Sensitivity analysis of complex embedded real-time systems

The robustness of an architecture to changes is a major concern in the design of efficient and reliable state-of-the-art embedded real-time systems. Robustness is important during design process to identify if and in how far a system can accommodate later changes or updates, or whether it can be reused in a next generation product. In the product life-cycle, robustness helps the designer to perform changes as a result of product updates, integration of new components and subsystems, or modifications of the environment. In this paper we determine robustness as a performance reserve, the slack in performance before a system fails to meet timing requirements. This is measured as design sensitivity. Due to complex component interactions, resource sharing and functional dependencies, one-dimensional sensitivity analysis might not cover all effects that modifications of one system property may have on system performance. One reason is that the variation of one property can also affect the values of other system properties requiring new approaches to keep track of simultaneous parameter changes. In this paper we present a framework for one-dimensional and multi-dimensional sensitivity analysis of real-time systems. The framework is based on compositional analysis that is scalable to large systems. The one-dimensional sensitivity analysis combines a binary search technique with a set of formal equations derived from the real-time scheduling theory. The multi-dimensional sensitivity analysis engine consists of an exact algorithm that extends the one-dimensional approach, and a stochastic algorithm based on evolutionary search techniques.     

Die effiziente Organisation

Definition of the problem The hospital as an organization has undergone substantial changes during recent decades due to reforms in the health care system. There have been necessary and quite helpful modifications; however, some modifications raise the question: what public tasks should hospitals fulfill in the future? The following question, thus, arises: what kind of effectiveness, besides cutting costs, should be achieved by the permanent increase of efficiency in hospitals? Paradoxically spoken, the change of the organization hospital seems to be entailed by economization which at the same time is meant to be a remedy for change. Arguments This article reflects on the process of economization from an ethical perspective using patterns from organizational and institutional theory, e.g., a model to evaluate levels of economization contributed by the French sociologist Pierre Bourdieu, applied in this case to German hospitals. Conclusion Market-driven incentives are no answer to the question which goals (i.e., morally, socially, and legally) the health care system should meet. Therefore, public deliberation and performance-orientated shaping of the institutions is required.     

Non-Covalent Forces in Naphthazarin—Cooperativity or Competition in the Light of Theoretical Approaches

Non-covalent interactions responsible for molecular features and self-assembly in Naphthazarin C polymorph were investigated on the basis of diverse theoretical approaches: Density Functional Theory (DFT), Diffusion Quantum Monte Carlo (DQMC), Symmetry-Adapted Perturbation Theory (SAPT) and Car-Parrinello Molecular Dynamics (CPMD). The proton reaction paths in the intramolecular hydrogen bridges were studied. Two potential energy minima were found indicating that the proton transfer phenomena occur in the electronic ground state. Diffusion Quantum Monte Carlo (DQMC) and other levels of theory including Coupled Cluster (CC) employment enabled an accurate inspection of Potential Energy Surface (PES) and revealed the energy barrier for the proton transfer. The structure and reactivity evolution associated with the proton transfer were investigated using Harmonic Oscillator Model of Aromaticity - HOMA index, Fukui functions and Atoms In Molecules (AIM) theory. The energy partitioning in the studied dimers was carried out based on Symmetry-Adapted Perturbation Theory (SAPT) indicating that dispersive forces are dominant in the structure stabilization. The CPMD simulations were performed at 60 K and 300 K in vacuo and in the crystalline phase. The temperature influence on the bridged protons dynamics was studied and showed that the proton transfer phenomena were not observed at 60 K, but the frequent events were noticed at 300 K in both studied phases. The spectroscopic signatures derived from the CPMD were computed using Fourier transformation of autocorrelation function of atomic velocity for the whole molecule and bridged protons. The computed gas-phase IR spectra showed two regions with OH absorption that covers frequencies from 2500 cm−1 to 2800 cm−1 at 60 K and from 2350 cm−1 to 3250 cm−1 at 300 K for both bridged protons. In comparison, the solid state computed IR spectra revealed the environmental influence on the vibrational features. For each of them absorption regions were found between 2700–3100 cm−1 and 2400–2850 cm−1 at 60 K and 2300–3300 cm−1 and 2300–3200 cm−1 at 300 K respectively. Therefore, the CPMD study results indicated that there is a cooperation of intramolecular hydrogen bonds in Naphthazarin molecule.     

Genome-Wide Mutation Scoring for Machine-Learning-Based Antimicrobial Resistance Prediction

The prediction of antimicrobial resistance (AMR) based on genomic information can improve patient outcomes. Genetic mechanisms have been shown to explain AMR with accuracies in line with standard microbiology laboratory testing. To translate genetic mechanisms into phenotypic AMR, machine learning has been successfully applied. AMR machine learning models typically use nucleotide k-mer counts to represent genomic sequences. While k-mer representation efficiently captures sequence variation, it also results in high-dimensional and sparse data. With limited training data available, achieving acceptable model performance or model interpretability is challenging. In this study, we explore the utility of feature engineering with several biologically relevant signals. We propose to predict the functional impact of observed mutations with PROVEAN to use the predicted impact as a new feature for each protein in an organism’s proteome. The addition of the new features was tested on a total of 19,521 isolates across nine clinically relevant pathogens and 30 different antibiotics. The new features significantly improved the predictive performance of trained AMR models for Pseudomonas aeruginosa, Citrobacter freundii, and Escherichia coli. The balanced accuracy of the respective models of those three pathogens improved by 6.0% on average.     

Impact of the solidification path of FeOx–SiO2 slags on the resultant inorganic polymers

Aiming to reduce the carbon dioxide emissions associated with cement production, alternative binders such as inorganic polymers currently receive substantial attention and slags from the non-ferrous metallurgy are promising precursors. However, studies  that correlate their chemistry and crystallinity with the newly formed binder remain limited. In this work, the effect of three different solidification methods on glass formation and reactivity of FeO_x–SiO₂ slags, as well as on the molecular structure of the resultant Fe-rich inorganic polymers, was investigated. The inorganic polymers were synthesized by mixing the slags (approximate molar ratio FeO/SiO₂ = 1.6) with an alkali silicate solution (molar ratios SiO₂/Na₂O = 1.6 and H₂O/Na₂O = 25). Results demonstrated that higher cooling rates promoted higher glass formation and faster reaction kinetics when the slags were activated. ⁵⁷Fe Mössbauer spectroscopy indicated that all the slags consisted predominantly of Fe²⁺ ions with a minor amount of Fe³⁺ ions, regardless of the variability in glass content. The binder phase of all inorganic polymers consisted of iron in both Fe²⁺ and Fe³⁺ states, after 28 days of curing. After pulverizing the inorganic polymer pastes and exposing the powder to air for 28 additional days, the Fe²⁺ state in the binder transformed to Fe³⁺. The compressive strength evolution of the three slags showed that the 2-day strength was higher for the samples with a higher amorphous fraction, while after 28 days, this influence was less pronounced.     

Inorganic polymers made of fayalite slag: On the microstructure and behavior of Fe

The microstructure of inorganic polymers (IP) formed from fayalite slag was investigated as a function of the composition of different activating solutions. The starting slag was 80 wt% amorphous, and after activation using sodium silicate solutions with varying SiO₂/Na₂O molar ratios, the amorphous phase dissolved and a binder phase was formed. The morphology of this binder, including the population and size of remnant particles and pores, was dependent on the particular activating solution used, and became denser as the level of silicate rose. ⁵⁷Fe Mössbauer spectroscopy revealed that the IP synthesis reaction is combined with the oxidation of Fe²⁺ from the fayalite slag to Fe³⁺ in the inorganic polymer binder. The reaction extent varied and could be quantified using the absorption areas of these ions. Data corroborate that the Fe²⁺ ions in the amorphous part of the fayalite slag and the Fe³⁺ ions in the new binder phase had an average oxygen‐coordination number of 5.     

Blends of Two Perylene Derivatives: Mesogenic Properties and Application As Emitter Materials in OLEDs

Blends consisting of two components, namely a liquid crystalline perylene ester and a bilaterally extended perylene ester, were studied. The liquid crystalline properties of these blends were investigated in detail by means of polarized optical microscopy and differential scanning calorimetry. The resulting phase diagram was used to explore the potential of these blends as emitter layers in OLEDs, which were prepared via thermal evaporation in a vacuum and spin coating of solutions.     

Predicting the site specific soil N supply under winter wheat in Germany

The expected amount of plant nitrogen (N) at harvest which originates from soil N supply is of high relevance for N fertilization planning. Due to mineralization–immobilisation turnover processes, soil N supply is influenced by N fertilization which complicates its assessment. The soil N supply consists of two components: the soil mineral N measured at early spring and the ‘effective’ N mineralization (Min^eff) under winter wheat (Triticum aestivum L.). Min^eff was defined as the difference between crop N uptake (N^crop) at harvest and N supply. Our aim was the identification and quantification of climate and site-related factors in order to achieve an improved assessment of the site-specific (long term average) Min^eff. We used N rate experiments from 411 collective seasons, carried out at 98 sites across Germany in order to analyze the impact of climate and site-related factors on Min^eff. Quadratic curves were fitted in order to describe the grain N uptake as a function of N supply. A fixed marginal N efficiency was defined in order to analyze Min^eff at a reasonable N supply. Starting with estimates for Min^eff as function of preceding crop, we found that climate (average temperature during May, annual rainfall) and site-related factors have a significant influence on Min^eff. In order to ensure that the regression model is transferable to unknown sites, a “leave one site out” cross validation was carried out. Compared to considering preceding crop only (reference), the regression model reduced the RMSE by 9.5 (calibration) or 8.3 (cross validation) kg N/ha.     

Graph Searching, Elimination Trees, and a Generalization of Bandwidth

The bandwidth minimization problem has a long history and a number of practical applications. In this paper we introduce a natural extension of bandwidth to partially ordered layouts. We consider this extension from three main viewpoints: graph searching, tree decompositions, and elimination orderings. The three graph parameters pathwidth, profile, and bandwidth related to linear layouts can be defined by variants of graph searching using a standard fugitive. Switching to an inert fugitive, the two former parameters are extended to treewidth and fill-in, and our first viewpoint considers the analogous tree-like extension that arises from the bandwidth variant. Bandwidth also has a definition in terms of ordered path decompositions, and our second viewpoint extends this in a natural way to ordered tree decompositions. In showing that both extensions are equivalent we employ the third viewpoint of elimination trees, as used in the field of sparse matrix computations. We call the resulting parameter the treespan of a graph and prove some of its combinatorial and algorithmic properties.     

Breaking Symmetries and Constraints: Transitions from 2D to 3D in Passive Walkers

The inherent dynamics of bipedal, passive mechanisms are studiedto investigate the relation between motions constrained to two-dimensional (2D)planes and those free to move in a three-dimensional (3D) environment. Inparticular, we develop numerical and analytical techniques usingdynamical-systems methodology to address the persistence and stabilitychanges of periodic, gait-like motions due to the relaxation ofconfiguration constraints and the breaking of problem symmetries. Theresults indicate the limitations of a 2D analysis to predictthe dynamics in the 3D environment. For example, it is shownhow the loss of constraints may introduce characteristically non-2Dinstability mechanisms, and how small symmetry-breaking terms may result inthe termination of solution branches.