A Tale of Two Approaches: Comparing Top-Down and Bottom-Up Strategies for Analyzing and Visualizing High-Dimensional Data

The proliferation of high-throughput and sensory technologies in various fields has led to a considerable increase in data volume, complexity, and diversity. Traditional data storage, analysis, and visualization methods are struggling to keep pace with the growth of modern data sets, necessitating innovative approaches to overcome the challenges of managing, analyzing, and visualizing data across various disciplines. One such approach is utilizing novel storage media, such as deoxyribonucleic acid~(DNA), which presents efficient, stable, compact, and energy-saving storage option. Researchers are exploring the potential use of DNA as a storage medium for long-term storage of significant cultural and scientific materials. In addition to novel storage media, scientists are also focussing on developing new techniques that can integrate multiple data modalities and leverage machine learning algorithms to identify complex relationships and patterns in vast data sets. These newly-developed data management and analysis approaches have the potential to unlock previously unknown insights into various phenomena and to facilitate more effective translation of basic research findings to practical and clinical applications. Addressing these challenges necessitates different problem-solving approaches. Researchers are developing novel tools and techniques that require different viewpoints. Top-down and bottom-up approaches are essential techniques that offer valuable perspectives for managing, analyzing, and visualizing complex high-dimensional multi-modal data sets. This cumulative dissertation explores the challenges associated with handling such data and highlights top-down, bottom-up, and integrated approaches that are being developed to manage, analyze, and visualize this data. The work is conceptualized in two parts, each reflecting the two problem-solving approaches and their uses in published studies. The proposed work showcases the importance of understanding both approaches, the steps of reasoning about the problem within them, and their concretization and application in various domains

Interactive polar diagrams for model comparison

Objective Evaluating the performance of multiple complex models, such as those found in biology, medicine, climatology, and machine learning, using conventional approaches is often challenging when using various evaluation metrics simultaneously. The traditional approach, which relies on presenting multi-model evaluation scores in the table, presents an obstacle when determining the similarities between the models and the order of performance. Methods By combining statistics, information theory, and data visualization, juxtaposed Taylor and Mutual Information Diagrams permit users to track and summarize the performance of one model or a collection of different models. To uncover linear and nonlinear relationships between models, users may visualize one or both charts. Results Our library presents the first publicly available implementation of the Mutual Information Diagram and its new interactive capabilities, as well as the first publicly available implementation of an interactive Taylor Diagram. Extensions have been implemented so that both diagrams can display temporality, multimodality, and multivariate data sets, and feature one scalar model property such as uncertainty. Our library, named polar-diagrams, supports both continuous and categorical attributes. Conclusion The library can be used to quickly and easily assess the performances of complex models, such as those found in machine learning, climate, or biomedical domains

Interpretable molecular encodings and representations for machine learning tasks

Molecular encodings and their usage in machine learning models have demonstrated significant breakthroughs in biomedical applications, particularly in the classification of peptides and proteins. To this end, we propose a new encoding method: Interpretable Carbon-based Array of Neighborhoods (iCAN). Designed to address machine learning models' need for more structured and less flexible input, it captures the neighborhoods of carbon atoms in a counting array and improves the utility of the resulting encodings for machine learning models. The iCAN method provides interpretable molecular encodings and representations, enabling the comparison of molecular neighborhoods, identification of repeating patterns, and visualization of relevance heat maps for a given data set. When reproducing a large biomedical peptide classification study, it outperforms its predecessor encoding. When extended to proteins, it outperforms a lead structure-based encoding on 71% of the data sets. Our method offers interpretable encodings that can be applied to all organic molecules, including exotic amino acids, cyclic peptides, and larger proteins, making it highly versatile across various domains and data sets. This work establishes a promising new direction for machine learning in peptide and protein classification in biomedicine and healthcare, potentially accelerating advances in drug discovery and disease diagnosis

Multilayered nano-foils for low-temperature metal-ceramic joining

Over almost two decades metal-ceramic fusing has been the essential step in obtaining materials which benefit from both ceramic and metal materials, i.e. where the combined properties of the metal and ceramic layers are desirable. Soldering and active metal brazing are the most effective when considering fusing methods. This paper presents a low-temperature process for soldering and brazing ceramics to metals, which is based on the use of reactive multilayer foils as a local heat source. The reactive foils range in thickness from 40 μm to less than 100 μm and contain many nanoscale layers and/or domains that alternate between materials with high mixing heat.

Investigation of mechanical and biomedical properties of new dental alloy with high content of Au

The basis for developing a new dental alloy with high Au content is appropriate chemical composition and manufacturing technology. The demands which have to be met when developing a new dental alloy are linked with fulfilling the necessary requirements for making the alloy suitable for use in metal-ceramic restorations. Due to the stress generated by masticatory forces, alloys for dental restorations must have corresponding mechanical properties (yield strength, tensile strength, and elongation), hardness, the coefficient of thermal expansion (CTE), and biocompatibility. Namely dental alloy placed in an oral cavity reacts with the environment and deteriorates. New dental alloy with high Au content is based on the ternary system of Au-Pt-Zn with a nominal composition of 86.9Au-9.9Pt-1.5Zn, and about 1,5 wt.% micro-alloying elements (In, Ir, Rh). The dental alloy was melted and cast in a vacuum-induction melting furnace in Zlatarna Celje. The results analyses of different heat-treated states showed that the optimal mechanical properties and hardness of an Au-Pt-Zn alloy can be reached with combinations of heat treatment for 20 minutes at 723 K and then slowly cooling, if the alloy was annealed at 1223 K for 30 minutes and the water quenched. Research results confirmed that the microstructure of the Au-Pt-Zn alloy consists of two phases: a1-phase rich in Au (main phase) and a2-phase rich in Pt (minor phase). During XRD analysis and use of the Rietveld method, it was found that the a1-phase content is about 98,5 wt.% while the content of a2- phase is 1,5 wt.%. STA analyses show that the Au-Pt-Zn alloy has a solids temperature of about 1292 K and a liquids temperature of about 1412 K. The optical properties of Au-dental alloy were investigated by means of spectrophotometric colourimetry. Spectral reflectance data from the mirror-polished flat samples of initial Au dental alloy were collected under the CIE standard illuminant D65. Finally the test of cytotoxicity of new Au based dental alloys using standard in vitro assays for testing the biocompatibility with establishing new, more sensitive, in vitro tests on cell lines was done. According to the results of our research we can conclude that new dental alloy from Zlatarna Celje satisfied all requested standards regarding mechanical properties, hardness and CTE: Rp0.=550 [N/mm2], Rm =610 [N/mm2], A= 9%, 180 HV and CTE (25-600°C) about 14,45×10-6K-1. This new Au dental alloy has a yellow tinge in comparison to conventional Au-Pt-Zn alloys and did not show cytotoxicity when using standard short-term in-vitro assays on an L929 cell.

Liquid metal/ceramic interfaces in dental practice and jewellery manufacturing

Metal-ceramic fusing has been the essential step in obtaining materials that benefit from both ceramic and metal constituents. i e where the combined properties of metal and ceramic layers are desirable When considering fusing methods. soldering and active metal brazing are the most effective These processes involve braze melting and flowing between the two pieces of material In the first part the phenomena occurring on the boundary between the ceramics and the active filler metal during the metal-ceramics joining are discussed Three interconnected sub-processes are considered (1) wetting of the ceramic surface. (2) chemical reactions at the Interlace and (3) diffusion with a moving interface Then, the appearances at the grain boundary grooves of the ceramic surface are presented as phenomena on the catalytic surface In the second pan, examples from dental practice and jewellery manufacturing are used for comparative analysis Finally we discuss the composition and properties of the soldering and brazing alloys used for dental practice and jewellery manufacturin

Staljene vmesne površine med kovino in keramiko v zobozdravstvu in pri izdelavi nakita

Metal-ceramic fusing has been the essential step in obtaining materials that benefit from both ceramic and metal constituents, i.e. where the combined properties of metal and ceramic layers are desirable. When considering fusing methods, soldering and active metal brazing are the most effective. These processes involve braze melting and flowing between the two pieces of material. In the first part the phenomena occurring on the boundary between the ceramics and the active filler metal during the metal-ceramics joining are discussed. Three interconnected sub-processes are considered: (1) wetting of the ceramic surface, (2) chemical reactions at the interface and (3) diffusion with a moving interface. Then, the appearances at the grain boundary grooves of the ceramic surface are presented as phenomena on the catalytic surface. In the second part, examples from dental practice and jewellery manufacturing are used for comparative analysis. Finally, we discuss the composition and properties of the soldering and brazing alloys used for dental practice and jewellery manufacturing.Zlitje kovine in keramike je temeljna stopnja za nastanek materiala, ki pridobi lastnosti obeh sestavnih delov, kjer je želena kombinacija lastnosti plasti kovine in keramike. Od metod zlitja sta lotanje in aktivno spajkanje najbolj učinkoviti. Procese sestavljata taljenje in pretok taline med obema materialoma. V prvem delu razpravljamo o procesih na meji med keramiko in aktivnim polnilnim materialom med spajanjem kovine in keramike. Obravnavamo tri povezane procese: (1) omočljivost keramične površine, (2) kemične reakcije na vmesni površini in (3) difuzijo s premikajočo se mejno površino. Nato obravnavamo nastanek žlebov na mejah zrn na katalitični površini. V drugem delu uporabljamo primere iz dentalne prakse in izdelave nakita za primerjalno analizo. Na koncu je razprava o sestavi in lastnostih spajk in lotov, ki se uporabljajo v dentalni praksi in pri izdelavi nakita

Nanofolije za lotanje pri zobozdravniškem delu in izdelavi nakita

This paper describes the development of novel, reactive Al-Au nano-multilayered foils, their possible application in different fields and a discussion of the nano-foils\u27 suitability for dental and jewellery applications. Moreover, this study includes the rapid joining of similar and dissimilar materials, by placing multilayer nano-foils and two layers of solder or braze. The foils precisely control the instantaneous release of heatenergy for the joining and act as a controllable local heat source. The reactive foils\u27 thickness is in the range 10 nm to less than 100 nm and they contain many nanoscale layers that alternate between materials with high mixing heats, such as Al and Au. The foil between the two solder/braze layers melts the solder/braze with the heat generated by the reaction and bonds the components. The use of reactive foils eliminates the need for a furnace and dramatically increases the soldering/brazing heating rate of the components being bonded. Thus, ceramics and metals can be fused over required areas without the thermal stresses that are encountered in furnace soldering or brazing. In addition, a completely new plasma technology is proposed for the manufacturing of nano-foils and the first results of the preliminary experimental testing are presented.Članek opisuje razvoj nanoplastnih reaktivnih Al-Au-folij, njihovo uporabo na različnih področjih in razprava o uporabi v zobni tehniki in pri izdelavi nakita. Študija vključuje hitro spajanje podobnih in različnih materialov s postavitvijo večplastnih nanofolij ter plasti lota med oba dela za spajanje. Folije kontrolirajo hipno sprostitev toplotne energije za spajanje in delujejo kot lokalni vir toplote. Reaktivne folije z debelino od 10 nm do 100 nm so izmenoma iz materialov, ki imajo veliko toploto mešanja, npr. Al in Au. Folija z reakcijsko toploto raztali obe plasti lota in spoji obe lotani komponenti. Pri uporabi reaktivnih folij je peč nepotrebna, zato se zelo poveča hitrost spajanja lotanih komponent. Keramiko in kovine je mogoče spajati na določenih površinah brez toplotnih napetosti, ki nastanejo pri lotanju s segrevanjem v peči. Sugerirana je tudi nova plazemska tehnologija zaizdelavo nanofolij in predstavljeni so prvi rezultati praktičnih preizkusov

Liquid metal/ceramic interfaces in dental practice and jewellery manufacturing

Metal-ceramic fusing has been the essential step in obtaining materials that benefit from both ceramic and metal constituents. i e where the combined properties of metal and ceramic layers are desirable When considering fusing methods. soldering and active metal brazing are the most effective These processes involve braze melting and flowing between the two pieces of material In the first part the phenomena occurring on the boundary between the ceramics and the active filler metal during the metal-ceramics joining are discussed Three interconnected sub-processes are considered (1) wetting of the ceramic surface. (2) chemical reactions at the Interlace and (3) diffusion with a moving interface Then, the appearances at the grain boundary grooves of the ceramic surface are presented as phenomena on the catalytic surface In the second pan, examples from dental practice and jewellery manufacturing are used for comparative analysis Finally we discuss the composition and properties of the soldering and brazing alloys used for dental practice and jewellery manufacturin

Nanofoils for soldering and brazing in dental joining practice and jewellery manufacturing

This paper describes the development of novel, reactive Al-Au nano-multilayered foils, their possible application in different fields and a discussion of the nano-foils' suitability for dental and jewellery applications. Moreover, this study includes the rapid joining of similar and dissimilar materials, by placing multilayer nano-foils and two layers of solder or braze. The foils precisely control the instantaneous release of heat energy for the joining and act as a controllable local heat source. The reactive foils' thickness is in the range 10 nm to less than 100 nm and they contain many nanoscale layers that alternate between materials with high mixing heats, such as Al and Au. The foil between the two solder/braze layers melts the solder/braze with the heat generated by the reaction and bonds the components. The use of reactive foils eliminates the need for a furnace and dramatically increases the soldering/brazing heating rate of the components being bonded. Thus, ceramics and metals can be fused over required areas without the thermal stresses that are encountered in furnace soldering or brazing. In addition, a completely new plasma technology is proposed for the manufacturing of nano-foils and the first results of the preliminary experimental testing are presented