some parameters during the execution process, or could involve altering those parameters to influence the quality of the solutions produce by the optimisation process

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

GraphCombEx: A Software Tool for Exploration of Combinatorial Optimisation Properties of Large Graphs

We present a prototype of a software tool for exploration of multiple combinatorial optimisation problems in large real-world and synthetic complex networks. Our tool, called GraphCombEx (an acronym of Graph Combinatorial Explorer), provides a unified framework for scalable computation and presentation of high-quality suboptimal solutions and bounds for a number of widely studied combinatorial optimisation problems. Efficient representation and applicability to large-scale graphs and complex networks are particularly considered in its design. The problems currently supported include maximum clique, graph colouring, maximum independent set, minimum vertex clique covering, minimum dominating set, as well as the longest simple cycle problem. Suboptimal solutions and intervals for optimal objective values are estimated using scalable heuristics. The tool is designed with extensibility in mind, with the view of further problems and both new fast and high-performance heuristics to be added in the future. GraphCombEx has already been successfully used as a support tool in a number of recent research studies using combinatorial optimisation to analyse complex networks, indicating its promise as a research software tool

Local Binary Patterns as a Feature Descriptor in Alignment-free Visualisation of Metagenomic Data

Shotgun sequencing has facilitated the analysis of complex microbial communities. However, clustering and visualising these communities without prior taxonomic information is a major challenge. Feature descriptor methods can be utilised to extract these taxonomic relations from the data. Here, we present a novel approach consisting of local binary patterns (LBP) coupled with randomised singular value decomposition (RSVD) and Barnes-Hut t-stochastic neighbor embedding (BH-tSNE) to highlight the underlying taxonomic structure of the metagenomic data. The effectiveness of our approach is demonstrated using several simulated and a real metagenomic datasets

On combinatorial optimisation in analysis of protein-protein interaction and protein folding networks

Abstract: Protein-protein interaction networks and protein folding networks represent prominent research topics at the intersection of bioinformatics and network science. In this paper, we present a study of these networks from combinatorial optimisation point of view. Using a combination of classical heuristics and stochastic optimisation techniques, we were able to identify several interesting combinatorial properties of biological networks of the COSIN project. We obtained optimal or near-optimal solutions to maximum clique and chromatic number problems for these networks. We also explore patterns of both non-overlapping and overlapping cliques in these networks. Optimal or near-optimal solutions to partitioning of these networks into non-overlapping cliques and to maximum independent set problem were discovered. Maximal cliques are explored by enumerative techniques. Domination in these networks is briefly studied, too. Applications and extensions of our findings are discussed

MaaSim: A Liveability Simulation for Improving the Quality of Life in Cities

Urbanism is no longer planned on paper thanks to powerful models and 3D simulation platforms. However, current work is not open to the public and lacks an optimisation agent that could help in decision making. This paper describes the creation of an open-source simulation based on an existing Dutch liveability score with a built-in AI module. Features are selected using feature engineering and Random Forests. Then, a modified scoring function is built based on the former liveability classes. The score is predicted using Random Forest for regression and achieved a recall of 0.83 with 10-fold cross-validation. Afterwards, Exploratory Factor Analysis is applied to select the actions present in the model. The resulting indicators are divided into 5 groups, and 12 actions are generated. The performance of four optimisation algorithms is compared, namely NSGA-II, PAES, SPEA2 and eps-MOEA, on three established criteria of quality: cardinality, the spread of the solutions, spacing, and the resulting score and number of turns. Although all four algorithms show different strengths, eps-MOEA is selected to be the most suitable for this problem. Ultimately, the simulation incorporates the model and the selected AI module in a GUI written in the Kivy framework for Python. Tests performed on users show positive responses and encourage further initiatives towards joining technology and public applications.Comment: 16 page