Mass Density Fluctuations in Quantum and Classical descriptions of Liquid Water

First principles molecular dynamics simulation protocol is established using revised functional of Perdew-Burke-Ernzerhof (revPBE) in conjunction with Grimme's third generation of dispersion (D3) correction to describe properties of water at ambient conditions. This study also demonstrates the consistency of the structure of water across both isobaric (NpT) and isothermal (NVT) ensembles. Going beyond the standard structural benchmarks for liquid water, we compute properties that are connected to both local structure and mass density uctuations that are related to concepts of solvation and hydrophobicity. We directly compare our revPBE results to the Becke-Lee-Yang-Parr (BLYP) plus Grimme dispersion corrections (D2) and both the empirical fixed charged model (SPC/E) and many body interaction potential model (MB-pol) to further our understanding of how the computed properties herein depend on the form of the interaction potential

The benefits and costs of explainable artificial intelligence in visual quality control: Evidence from fault detection performance and eye movements

Visual inspection tasks often require humans to cooperate with AI-based image classifiers. To enhance this cooperation, explainable artificial intelligence (XAI) can highlight those image areas that have contributed to an AI decision. However, the literature on visual cueing suggests that such XAI support might come with costs of its own. To better understand how the benefits and cost of XAI depend on the accuracy of AI classifications and XAI highlights, we conducted two experiments that simulated visual quality control in a chocolate factory. Participants had to decide whether chocolate moulds contained faulty bars or not, and were always informed whether the AI had classified the mould as faulty or not. In half of the experiment, they saw additional XAI highlights that justified this classification. While XAI speeded up performance, its effects on error rates were highly dependent on (X)AI accuracy. XAI benefits were observed when the system correctly detected and highlighted the fault, but XAI costs were evident for misplaced highlights that marked an intact area while the actual fault was located elsewhere. Eye movement analyses indicated that participants spent less time searching the rest of the mould and thus looked at the fault less often. However, we also observed large interindividual differences. Taken together, the results suggest that despite its potentials, XAI can discourage people from investing effort into their own information analysis

Analysis of hip joint loading during walking with different shoe types using instrumented total hip prostheses

Hip joint loads need careful consideration during postoperative physiotherapy after joint replacement. One factor influencing joint loads is the choice of footwear, but it remains unclear which footwear is favorable. The objective of the present study was to investigate the influence of footwear on hip joint loads in vivo. Instrumented hip endoprostheses were used for in vivo load measurements. The parameters resultant contact force (F-res), bending moment (M-bend) and torsional moment (M-tors) were evaluated during treadmill walking at 4 km/h with different shoe types. In general, footwear tended to increase hip joint loading, with the barefoot shoe having the least influence. F-res and M-bend were significantly increased during heel strike for all shoe types in comparison to barefoot walking, with everyday shoe (34.6%; p=0.028 and 47%; p=0.028, respectively) and men's shoe (33.2%; p=0.043 and 41.1%; p=0.043, respectively) resulting in the highest changes. M-tors at AbsMax was increased by all shoes except for the barefoot shoe, with the highest changes for men's shoe (+17.6%, p=0.043) and the shoe with stiffened sole (+17.5%, p=0.08). Shoes, especially those with stiff soles or elaborate cuishing and guiding elements, increase hip joint loads during walking. The influence on peak loads is higher for M-tors than for F-res and M-bend. For patients in which a reduction of hip joints loads is desired, e.g. during physiotherapy after recent surgery or to alleviate symptoms of osteoarthritis, low profile shoes with a flexible sole may be preferred over shoes with a stiff sole or elaborate cushioning elements

A tabu search heuristic for a dynamic transportation problem of patients between care units

29 pagesThe ambulance central station of the Hospital Complex of Tours (France) has to plan the transportation demands between care units which require a vehicle. Some demands are known in advance and the others arrive dynamically. Each demand requires a specific type of vehicle and a vehicle can transport only one person at a time. Moreover, transportations are subject to particular constraints: priority of urgent demands, disinfection of a vehicle after the transportation of a patient with contagious disease, respect of the type of vehicle, etc. This problem is related to the \emph{Dial A Ride Problem}. For solving the dynamic version of this problem, we propose a tabu search algorithm inspired by \cite{Gendreau99}. This method supports an adaptive memory which stores routes and consists in running a tabu search algorithm several times: one for improving the set of initial solutions, one for the neighborhood exploration and finally for improving the final solution. Computational experiments show that the method can provide high-quality solutions for this dynamic transportation problem