Interactive time series analytics powered by ONEX

Modern applications in this digital age collect a staggering amount of time series data from economic growth rates to electrical household consumption habits. To make sense of it, domain analysts interactively sift through these time series collections in search of critical relationships between and recurring patterns within these time series. The ONEX (Online Exploration of Time Series) system supports effective exploratory analysis of time series collections composed of heterogeneous, variable-length and misaligned time series using robust alignment dynamic time warping (DTW) methods. To assure real-time responsiveness even for these complex and compute-intensive analytics, ONEX precomputes and then encodes time series relationships based on the inexpensive-to-compute Euclidean distance into the ONEX base. Thereafter, based on a solid formal foundation, ONEX uses DTW-enhanced analytics to correctly extract relevant time series matches on this Euclidean-prepared ONEX base. Our live interactive demonstration shows how our ONEX exploratory tool, supported by a rich array of visual interactions and expressive visualizations, enables efficient mining and interpretation of the MATTERS real data collection composed of economic, social, and education data trends across the fifty American states. © 2017 ACM

Complex Risks from Old Urban Waste Landfills: Sustainability Perspective from Iasi, Romania

Landfills continue to represent the most frequent managerial practice for municipal solid wastes and an increasing and complex problem globally. In certain countries, a transition to an open society and free market is superimposed on the transition to sustainability, resulting in even higher complexity of management. This paper proposes an approach for problem-structuring of landfills in complex transitions: sustainability or unsustainability of a management approach is determined by a set of sustainability filters that are defined by sets of indicators and prioritized according the systemic concept of sustainability, which says that economy is embedded in society, which is embedded in nature. The writers exercise this approach with an old landfill in Iasi, Romania, and conclude for unsustainability, because the ecological sustainability filter is not successfully passed. Social and economic sustainability filters are also discussed in relation with the ecological sustainability indicators. The described approach allows a coherent, transdisciplinary synthesis of knowledge scattered across various disciplines, a pervasive problem in landfill management. The case study helps distinguish between generally true and context-dependent aspects.Peer reviewe

SARS-CoV-2 Breakthrough Infections: Incidence and Risk Factors in a Large European Multicentric Cohort of Health Workers.

Background: The research aimed to investigate the incidence of SARS-CoV-2 breakthrough infections and their determinants in a large European cohort of more than 60,000 health workers. Methods: A multicentric retrospective cohort study, involving 12 European centers, was carried out within the ORCHESTRA project, collecting data up to 18 November 2021 on fully vaccinated health workers. The cumulative incidence of SARS-CoV-2 breakthrough infections was investigated with its association with occupational and social-demographic characteristics (age, sex, job title, previous SARS-CoV-2 infection, antibody titer levels, and time from the vaccination course completion). Results: Among 64,172 health workers from 12 European health centers, 797 breakthrough infections were observed (cumulative incidence of 1.2%). The primary analysis using individual data on 8 out of 12 centers showed that age and previous infection significantly modified breakthrough infection rates. In the meta-analysis of aggregated data from all centers, previous SARS-CoV-2 infection and the standardized antibody titer were inversely related to the risk of breakthrough infection (p = 0.008 and p = 0.007, respectively). Conclusion: The inverse correlation of antibody titer with the risk of breakthrough infection supports the evidence that vaccination plays a primary role in infection prevention, especially in health workers. Cellular immunity, previous clinical conditions, and vaccination timing should be further investigated

Determination of Alkali and Halide Monovalent Ion Parameters for Use in Explicitly Solvated Biomolecular Simulations

Alkali (Li+, Na+, K+, Rb+, and Cs+) and halide (F−, Cl−, Br−, and I−) ions play an important role in many biological phenomena, roles that range from stabilization of biomolecular structure, to influence on biomolecular dynamics, to key physiological influence on homeostasis and signaling. To properly model ionic interaction and stability in atomistic simulations of biomolecular structure, dynamics, folding, catalysis, and function, an accurate model or representation of the monovalent ions is critically necessary. A good model needs to simultaneously reproduce many properties of ions, including their structure, dynamics, solvation, and moreover both the interactions of these ions with each other in the crystal and in solution and the interactions of ions with other molecules. At present, the best force fields for biomolecules employ a simple additive, nonpolarizable, and pairwise potential for atomic interaction. In this work, we describe our efforts to build better models of the monovalent ions within the pairwise Coulombic and 6-12 Lennard-Jones framework, where the models are tuned to balance crystal and solution properties in Ewald simulations with specific choices of well-known water models. Although it has been clearly demonstrated that truly accurate treatments of ions will require inclusion of nonadditivity and polarizability (particularly with the anions) and ultimately even a quantum mechanical treatment, our goal was to simply push the limits of the additive treatments to see if a balanced model could be created. The applied methodology is general and can be extended to other ions and to polarizable force-field models. Our starting point centered on observations from long simulations of biomolecules in salt solution with the AMBER force fields where salt crystals formed well below their solubility limit. The likely cause of the artifact in the AMBER parameters relates to the naive mixing of the Smith and Dang chloride parameters with AMBER-adapted Åqvist cation parameters. To provide a more appropriate balance, we reoptimized the parameters of the Lennard-Jones potential for the ions and specific choices of water models. To validate and optimize the parameters, we calculated hydration free energies of the solvated ions and also lattice energies (LE) and lattice constants (LC) of alkali halide salt crystals. This is the first effort that systematically scans across the Lennard-Jones space (well depth and radius) while balancing ion properties like LE and LC across all pair combinations of the alkali ions and halide ions. The optimization across the entire monovalent series avoids systematic deviations. The ion parameters developed, optimized, and characterized were targeted for use with some of the most commonly used rigid and nonpolarizable water models, specifically TIP3P, TIP4PEW, and SPC/E. In addition to well reproducing the solution and crystal properties, the new ion parameters well reproduce binding energies of the ions to water and the radii of the first hydration shells

On Degenerate Surface Patches

A local construction of a GC 1 interpolating surface to given scattered data in R 3 can give rise to degenerate Bernstein--B'ezier patches. That means the parametrization at vertices is not regular in the sense that the length of the tangent vector to any curve passing through a vertex is zero at that vertex. This implies that the curvature of these curves tends to infinity whenever one approaches a vertex. This fact seems to have not a negative influence on the shape of the surface. 1 Interpolation problem We have considered the problem of interpolating scattered data points in R 3 by a geometrically smooth (GC 1 ) surface. In order to be able to handle "complicated" surfaces with many data points, methods designed for that purpose are usually local in nature. For a classification of different approaches see [4]. Various attempts to attack the interpolation problem using degenerate polynomial patches are described in [3,5,1] and also in an article in these proceedings [2]. No..

Using reverse engineering in archaeology : ceramic pottery reconstruction

The present paper presents a model for using CAD software and reverse engineering methods for the reconstruction of ceramic vessels, as part of the larger field of digital archeology. The case study focuses on the reconstruction of a specific Dacian pottery, namely the "chiup", used for storing food ad liquids, and the proposed reconstruction method is a graphical one