Miracle-dz/UniFAR-FTUs huggingface dataset:
Wavefunctions derived from experiment. III. Topological analysis of crystal fragments.

A constrained wavefunction model has been used to extract a Hartree-Fock wavefunction for C2H2O4.4H2O from both low-angle (sin theta /lambda < 0.71 A-1, 571 reflections) and full (sin theta / lambda < 1.00 A-1, 968 reflections) experimental X-ray diffraction data for crystalline alpha-oxalic acid dihydrate (alpha-C2H2O4.2H2O) using polarized double-zeta and triple-zeta Gaussian basis sets. Properties obtained from the zero-flux partitioning of the total charge-density distribution derived from these wavefunctions, as well as from multipole refinement of the experimental data, are calculated and compared. This work represents the first calculation of integrated atomic properties derived from the fitting of Gaussian density functions to experimental X-ray diffraction data. In particular, atomic kinetic energies derived from experimental data are presented for the first time. The results obtained from the constrained (experimental) charge density show qualitatively similar properties to those obtained from conventional ab initio gas-phase calculations, though the quantitative differences are often substantial. The accuracy of integrated properties calculated using this procedure was established from the analysis of a wavefunction derived from simulated random-error diffraction data; that is, data obtained by adding normally distributed errors to the experimental structure factors. Analysis of this random-error wavefunction indicated that most topological properties are accurate to within approximately 5%, although the error is much larger for those properties that have a steep gradient in the region being evaluated [e.g. the value of V(2)rho(rb) at bond critical points] or are very small (e.g. the atomic dipole moment). Calculations of the constrained wavefunction using both the larger basis set and the complete set of experimental data yield results that agree quantitatively with the smaller calculations.
Evaluation method for the parameters of a magnetic hysteresis model

This paper presents a method based on use of a measurement system in order to improve the accuracy and to significantly reduce the time taken in evaluating parameters of the Jiles-Atherton's model of magnetic hysteresis. The steps of the proposed method: data acquisition from the experimental hysteresis loop of the magnetic material under test and evaluation of the model's parameters. In order to highlight the method's effectiveness, the results of experimental tests are also given.
Decentralized Massive MIMO Processing Exploring Daisy-Chain Architecture and Recursive Algorithms

Algorithms for Massive MIMO uplink detection and downlink precoding typically rely on a centralized approach, by which baseband data from all antenna modules are routed to a central node in order to be processed. In the case of Massive MIMO, where hundreds or thousands of antennas are expected in the base-station, said routing becomes a bottleneck since interconnection throughput is limited. This paper presents a fully decentralized architecture and an algorithm for Massive MIMO uplink detection and downlink precoding based on the Coordinate Descent (CD) method, which does not require a central node for these tasks. Through a recursive approach and very low complexity operations, the proposed algorithm provides a good trade-off between performance, interconnection throughput and latency. Further, our proposed solution achieves significantly lower interconnection data-rate than other architectures, enabling future scalability.
‘I’d like to think you could trust the government, but I don’t really think we can’: Australian women’s attitudes to and experiences of My Health Record

The Australian government’s Australian Digital Health Agency is working towards its goal of enrolling every Australian in My Health Record, its national electronic health record system. This article reports findings from a qualitative project involving interviews and focus groups with Australian women about their use of digital health across the range of technologies available to them, including their attitudes to and experiences of My Health Record. A feminist new materialism perspective informed the project, working to surface the affordances, affective forces and relational connections that contributed to the opening up or closing off potential agential capacities when people come together with digitised systems such as My Health Record. These findings demonstrate that people’s personal experiences and feelings, the actions of others such as the agencies responsible for system implementation and function, their healthcare providers and broader social, cultural, technological and political factors are important in shaping their knowledge, interest in and acceptance of an electronic health record system. Even among this group of participants, who were experienced and active in finding and engaging with health information online, uncertainty and a lack of awareness of and interest in My Health Record were evident among many. Affordances such as technical difficulties were major barriers to enrolling and using the system successfully. No participants had yet found any benefit or use for it. Affective forces such as lack of trust and faith in the Australian government’s general technological expertise and concerns about data privacy and security were also key in many participants’ accounts.
Photometric Transformer Networks and Label Adjustment for Breast Density Prediction

Grading breast density is highly sensitive to normalization settings of digital mammogram as the density is tightly correlated with the distribution of pixel intensity. Also, the grade varies with readers due to uncertain grading criteria. These issues are inherent in the density assessment of digital mammography. They are problematic when designing a computer-aided prediction model for breast density and become worse if the data comes from multiple sites. In this paper, we proposed two novel deep learning techniques for breast density prediction: 1) photometric transformation which adaptively normalizes the input mammograms, and 2) label distillation which adjusts the label by using its output prediction. The photometric transformer network predicts optimal parameters for photometric transformation on the fly, learned jointly with the main prediction network. The label distillation, a type of pseudo-label techniques, is intended to mitigate the grading variation. We experimentally showed that the proposed methods are beneficial in terms of breast density prediction, resulting in significant performance improvement compared to various previous approaches.
Sex differences in cerebellar synaptic transmission and sex-specific responses to autism-linked Gabrb3 mutations in mice

Neurons of the cerebellar nuclei (CbN) transmit cerebellar signals to premotor areas. The cerebellum expresses several autism-linked genes, including GABRB3, which encodes GABAA receptor β3 subunits and is among the maternal alleles deleted in Angelman syndrome. We tested how this Gabrb3 m-/p+ mutation affects CbN physiology in mice, separating responses of males and females. Wild-type mice showed sex differences in synaptic excitation, inhibition, and intrinsic properties. Relative to females, CbN cells of males had smaller synaptically evoked mGluR1/5-dependent currents, slower Purkinje-mediated IPSCs, and lower spontaneous firing rates, but rotarod performances were indistinguishable. In mutant CbN cells, IPSC kinetics were unchanged, but mutant males, unlike females, showed enlarged mGluR1/5 responses and accelerated spontaneous firing. These changes appear compensatory, since mutant males but not females performed indistinguishably from wild-type siblings on the rotarod task. Thus, sex differences in cerebellar physiology produce similar behavioral output, but provide distinct baselines for responses to mutations. DOI: http://dx.doi. org/10.7554/eLife.07596. 001
A Meta Constraint Logic Programming Scheme Universit a Degli Studi Di Bologna a Meta Constraint Logic Programming Scheme

We present a Meta Constraint Logic Programming (MCLP) general scheme. The idea behind the work concerns the possibility of building meta CLP architectures by adding CLP solvers as meta level reasoners on the constraints of the underlying object systems. In this way, we are able not only to increase the expressive power of CLP, but also to implement several constraint satisfaction techniques like arc, path and in general, k-consistency by using lower degrees of consistency algorithms in order to obtain higher degrees of consistency. The purpose of the work is to provide a general scheme which can be specialized in those domains and applications where the expressive power of CLP does not suce. A distinguishing feature of the architectural scheme concerns its operational semantics and, in particular, the linking rules between dierent levels. In this paper, we propose, as an example, two dierent specializations of a Meta CLP on nite domains (FD) architecture: the rst concerns the possibility of embedding the capability of performing qualitative reasoning in a CLP framework, while the second concerns a multi-level architecture for obtaining dierent degrees of consistency by using weaker algorithms.
CD2 and the nature of protein interactions mediating cell‐cell recognition

Summary: Rapid progress has recently been made in characterising the structures of leukocyte cell‐surface molecules. Detailed analyses of the structure and interactions of CD2 were the first involving a molecule that has not been directly linked to antigen recognition in the manner of antigen receptors or co‐receptors. It seems highly likely that the properties of ligand binding by CD2 are relevant to the general mechanisms of cell‐cell recognition. As an example of biological recognition, the defining characteristic of cell‐cell contact is that it involves che simultaneous interaction of hundreds, if not thousands, of molecules. Affinity and kinetic analyses of ligand binding by CD2 indicated that the protein interactions mediating cell‐cell contact, whilst highly specific, are much weaker than initially anticipated, probably due to the requirement that such contacts be easily reversible. Simultaneously, in addressing the mechanism of this mode of recognition, structural and mutational studies focussed on the role of charged residues clustered in the ligand‐binding face of CD2, yielding the concept that electrostatic complementarity, rather than surface‐shape complementarity, is the dominant feature of specific, low‐affinity protein recognition at die cell surface by CD2. The crystallographic analysis of the CD2‐binding domain of CD58 strongly supports this concept.
Quantifying lamella dynamics of cultured cells by SACED, a new computer-assisted motion analysis.

Formation of lamellipodia and the retraction of ruffles are essential activities during motility and migration of eukaryotic cells. We have developed a computer-assisted stroboscopic method for the continuous observation of cell dynamics (stroboscopic analysis of cell dynamics, SACED) that allows one to analyze changes in lamellipodia protrusion and ruffle retraction with high resolution in space and time. To demonstrate the potential of this method we analyzed keratinocytes in culture, unstimulated or stimulated with epidermal growth factor (EGF), which is known to induce cell motility and migration. Keratinocytes stimulated with EGF exhibited a 2.6-fold increase in their migration velocity, which coincided with enhanced ruffle retraction velocity (144%) and increased ruffle frequency (135%) compared to control cells. We also recorded an enhanced frequency of lamellipodia (135%), whereas the velocity of lamellipodia protrusion remained unchanged. These results on ruffle and lamellipodia dynamics in epidermal cells show that SACED is at least equal to established methods in terms of accuracy. SACED is, however, advantageous concerning resolution in time and therefore allows one to analyze the activity of lamellipodia and ruffles in as yet unknown detail. Moreover, SACED offers two opportunities that render this technique superior to established methods: First, several parameters relevant to cell motility can be analyzed simultaneously. Second, a large number of cells can conveniently be examined, which facilitates the compilation of statistically significant data.
SeBip: A Symbolic Executor for BIP

This paper presents SeBip, the first symbolic executor for component-based systems modeled in BIP. To tackle the path explosion problem, SeBip combines partial order reduction technique to reduce the number of interactions to be explored during executing the system symbolically. An experimental evaluation has been carried out to demonstrate the scalability of SeBip on detecting bugs.
Clustering Spatiotemporal Data: An Augmented Fuzzy C-Means

In spatiotemporal data commonly encountered in geographical systems, biomedical signals, and the like, each datum is composed of features comprising a spatial component and a temporal part. Clustering of data of this nature poses challenges, especially in terms of a suitable treatment of the spatial and temporal components of the data. In this study, proceeding with the objective function-based clustering (such as, e.g., fuzzy C-means), we revisit and augment the algorithm to make it applicable to spatiotemporal data. An augmented distance function is discussed, and the resulting clustering algorithm is provided. Two optimization criteria, i.e., a reconstruction error and a prediction error, are introduced and used as a vehicle to optimize the performance of the clustering method. Experimental results obtained for synthetic and real-world data are reported.
Trends in the Incidence and Treatment of Cerebrovascular Diseases in Korea : Part I. Intracranial Aneurysm, Intracerebral Hemorrhage, and Arteriovenous Malformation

Objective To analyze the incidence and treatment trends of hemorrhagic stroke (HS), according to HS subtypes, using nationwide data in Korea from January 2008 to December 2016. Methods We used data from the national health-claim database provided by the National Health Insurance Service for 2008–2016 using the International Classification of Diseases. The crude incidence and age-standardized incidence of each disease associated with HS, which included intracranial aneurysm (IA), hypertensive intracerebral hemorrhage (ICH), and arteriovenous malformation (AVM), were calculated and additional analysis was conducted according to age and sex. Changes in trends in treatment methods and number of treatments were analyzed for each cerebrovascular disease using the Korean Classification of Diseases procedure codes. Results In 2016, the total number of newly diagnosed adult patients with HS was 24169, showing a decrease by 7.0% since 2008; the age-standardized incidence of HS was 46.2 per 100000 person-years. The age-standardized incidence of unruptured IA (UIA) in adults was 71.4 per 100000 person-years—increased by 2.6-fold since 2008—while that of ruptured IA (RIA) was 12.6 per 100000 person-years, which had decreased at a rate of 20.3% since 2008. The number of coil embolization (CE) for UIA increased by 3.4-fold over 9 years and exceeded that of clipping since 2008. With respect to RIA, CE increased by 2.0-fold over 9 years and exceeded that of clipping from 2014. As for spontaneous ICH in adults, the age-standardized incidence was 31.3 per 100000 person-years in 2016—decreased by 34.7% since 2008—and 14.6% of patients diagnosed with ICH were treated in 2016, which was not significantly different from the proportion of patients treated since 2008. The age-standardized incidence of unruptured AVM (UAVM) was 2.0 per 100000 person-year in 2016, while that of ruptured AVM (RAVM) was 2.4 per 100000 person-years in 2016, showing a decreasing rate of 17.2% from 2008. The total number of treated patients with AVM declined since 2014. Conclusion In Korea, age-related cerebral vascular diseases, such as RIA, ICH, and RAVM, demonstrated a declining trend in agestandardized incidence; meanwhile, UIA and UAVM demonstrated an increased trend in both crude incidence and age-standardized incidence for 9 years. The increase in the elderly population, management of hypertension, and development of diagnostic and endovascular techniques appear to have influenced this trend.
Genetic profiling of a chondroblastoma‐like osteosarcoma/malignant phosphaturic mesenchymal tumor of bone reveals a homozygous deletion of CDKN2A, intragenic deletion of DMD, and a targetable FN1‐FGFR1 gene fusion

Conventional osteosarcoma is the most common primary malignancy of bone. This group of neoplasms is subclassified according to specific histological features, but hitherto there has been no correlation between subtype, treatment, and prognosis. By in‐depth genetic analyses of a chondroblastoma‐like osteosarcoma, we detect a genetic profile that is distinct from those previously reported in benign and malignant bone tumors. The overall genomic copy number profile was less complex than that typically associated with conventional osteosarcoma, and there was no activating point mutation in any of H3F3A, H3F3B, IDH1, IDH2, BRAF, or GNAS. Instead, we found a homozygous CDKN2A deletion, a DMD microdeletion and an FN1‐FGFR1 gene fusion. The latter alteration has been described in phosphaturic mesenchymal tumor. This tumor type shares some morphological features with chondroblastoma‐like osteosarcoma and we cannot rule out that the present case actually represents an FN1‐FGFR1 positive malignant phosphaturic mesenchymal tumor of bone without osteomalacia.
Talin1 targeting potentiates anti-angiogenic therapy by attenuating invasion and stem-like features of glioblastoma multiforme

Glioblastoma multiforme (GBM) possesses florid angiogenesis. However, the anti-angiogenic agent, Bevacizumab, did not improve overall survival of GBM patients. For more durable anti-angiogenic treatment, we interrogated resistant mechanisms of GBM against Bevacizumab. Serial orthotopic transplantation of in vivo Bevacizumab-treated GBM cells provoked complete refractoriness to the anti-angiogenic treatment. These tumors were also highly enriched with malignant phenotypes such as invasiveness, epithelial to mesenchymal transition, and stem-like features. Through transcriptome analysis, we identified that Talin1 (TLN1) significantly increased in the refractory GBMs. Inhibition of TLN1 not only attenuated malignant characteristics of GBM cells but also reversed the resistance to the Bevacizumab treatment. These data implicate TLN1 as a novel therapeutic target for GBM to overcome resistance to anti-angiogenic therapies.
Feasibility of Eye Tracking Assisted Vestibular Rehabilitation Strategy Using Immersive Virtual Reality

Objectives Even though vestibular rehabilitation therapy (VRT) using head-mounted display (HMD) has been highlighted recently as a popular virtual reality platform, we should consider that HMD itself do not provide interactive environment for VRT. This study aimed to test the feasibility of interactive components using eye tracking assisted strategy through neurophysiologic evidence. Methods HMD implemented with an infrared-based eye tracker was used to generate a virtual environment for VRT. Eighteen healthy subjects participated in our experiment, wherein they performed a saccadic eye exercise (SEE) under two conditions of feedback-on (F-on, visualization of eye position) and feedback-off (F-off, non-visualization of eye position). Eye position was continuously monitored in real time on those two conditions, but this information was not provided to the participants. Electroencephalogram recordings were used to estimate neural dynamics and attention during SEE, in which only valid trials (correct responses) were included in electroencephalogram analysis. Results SEE accuracy was higher in the F-on than F-off condition (P=0.039). The power spectral density of beta band was higher in the F-on condition on the frontal (P=0.047), central (P=0.042), and occipital areas (P=0.045). Beta–event-related desynchronization was significantly more pronounced in the F-on (–0.19 on frontal and –0.22 on central clusters) than in the F-off condition (0.23 on frontal and 0.05 on central) on preparatory phase (P=0.005 for frontal and P=0.024 for central). In addition, more abundant functional connectivity was revealed under the F-on condition. Conclusion Considering substantial gain may come from goal directed attention and activation of brain-network while performing VRT, our preclinical study from SEE suggests that eye tracking algorithms may work efficiently in vestibular rehabilitation using HMD.
Elimination and Plan Neighborhood Graph Search : Two Algorithms for Plan Improvement

Compared to optimal planners, satisficing planners can solve much harder problems but may produce overly costly and long plans. Plan quality for satisficing planners has become increasingly important. The most recent planning competition IPC-2008 used the cost of the best known plan divided by the cost of the generated plan as an evaluation metric. This paper proposes and evaluates two simple but effective methods for plan improvement: Action Elimination improves an existing plan by repeatedly removing sets of irrelevant actions. Plan Neighborhood Graph Search finds a new, shorter plan by creating a plan neighborhood graph PNG(π) of a given plan π, and then extracts a shortest path from PNG(π). Both methods are implemented in the ARAS postprocessor and are empirically shown to improve the result of several planners, including the top four planners from IPC-2008, under competition conditions. Improving Plan Quality Satisficing deterministic planners can solve much harder instances than optimal planners but may generate plans that are far from optimal. Earlier planning competitions have emphasized coverage in terms of total number of problems solved, as well as raw speed. The focus of IPC-2008 was on finding the best plan with a given finite amount of resources. Much work in satisficing planning has gone into generating a high quality plan directly. Such systems output a single plan and then stop. In contrast, anytime planners such as LAMA (Richter, Helmert, and Westphal 2008; Richter and Westphal 2008) and LPG (Gerevini, Saetti, and Serina 2008) aim to quickly find a lower-quality plan, then improve it over time. The contribution of this paper are two simple but effective postprocessing methods for plan improvement: Action Elimination (AE) and Plan Neighborhood Graph Search (PNGS). Both methods can take any valid plan as input and attempt to improve it. AE is a fast algorithm, while PNGS works in anytime fashion. Both AE and PNGS improve the performance of all the planners tested as measured by the IPC-2008 metric. In contrast to LAMA, the new methods search for local improvements “near” an existing plan. In contrast to LPG, they search in state space not plan space. Copyright c © 2010, Association for the Advancement of Artificial Intelligence (www.aaai.org). All rights reserved. There are many ways to measure plan quality. Two popular metrics for unit cost actions are sequential plan length measured in total number of actions, and makespan, the shortest execution time of a plan if actions can be executed in parallel. The IPC-2008 metric for non-uniform action costs (including zero) was additive cost, with the total cost of a plan defined as the sum of all action costs.
Visualization of viral DNA assembly using nonfluorescent staining

ABSTRACT We present an easy test for rapid visualization of viral DNA assemblies in infected cell cytoplasm. We selected the best stains for nuclear staining: Nile blue A, Bismarck brown, gallocyanin chrome alum, methyl green pyronin and azure II. None of the staining techniques is fluorescent, which facilitates their use in everyday experiments. Methyl green is most promising for routine detection of viral DNA assemblies in the cytoplasm; the procedure enables ready detection of viral DNA accumulation in the cytoplasm.