Clustering: finding patterns in the darkness

Machine learning is changing the world and fuelling Industry 4.0. These statistical methods focused on identifying patterns in data to provide an intelligent response to specific requests. Although understanding data tends to require expert knowledge to supervise the decision-making process, some techniques need no supervision. These unsupervised techniques can work blindly but they are based on data similarity. One of the most popular areas in this field is clustering. Clustering groups data to guarantee that the clusters’ elements have a strong similarity while the clusters are distinct among them. This field started with the K-means algorithm, one of the most popular algorithms in machine learning with extensive applications. Currently, there are multiple strategies to deal with the clustering problem. This review introduces some of the classical algorithms, focusing significantly on algorithms based on evolutionary computation, and explains some current applications of clustering to large datasets

A review of quantum-inspired metaheuristic algorithms for automatic clustering

In real-world scenarios, identifying the optimal number of clusters in a dataset is a difficult task due to insufficient knowledge. Therefore, the indispensability of sophisticated automatic clus tering algorithms for this purpose has been contemplated by some researchers. Several automatic clustering algorithms assisted by quantum-inspired metaheuristics have been developed in recent years. However, the literature lacks definitive documentation of the state-of-the-art quantum-inspired metaheuristic algorithms for automatically clustering datasets. This article presents a brief overview of the automatic clustering process to establish the importance of making the clustering process automatic. The fundamental concepts of the quantum computing paradigm are also presented to highlight the utility of quantum-inspired algorithms. This article thoroughly analyses some algo rithms employed to address the automatic clustering of various datasets. The reviewed algorithms were classified according to their main sources of inspiration. In addition, some representative works of each classification were chosen from the existing works. Thirty-six such prominent algorithms were further critically analysed based on their aims, used mechanisms, data specifications, merits and demerits. Comparative results based on the performance and optimal computational time are also presented to critically analyse the reviewed algorithms. As such, this article promises to provide a detailed analysis of the state-of-the-art quantum-inspired metaheuristic algorithms, while highlighting their merits and demerits.Web of Science119art. no. 201

Hybrid approaches to optimization and machine learning methods: a systematic literature review

Notably, real problems are increasingly complex and require sophisticated models and algorithms capable of quickly dealing with large data sets and finding optimal solutions. However, there is no perfect method or algorithm; all of them have some limitations that can be mitigated or eliminated by combining the skills of different methodologies. In this way, it is expected to develop hybrid algorithms that can take advantage of the potential and particularities of each method (optimization and machine learning) to integrate methodologies and make them more efficient. This paper presents an extensive systematic and bibliometric literature review on hybrid methods involving optimization and machine learning techniques for clustering and classification. It aims to identify the potential of methods and algorithms to overcome the difficulties of one or both methodologies when combined. After the description of optimization and machine learning methods, a numerical overview of the works published since 1970 is presented. Moreover, an in-depth state-of-art review over the last three years is presented. Furthermore, a SWOT analysis of the ten most cited algorithms of the collected database is performed, investigating the strengths and weaknesses of the pure algorithms and detaching the opportunities and threats that have been explored with hybrid methods. Thus, with this investigation, it was possible to highlight the most notable works and discoveries involving hybrid methods in terms of clustering and classification and also point out the difficulties of the pure methods and algorithms that can be strengthened through the inspirations of other methodologies; they are hybrid methods.Open access funding provided by FCT|FCCN (b-on). This work has been supported by FCT— Fundação para a Ciência e Tecnologia within the R &D Units Project Scope: UIDB/00319/2020. Beatriz Flamia Azevedo is supported by FCT Grant Reference SFRH/BD/07427/2021 The authors are grateful to the Foundation for Science and Technology (FCT, Portugal) for financial support through national funds FCT/ MCTES (PIDDAC) to CeDRI (UIDB/05757/2020 and UIDP/05757/2020) and SusTEC (LA/P/0007/2021).info:eu-repo/semantics/publishedVersio

Water filtration by using apple and banana peels as activated carbon

Water filter is an important devices for reducing the contaminants in raw water. Activated from charcoal is used to absorb the contaminants. Fruit peels are some of the suitable alternative carbon to substitute the charcoal. Determining the role of fruit peels which were apple and banana peels powder as activated carbon in water filter is the main goal. Drying and blending the peels till they become powder is the way to allow them to absorb the contaminants. Comparing the results for raw water before and after filtering is the observation. After filtering the raw water, the reading for pH was 6.8 which is in normal pH and turbidity reading recorded was 658 NTU. As for the colour, the water becomes more clear compared to the raw water. This study has found that fruit peels such as banana and apple are an effective substitute to charcoal as natural absorbent

Evolutionary Computation and QSAR Research

[Abstract] The successful high throughput screening of molecule libraries for a specific biological property is one of the main improvements in drug discovery. The virtual molecular filtering and screening relies greatly on quantitative structure-activity relationship (QSAR) analysis, a mathematical model that correlates the activity of a molecule with molecular descriptors. QSAR models have the potential to reduce the costly failure of drug candidates in advanced (clinical) stages by filtering combinatorial libraries, eliminating candidates with a predicted toxic effect and poor pharmacokinetic profiles, and reducing the number of experiments. To obtain a predictive and reliable QSAR model, scientists use methods from various fields such as molecular modeling, pattern recognition, machine learning or artificial intelligence. QSAR modeling relies on three main steps: molecular structure codification into molecular descriptors, selection of relevant variables in the context of the analyzed activity, and search of the optimal mathematical model that correlates the molecular descriptors with a specific activity. Since a variety of techniques from statistics and artificial intelligence can aid variable selection and model building steps, this review focuses on the evolutionary computation methods supporting these tasks. Thus, this review explains the basic of the genetic algorithms and genetic programming as evolutionary computation approaches, the selection methods for high-dimensional data in QSAR, the methods to build QSAR models, the current evolutionary feature selection methods and applications in QSAR and the future trend on the joint or multi-task feature selection methods.Instituto de Salud Carlos III, PIO52048Instituto de Salud Carlos III, RD07/0067/0005Ministerio de Industria, Comercio y Turismo; TSI-020110-2009-53)Galicia. Consellería de Economía e Industria; 10SIN105004P

Quantum inspired approach for early classification of time series

Is it possible to apply some fundamental principles of quantum-computing to time series classi\ufb01cation algorithms? This is the initial spark that became the research question I decided to chase at the very beginning of my PhD studies. The idea came accidentally after reading a note on the ability of entanglement to express the correlation between two particles, even far away from each other. The test problem was also at hand because I was investigating on possible algorithms for real time bot detection, a challenging problem at present day, by means of statistical approaches for sequential classi\ufb01cation. The quantum inspired algorithm presented in this thesis stemmed as an evolution of the statistical method mentioned above: it is a novel approach to address binary and multinomial classi\ufb01cation of an incoming data stream, inspired by the principles of Quantum Computing, in order to ensure the shortest decision time with high accuracy. The proposed approach exploits the analogy between the intrinsic correlation of two or more particles and the dependence of each item in a data stream with the preceding ones. Starting from the a-posteriori probability of each item to belong to a particular class, we can assign a Qubit state representing a combination of the aforesaid probabilities for all available observations of the time series. By leveraging superposition and entanglement on subsequences of growing length, it is possible to devise a measure of membership to each class, thus enabling the system to take a reliable decision when a suf\ufb01cient level of con\ufb01dence is met. In order to provide an extensive and thorough analysis of the problem, a well-\ufb01tting approach for bot detection was replicated on our dataset and later compared with the statistical algorithm to determine the best option. The winner was subsequently examined against the new quantum-inspired proposal, showing the superior capability of the latter in both binary and multinomial classi\ufb01cation of data streams. The validation of quantum-inspired approach in a synthetically generated use case, completes the research framework and opens new perspectives in on-the-\ufb02y time series classi\ufb01cation, that we have just started to explore. Just to name a few ones, the algorithm is currently being tested with encouraging results in predictive maintenance and prognostics for automotive, in collaboration with University of Bradford (UK), and in action recognition from video streams

Quantum-Inspired Machine Learning: a Survey

Quantum-inspired Machine Learning (QiML) is a burgeoning field, receiving global attention from researchers for its potential to leverage principles of quantum mechanics within classical computational frameworks. However, current review literature often presents a superficial exploration of QiML, focusing instead on the broader Quantum Machine Learning (QML) field. In response to this gap, this survey provides an integrated and comprehensive examination of QiML, exploring QiML's diverse research domains including tensor network simulations, dequantized algorithms, and others, showcasing recent advancements, practical applications, and illuminating potential future research avenues. Further, a concrete definition of QiML is established by analyzing various prior interpretations of the term and their inherent ambiguities. As QiML continues to evolve, we anticipate a wealth of future developments drawing from quantum mechanics, quantum computing, and classical machine learning, enriching the field further. This survey serves as a guide for researchers and practitioners alike, providing a holistic understanding of QiML's current landscape and future directions.Comment: 56 pages, 13 figures, 8 table

Categorical Ontology of Complex Systems, Meta-Systems and Theory of Levels: The Emergence of Life, Human Consciousness and Society

Single cell interactomics in simpler organisms, as well as somatic cell interactomics in multicellular organisms, involve biomolecular interactions in complex signalling pathways that were recently represented in modular terms by quantum automata with ‘reversible behavior’ representing normal cell cycling and division. Other implications of such quantum automata, modular modeling of signaling pathways and cell differentiation during development are in the fields of neural plasticity and brain development leading to quantum-weave dynamic patterns and specific molecular processes underlying extensive memory, learning, anticipation mechanisms and the emergence of human consciousness during the early brain development in children. Cell interactomics is here represented for the first time as a mixture of ‘classical’ states that determine molecular dynamics subject to Boltzmann statistics and ‘steady-state’, metabolic (multi-stable) manifolds, together with ‘configuration’ spaces of metastable quantum states emerging from complex quantum dynamics of interacting networks of biomolecules, such as proteins and nucleic acids that are now collectively defined as quantum interactomics. On the other hand, the time dependent evolution over several generations of cancer cells --that are generally known to undergo frequent and extensive genetic mutations and, indeed, suffer genomic transformations at the chromosome level (such as extensive chromosomal aberrations found in many colon cancers)-- cannot be correctly represented in the ‘standard’ terms of quantum automaton modules, as the normal somatic cells can. This significant difference at the cancer cell genomic level is therefore reflected in major changes in cancer cell interactomics often from one cancer cell ‘cycle’ to the next, and thus it requires substantial changes in the modeling strategies, mathematical tools and experimental designs aimed at understanding cancer mechanisms. Novel solutions to this important problem in carcinogenesis are proposed and experimental validation procedures are suggested. From a medical research and clinical standpoint, this approach has important consequences for addressing and preventing the development of cancer resistance to medical therapy in ongoing clinical trials involving stage III cancer patients, as well as improving the designs of future clinical trials for cancer treatments.\ud \ud \ud KEYWORDS: Emergence of Life and Human Consciousness;\ud Proteomics; Artificial Intelligence; Complex Systems Dynamics; Quantum Automata models and Quantum Interactomics; quantum-weave dynamic patterns underlying human consciousness; specific molecular processes underlying extensive memory, learning, anticipation mechanisms and human consciousness; emergence of human consciousness during the early brain development in children; Cancer cell ‘cycling’; interacting networks of proteins and nucleic acids; genetic mutations and chromosomal aberrations in cancers, such as colon cancer; development of cancer resistance to therapy; ongoing clinical trials involving stage III cancer patients’ possible improvements of the designs for future clinical trials and cancer treatments. \ud \u