Application of deep learning methods in materials microscopy for the quality assessment of lithium-ion batteries and sintered NdFeB magnets

Die Qualitätskontrolle konzentriert sich auf die Erkennung von Produktfehlern und die Überwachung von Aktivitäten, um zu überprüfen, ob die Produkte den gewünschten Qualitätsstandard erfüllen. Viele Ansätze für die Qualitätskontrolle verwenden spezialisierte Bildverarbeitungssoftware, die auf manuell entwickelten Merkmalen basiert, die von Fachleuten entwickelt wurden, um Objekte zu erkennen und Bilder zu analysieren. Diese Modelle sind jedoch mühsam, kostspielig in der Entwicklung und schwer zu pflegen, während die erstellte Lösung oft spröde ist und für leicht unterschiedliche Anwendungsfälle erhebliche Anpassungen erfordert. Aus diesen Gründen wird die Qualitätskontrolle in der Industrie immer noch häufig manuell durchgeführt, was zeitaufwändig und fehleranfällig ist. Daher schlagen wir einen allgemeineren datengesteuerten Ansatz vor, der auf den jüngsten Fortschritten in der Computer-Vision-Technologie basiert und Faltungsneuronale Netze verwendet, um repräsentative Merkmale direkt aus den Daten zu lernen. Während herkömmliche Methoden handgefertigte Merkmale verwenden, um einzelne Objekte zu erkennen, lernen Deep-Learning-Ansätze verallgemeinerbare Merkmale direkt aus den Trainingsproben, um verschiedene Objekte zu erkennen. In dieser Dissertation werden Modelle und Techniken für die automatisierte Erkennung von Defekten in lichtmikroskopischen Bildern von materialografisch präparierten Schnitten entwickelt. Wir entwickeln Modelle zur Defekterkennung, die sich grob in überwachte und unüberwachte Deep-Learning-Techniken einteilen lassen. Insbesondere werden verschiedene überwachte Deep-Learning-Modelle zur Erkennung von Defekten in der Mikrostruktur von Lithium-Ionen-Batterien entwickelt, von binären Klassifizierungsmodellen, die auf einem Sliding-Window-Ansatz mit begrenzten Trainingsdaten basieren, bis hin zu komplexen Defekterkennungs- und Lokalisierungsmodellen, die auf ein- und zweistufigen Detektoren basieren. Unser endgültiges Modell kann mehrere Klassen von Defekten in großen Mikroskopiebildern mit hoher Genauigkeit und nahezu in Echtzeit erkennen und lokalisieren. Das erfolgreiche Trainieren von überwachten Deep-Learning-Modellen erfordert jedoch in der Regel eine ausreichend große Menge an markierten Trainingsbeispielen, die oft nicht ohne weiteres verfügbar sind und deren Beschaffung sehr kostspielig sein kann. Daher schlagen wir zwei Ansätze vor, die auf unbeaufsichtigtem Deep Learning zur Erkennung von Anomalien in der Mikrostruktur von gesinterten NdFeB-Magneten basieren, ohne dass markierte Trainingsdaten benötigt werden. Die Modelle sind in der Lage, Defekte zu erkennen, indem sie aus den Trainingsdaten indikative Merkmale von nur "normalen" Mikrostrukturmustern lernen. Wir zeigen experimentelle Ergebnisse der vorgeschlagenen Fehlererkennungssysteme, indem wir eine Qualitätsbewertung an kommerziellen Proben von Lithium-Ionen-Batterien und gesinterten NdFeB-Magneten durchführen

Big-Data Science in Porous Materials: Materials Genomics and Machine Learning

By combining metal nodes with organic linkers we can potentially synthesize millions of possible metal organic frameworks (MOFs). At present, we have libraries of over ten thousand synthesized materials and millions of in-silico predicted materials. The fact that we have so many materials opens many exciting avenues to tailor make a material that is optimal for a given application. However, from an experimental and computational point of view we simply have too many materials to screen using brute-force techniques. In this review, we show that having so many materials allows us to use big-data methods as a powerful technique to study these materials and to discover complex correlations. The first part of the review gives an introduction to the principles of big-data science. We emphasize the importance of data collection, methods to augment small data sets, how to select appropriate training sets. An important part of this review are the different approaches that are used to represent these materials in feature space. The review also includes a general overview of the different ML techniques, but as most applications in porous materials use supervised ML our review is focused on the different approaches for supervised ML. In particular, we review the different method to optimize the ML process and how to quantify the performance of the different methods. In the second part, we review how the different approaches of ML have been applied to porous materials. In particular, we discuss applications in the field of gas storage and separation, the stability of these materials, their electronic properties, and their synthesis. The range of topics illustrates the large variety of topics that can be studied with big-data science. Given the increasing interest of the scientific community in ML, we expect this list to rapidly expand in the coming years.Comment: Editorial changes (typos fixed, minor adjustments to figures

Machine Learning and Data Mining Applications in Power Systems

This Special Issue was intended as a forum to advance research and apply machine-learning and data-mining methods to facilitate the development of modern electric power systems, grids and devices, and smart grids and protection devices, as well as to develop tools for more accurate and efficient power system analysis. Conventional signal processing is no longer adequate to extract all the relevant information from distorted signals through filtering, estimation, and detection to facilitate decision-making and control actions. Machine learning algorithms, optimization techniques and efficient numerical algorithms, distributed signal processing, machine learning, data-mining statistical signal detection, and estimation may help to solve contemporary challenges in modern power systems. The increased use of digital information and control technology can improve the grid’s reliability, security, and efficiency; the dynamic optimization of grid operations; demand response; the incorporation of demand-side resources and integration of energy-efficient resources; distribution automation; and the integration of smart appliances and consumer devices. Signal processing offers the tools needed to convert measurement data to information, and to transform information into actionable intelligence. This Special Issue includes fifteen articles, authored by international research teams from several countries

Políticas de Copyright de Publicações Científicas em Repositórios Institucionais: O Caso do INESC TEC

A progressiva transformação das práticas científicas, impulsionada pelo desenvolvimento das novas Tecnologias de Informação e Comunicação (TIC), têm possibilitado aumentar o acesso à informação, caminhando gradualmente para uma abertura do ciclo de pesquisa. Isto permitirá resolver a longo prazo uma adversidade que se tem colocado aos investigadores, que passa pela existência de barreiras que limitam as condições de acesso, sejam estas geográficas ou financeiras. Apesar da produção científica ser dominada, maioritariamente, por grandes editoras comerciais, estando sujeita às regras por estas impostas, o Movimento do Acesso Aberto cuja primeira declaração pública, a Declaração de Budapeste (BOAI), é de 2002, vem propor alterações significativas que beneficiam os autores e os leitores. Este Movimento vem a ganhar importância em Portugal desde 2003, com a constituição do primeiro repositório institucional a nível nacional. Os repositórios institucionais surgiram como uma ferramenta de divulgação da produção científica de uma instituição, com o intuito de permitir abrir aos resultados da investigação, quer antes da publicação e do próprio processo de arbitragem (preprint), quer depois (postprint), e, consequentemente, aumentar a visibilidade do trabalho desenvolvido por um investigador e a respetiva instituição. O estudo apresentado, que passou por uma análise das políticas de copyright das publicações científicas mais relevantes do INESC TEC, permitiu não só perceber que as editoras adotam cada vez mais políticas que possibilitam o auto-arquivo das publicações em repositórios institucionais, como também que existe todo um trabalho de sensibilização a percorrer, não só para os investigadores, como para a instituição e toda a sociedade. A produção de um conjunto de recomendações, que passam pela implementação de uma política institucional que incentive o auto-arquivo das publicações desenvolvidas no âmbito institucional no repositório, serve como mote para uma maior valorização da produção científica do INESC TEC.The progressive transformation of scientific practices, driven by the development of new Information and Communication Technologies (ICT), which made it possible to increase access to information, gradually moving towards an opening of the research cycle. This opening makes it possible to resolve, in the long term, the adversity that has been placed on researchers, which involves the existence of barriers that limit access conditions, whether geographical or financial. Although large commercial publishers predominantly dominate scientific production and subject it to the rules imposed by them, the Open Access movement whose first public declaration, the Budapest Declaration (BOAI), was in 2002, proposes significant changes that benefit the authors and the readers. This Movement has gained importance in Portugal since 2003, with the constitution of the first institutional repository at the national level. Institutional repositories have emerged as a tool for disseminating the scientific production of an institution to open the results of the research, both before publication and the preprint process and postprint, increase the visibility of work done by an investigator and his or her institution. The present study, which underwent an analysis of the copyright policies of INESC TEC most relevant scientific publications, allowed not only to realize that publishers are increasingly adopting policies that make it possible to self-archive publications in institutional repositories, all the work of raising awareness, not only for researchers but also for the institution and the whole society. The production of a set of recommendations, which go through the implementation of an institutional policy that encourages the self-archiving of the publications developed in the institutional scope in the repository, serves as a motto for a greater appreciation of the scientific production of INESC TEC

Intelligent Sensors for Human Motion Analysis

The book, "Intelligent Sensors for Human Motion Analysis," contains 17 articles published in the Special Issue of the Sensors journal. These articles deal with many aspects related to the analysis of human movement. New techniques and methods for pose estimation, gait recognition, and fall detection have been proposed and verified. Some of them will trigger further research, and some may become the backbone of commercial systems

Machine Learning in Discrete Molecular Spaces

The past decade has seen an explosion of machine learning in chemistry. Whether it is in property prediction, synthesis, molecular design, or any other subdivision, machine learning seems poised to become an integral, if not a dominant, component of future research efforts. This extraordinary capacity rests on the interac- tion between machine learning models and the underlying chemical data landscape commonly referred to as chemical space. Chemical space has multiple incarnations, but is generally considered the space of all possible molecules. In this sense, it is one example of a molecular set: an arbitrary collection of molecules. This thesis is devoted to precisely these objects, and particularly how they interact with machine learning models. This work is predicated on the idea that by better understanding the relationship between molecular sets and the models trained on them we can improve models, achieve greater interpretability, and further break down the walls between data-driven and human-centric chemistry. The hope is that this enables the full predictive power of machine learning to be leveraged while continuing to build our understanding of chemistry. The first three chapters of this thesis introduce and reviews the necessary machine learning theory, particularly the tools that have been specially designed for chemical problems. This is followed by an extensive literature review in which the contributions of machine learning to multiple facets of chemistry over the last two decades are explored. Chapters 4-7 explore the research conducted throughout this PhD. Here we explore how we can meaningfully describe the properties of an arbitrary set of molecules through information theory; how we can determine the most informative data points in a set of molecules; how graph signal processing can be used to understand the relationship between the chosen molecular representation, the property, and the machine learning model; and finally how this approach can be brought to bear on protein space. Each of these sub-projects briefly explores the necessary mathematical theory before leveraging it to provide approaches that resolve the posed problems. We conclude with a summary of the contributions of this work and outline fruitful avenues for further exploration

Systematic Approaches for Telemedicine and Data Coordination for COVID-19 in Baja California, Mexico

Conference proceedings info: ICICT 2023: 2023 The 6th International Conference on Information and Computer Technologies Raleigh, HI, United States, March 24-26, 2023 Pages 529-542We provide a model for systematic implementation of telemedicine within a large evaluation center for COVID-19 in the area of Baja California, Mexico. Our model is based on human-centric design factors and cross disciplinary collaborations for scalable data-driven enablement of smartphone, cellular, and video Teleconsul-tation technologies to link hospitals, clinics, and emergency medical services for point-of-care assessments of COVID testing, and for subsequent treatment and quar-antine decisions. A multidisciplinary team was rapidly created, in cooperation with different institutions, including: the Autonomous University of Baja California, the Ministry of Health, the Command, Communication and Computer Control Center of the Ministry of the State of Baja California (C4), Colleges of Medicine, and the College of Psychologists. Our objective is to provide information to the public and to evaluate COVID-19 in real time and to track, regional, municipal, and state-wide data in real time that informs supply chains and resource allocation with the anticipation of a surge in COVID-19 cases. RESUMEN Proporcionamos un modelo para la implementación sistemática de la telemedicina dentro de un gran centro de evaluación de COVID-19 en el área de Baja California, México. Nuestro modelo se basa en factores de diseño centrados en el ser humano y colaboraciones interdisciplinarias para la habilitación escalable basada en datos de tecnologías de teleconsulta de teléfonos inteligentes, celulares y video para vincular hospitales, clínicas y servicios médicos de emergencia para evaluaciones de COVID en el punto de atención. pruebas, y para el tratamiento posterior y decisiones de cuarentena. Rápidamente se creó un equipo multidisciplinario, en cooperación con diferentes instituciones, entre ellas: la Universidad Autónoma de Baja California, la Secretaría de Salud, el Centro de Comando, Comunicaciones y Control Informático. de la Secretaría del Estado de Baja California (C4), Facultades de Medicina y Colegio de Psicólogos. Nuestro objetivo es proporcionar información al público y evaluar COVID-19 en tiempo real y rastrear datos regionales, municipales y estatales en tiempo real que informan las cadenas de suministro y la asignación de recursos con la anticipación de un aumento de COVID-19. 19 casos.ICICT 2023: 2023 The 6th International Conference on Information and Computer Technologieshttps://doi.org/10.1007/978-981-99-3236-