Fabio Caraffini

Anna V. Kononova, Diederick Vermetten, Fabio Caraffini et al.

We argue that results produced by a heuristic optimisation algorithm cannot be considered reproducible unless the algorithm fully specifies what should be done with solutions generated outside the domain, even in the case of simple box constraints. Currently, in the field of heuristic optimisation, such specification is rarely mentioned or investigated due to the assumed triviality or insignificance of this question. Here, we demonstrate that, at least in algorithms based on Differential Evolution, this choice induces notably different behaviours - in terms of performance, disruptiveness and population diversity. This is shown theoretically (where possible) for standard Differential Evolution in the absence of selection pressure and experimentally for the standard and state-of-the-art Differential Evolution variants on special test function $f_0$ and BBOB benchmarking suite, respectively. Moreover, we demonstrate that the importance of this choice quickly grows with problem's dimensionality. Different Evolution is not at all special in this regard - there is no reason to presume that other heuristic optimisers are not equally affected by the aforementioned algorithmic choice. Thus, we urge the field of heuristic optimisation to formalise and adopt the idea of a new algorithmic component in heuristic optimisers, which we call here a strategy of dealing with infeasible solutions. This component needs to be consistently (a) specified in algorithmic descriptions to guarantee reproducibility of results, (b) studied to better understand its impact on algorithm's performance in a wider sense and (c) included in the (automatic) algorithmic design. All of these should be done even for problems with box constraints.

Stefan Kuhn, Carlos Cobas, Agustin Barba et al.

This paper presents a proof-of-concept method for classifying chemical compounds directly from NMR data without doing structure elucidation. This can help to reduce time in finding good structure candidates, as in most cases matching must be done by a human engineer, or at the very least a process for matching must be meaningfully interpreted by one. Therefore, for a long time automation in the area of NMR has been actively sought. The method identified as suitable for the classification is a convolutional neural network (CNN). Other methods, including clustering and image registration, have not been found suitable for the task in a comparative analysis. The result shows that deep learning can offer solutions to automation problems in cheminformatics.

Bas van Stein, Diederick Vermetten, Fabio Caraffini et al.

Evaluating the performance of heuristic optimisation algorithms is essential to determine how well they perform under various conditions. Recently, the BIAS toolbox was introduced as a behaviour benchmark to detect structural bias (SB) in search algorithms. The toolbox can be used to identify biases in existing algorithms, as well as to test for bias in newly developed algorithms. In this article, we introduce a novel and explainable deep-learning expansion of the BIAS toolbox, called Deep-BIAS. Where the original toolbox uses 39 statistical tests and a Random Forest model to predict the existence and type of SB, the Deep-BIAS method uses a trained deep-learning model to immediately detect the strength and type of SB based on the raw performance distributions. Through a series of experiments with a variety of structurally biased scenarios, we demonstrate the effectiveness of Deep-BIAS. We also present the results of using the toolbox on 336 state-of-the-art optimisation algorithms, which showed the presence of various types of structural bias, particularly towards the centre of the objective space or exhibiting discretisation behaviour. The Deep-BIAS method outperforms the BIAS toolbox both in detecting bias and for classifying the type of SB. Furthermore, explanations can be derived using XAI techniques.

Hassan Eshkiki, Sarah Costa, Mostafa Mohammadpour et al.

Fluorescence microscopy is widely employed for the analysis of living biological samples; however, the utility of the resulting recordings is frequently constrained by noise, temporal variability, and inconsistent visualisation of signals that oscillate over time. We present a unique computational framework that integrates information from multiple time-resolved frames into a single high-quality image, while preserving the underlying biological content of the original video. We evaluate the proposed method through an extensive number of configurations (n = 111) and on a challenging dataset comprising dynamic, heterogeneous, and morphologically complex 2D monolayers of cardiac cells. Results show that our framework, which consists of a combination of explainable techniques from different computer vision application fields, is capable of generating composite images that preserve and enhance the quality and information of individual microscopy frames, yielding 44% average increase in cell count compared to previous methods. The proposed pipeline is applicable to other imaging domains that require the fusion of multi-temporal image stacks into high-quality 2D images, thereby facilitating annotation and downstream segmentation.

Juan F. Pérez-Pérez, Pablo Isaza Gómez, Isis Bonet et al.

Climate risk assessment is becoming increasingly important. For organisations, identifying and assessing climate-related risks is challenging, as they can come from multiple sources. This study identifies and assesses the main climate transition risks in the colombian processed food sector. As transition risks are vague, our approach uses Fuzzy Logic and compares it to various multi-criteria decision-making methods to classify the different climate transition risks an organisation may be exposed to. This approach allows us to use linguistic expressions for risk analysis and to better describe risks and their consequences. The results show that the risks ranked as the most critical for this organisation in their order were price volatility and raw materials availability, the change to less carbon-intensive production or consumption patterns, the increase in carbon taxes and technological change, and the associated development or implementation costs. These risks show a critical risk level, which implies that they are the most significant risks for the organisation in the case study. These results highlight the importance of investments needed to meet regulatory requirements, which are the main drivers for organisations at the financial level.

Adebamigbe Fasanmade, Ali H. Al-Bayatti, Jarrad Neil Morden et al.

Risk mitigation techniques are critical to avoiding accidents associated with driving behaviour. We provide a novel Multi-Class Driver Distraction Risk Assessment (MDDRA) model that considers the vehicle, driver, and environmental data during a journey. MDDRA categorises the driver on a risk matrix as safe, careless, or dangerous. It offers flexibility in adjusting the parameters and weights to consider each event on a specific severity level. We collect real-world data using the Field Operation Test (TeleFOT), covering drivers using the same routes in the East Midlands, United Kingdom (UK). The results show that reducing road accidents caused by driver distraction is possible. We also study the correlation between distraction (driver, vehicle, and environment) and the classification severity based on a continuous distraction severity score. Furthermore, we apply machine learning techniques to classify and predict driver distraction according to severity levels to aid the transition of control from the driver to the vehicle (vehicle takeover) when a situation is deemed risky. The Ensemble Bagged Trees algorithm performed best, with an accuracy of 96.2%.

Bakhtawar Abdalla, Rebwar Mala Nabi, Hassan Eshkiki et al.

This work contributes towards balancing the inclusivity and global applicability of natural language processing techniques by proposing the first 'name entity recognition' dataset for Kurdish Sorani, a low-resource and under-represented language, that consists of 64,563 annotated tokens. It also provides a tool for facilitating this task in this and many other languages and performs a thorough comparative analysis, including classic machine learning models and neural systems. The results obtained challenge established assumptions about the advantage of neural approaches within the context of NLP. Conventional methods, in particular CRF, obtain F1-scores of 0.825, outperforming the results of BiLSTM-based models (0.706) significantly. These findings indicate that simpler and more computationally efficient classical frameworks can outperform neural architectures in low-resource settings.

Bas van Stein, Fabio Caraffini, Anna V. Kononova

Heuristic optimisation algorithms are in high demand due to the overwhelming amount of complex optimisation problems that need to be solved. The complexity of these problems is well beyond the boundaries of applicability of exact optimisation algorithms and therefore require modern heuristics to find feasible solutions quickly. These heuristics and their effects are almost always evaluated and explained by particular problem instances. In previous works, it has been shown that many such algorithms show structural bias, by either being attracted to a certain region of the search space or by consistently avoiding regions of the search space, on a special test function designed to ensure uniform 'exploration' of the domain. In this paper, we analyse the emergence of such structural bias for Differential Evolution (DE) configurations and, specifically, the effect of different mutation, crossover and correction strategies. We also analyse the emergence of the structural bias during the run-time of each algorithm. We conclude with recommendations of which configurations should be avoided in order to run DE unbiased.

Diederick Vermetten, Anna V. Kononova, Fabio Caraffini et al.

Structural Bias (SB) is an important type of algorithmic deficiency within iterative optimisation heuristics. However, methods for detecting structural bias have not yet fully matured, and recent studies have uncovered many interesting questions. One of these is the question of how structural bias can be related to anisotropy. Intuitively, an algorithm that is not isotropic would be considered structurally biased. However, there have been cases where algorithms appear to only show SB in some dimensions. As such, we investigate whether these algorithms actually exhibit anisotropy, and how this impacts the detection of SB. We find that anisotropy is very rare, and even in cases where it is present, there are clear tests for SB which do not rely on any assumptions of isotropy, so we can safely expand the suite of SB tests to encompass these kinds of deficiencies not found by the original tests. We propose several additional testing procedures for SB detection and aim to motivate further research into the creation of a robust portfolio of tests. This is crucial since no single test will be able to work effectively with all types of SB we identify.

Anna V. Kononova, Fabio Caraffini, Thomas Bäck

This paper investigates how often the popular configurations of Differential Evolution generate solutions outside the feasible domain. Following previous publications in the field, we argue that what the algorithm does with such solutions and how often this has to happen is important for the overall performance of the algorithm and interpretation of results. Based on observations therein, we conclude that significantly more solutions than what is usually assumed by practitioners need to undergo some sort of 'correction' to conform with the definition of the problem's search domain. A wide range of popular Differential Evolution configurations is considered in this study. Conclusions are made regarding the effect the Differential Evolution components and parameter settings have on the distribution of proportions of infeasible solutions generated in a series of independent runs. Results shown in this study suggest strong dependencies between proportions of generated infeasible solutions and every aspect mentioned above. Further investigation of the distribution of proportions of generated infeasible solutions is required.

Johana Florez-Lozano, Fabio Caraffini, Carlos Parra et al.

Real-world problems such as landmine detection require multiple sources of information to reduce the uncertainty of decision-making. A novel approach to solve these problems includes distributed systems, as presented in this work based on hardware and software multi-agent systems. To achieve a high rate of landmine detection, we evaluate the performance of a trained system over the distribution of samples between training and validation sets. Additionally, a general explanation of the data set is provided, presenting the samples gathered by a cooperative multi-agent system developed for detecting improvised explosive devices. The results show that input samples affect the performance of the output decisions, and a decision-making system can be less sensitive to sensor noise with intelligent systems obtained from a diverse and suitably organised training set.

Fabio Caraffini, Anna V. Kononova, David Corne

This paper thoroughly investigates a range of popular DE configurations to identify components responsible for the emergence of structural bias - recently identified tendency of the algorithm to prefer some regions of the search space for reasons directly unrelated to the objective function values. Such tendency was already studied in GA and PSO where a connection was established between the strength of structural bias and population sizes and potential weaknesses of these algorithms was highlighted. For DE, this study goes further and extends the range of aspects that can contribute to presence of structural bias by including algorithmic component which is usually overlooked - constraint handling technique. A wide range of DE configurations were subjected to the protocol for testing for bias. Results suggest that triggering mechanism for the bias in DE differs to the one previously found for GA and PSO - no clear dependency on population size exists. Setting of DE parameters is based on a separate study which on its own leads to interesting directions of new research. Overall, DE turned out to be robust against structural bias - only DE/current-to-best/1/bin is clearly biased but this effect is mitigated by the use of penalty constraint handling technique.

Giovanni Iacca, Fabio Caraffini, Ferrante Neri

We propose Multi-Strategy Coevolving Aging Particles (MS-CAP), a novel population-based algorithm for black-box optimization. In a memetic fashion, MS-CAP combines two components with complementary algorithm logics. In the first stage, each particle is perturbed independently along each dimension with a progressively shrinking (decaying) radius, and attracted towards the current best solution with an increasing force. In the second phase, the particles are mutated and recombined according to a multi-strategy approach in the fashion of the ensemble of mutation strategies in Differential Evolution. The proposed algorithm is tested, at different dimensionalities, on two complete black-box optimization benchmarks proposed at the Congress on Evolutionary Computation 2010 and 2013. To demonstrate the applicability of the approach, we also test MS-CAP to train a Feedforward Neural Network modelling the kinematics of an 8-link robot manipulator. The numerical results show that MS-CAP, for the setting considered in this study, tends to outperform the state-of-the-art optimization algorithms on a large set of problems, thus resulting in a robust and versatile optimizer.

Giovanni Iacca, Fabio Caraffini

Compact optimization algorithms are a class of Estimation of Distribution Algorithms (EDAs) characterized by extremely limited memory requirements (hence they are called "compact"). As all EDAs, compact algorithms build and update a probabilistic model of the distribution of solutions within the search space, as opposed to population-based algorithms that instead make use of an explicit population of solutions. In addition to that, to keep their memory consumption low, compact algorithms purposely employ simple probabilistic models that can be described with a small number of parameters. Despite their simplicity, compact algorithms have shown good performances on a broad range of benchmark functions and real-world problems. However, compact algorithms also come with some drawbacks, i.e. they tend to premature convergence and show poorer performance on non-separable problems. To overcome these limitations, here we investigate a possible algorithmic scheme obtained by combining compact algorithms with a non-disruptive restart mechanism taken from the literature, named Re-Sampled Inheritance (RI). The resulting compact algorithms with RI are tested on the CEC 2014 benchmark functions. The numerical results show on the one hand that the use of RI consistently enhances the performances of compact algorithms, still keeping a limited usage of memory. On the other hand, our experiments show that among the tested algorithms, the best performance is obtained by compact Differential Evolution with RI.

Anna V. Kononova, David W. Corne, Philippe De Wilde et al.

Challenging optimisation problems are abundant in all areas of science. Since the 1950s, scientists have developed ever-diversifying families of black box optimisation algorithms designed to address any optimisation problem, requiring only that quality of a candidate solution is calculated via a fitness function specific to the problem. For such algorithms to be successful, at least three properties are required: an effective informed sampling strategy, that guides generation of new candidates on the basis of fitnesses and locations of previously visited candidates; mechanisms to ensure efficiency, so that same candidates are not repeatedly visited; absence of structural bias, which, if present, would predispose the algorithm towards limiting its search to some regions of solution space. The first two of these properties have been extensively investigated, however the third is little understood. In this article we provide theoretical and empirical analyses that contribute to the understanding of structural bias. We prove a theorem concerning dynamics of population variance in the case of real-valued search spaces. This reveals how structural bias can manifest as non-uniform clustering of population over time. Theory predicts that structural bias is exacerbated with increasing population size and problem difficulty. These predictions reveal two previously unrecognised aspects of structural bias. Respectively, increasing population size, though ostensibly promoting diversity, will magnify any inherent structural bias, and effects of structural bias are more apparent when faced with difficult problems. Our theoretical result also suggests that two commonly used approaches to enhancing exploration, increasing population size and increasing disruptiveness of search operators, have quite distinct implications in terms of structural bias.