P19. Head impacts in youth soccer are comparable to American Football

Head Impacts in youth soccer are comparable to American Football Alexandra Harriss1, Aakash Naik1, David M. Walton2, James P. Dickey1 School of Kinesiology1, School of Physical Therapy2, Western University, London, Canada Background: Research has unequivocally demonstrated that females and youth soccer players are at a significant high risk of concussion. Recently, concerns for “heading” have been raised due to possible adverse neurological effects. While head impact accelerations and rotations have been investigated in American football, head impacts in youth soccer have not been rigorously studied. The purpose is to measure impact accelerations that result from different heading scenarios during youth soccer games. Methods: 16 players on an U-14 female youth soccer team were fitted with headbands instrumented with wireless sensors (GForceTracker, Artaflex Inc., Markham, Ontario, Canada) during eight soccer games. All games were video recorded to characterize heading scenario. Peak linear acceleration, and peak rotational velocity were recorded for each header. Results: A total of 126 header impacts were recorded, and long-range kicks accounted for 40% of all headers. Average header peak linear acceleration was 16.78 g and ranged from 7.96 g (ball deflection) to 38.62 g (drop kick). Average header peak rotational velocity was 1063 °/s and ranged from 37 °/s (long-range kick) to 2791 °/s (long-range kick). Discussions and conclusions: Header accelerations experienced by youth players depend on game scenario with largest impact accelerations from drop kicks and long-range kicks. Although the number of head impacts is smaller in soccer compared to American football, the impact magnitudes are comparable. Interdisciplinary Reflection: While the measured head accelerations are below injury thresholds, these data provide insight into the magnitude of head impacts in soccer and possible contribution to long-term cognitive deficits

A foundation model for atomistic materials chemistry

Machine-learned force fields have transformed the atomistic modelling of materials by enabling simulations of ab initio quality on unprecedented time and length scales. However, they are currently limited by: (i) the significant computational and human effort that must go into development and validation of potentials for each particular system of interest; and (ii) a general lack of transferability from one chemical system to the next. Here, using the state-of-the-art MACE architecture we introduce a single general-purpose ML model, trained on a public database of 150k inorganic crystals, that is capable of running stable molecular dynamics on molecules and materials. We demonstrate the power of the MACE-MP-0 model - and its qualitative and at times quantitative accuracy - on a diverse set problems in the physical sciences, including the properties of solids, liquids, gases, chemical reactions, interfaces and even the dynamics of a small protein. The model can be applied out of the box and as a starting or "foundation model" for any atomistic system of interest and is thus a step towards democratising the revolution of ML force fields by lowering the barriers to entry.Comment: 119 pages, 63 figures, 37MB PD

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DOS Comparison plots visualizer

<p>This software is published as part of our publication: <a href="https://www.nature.com/articles/s41597-023-02477-5">A Quantum-Chemical Bonding Database for Solid-State Materials</a></p><p>Convenience apps to visualize and explore the saved comparison plots between LOBSTER LSO DOS with VASP DOS</p&gt

Hardware-Friendly Synaptic Orders and Timescales in Liquid State Machines for Speech Classification

Liquid State Machines are brain inspired spiking neural networks (SNNs) with random reservoir connectivity and bio-mimetic neuronal and synaptic models. Reservoir computing networks are proposed as an alternative to deep neural networks to solve temporal classification problems. Previous studies suggest 2nd order (double exponential) synaptic waveform to be crucial for achieving high accuracy for TI-46 spoken digits recognition. The proposal of long-time range (ms) bio-mimetic synaptic waveforms is a challenge to compact and power efficient neuromorphic hardware. In this work, we analyze the role of synaptic orders namely:.. (high output for single time step), 0th (rectangular with a finite pulse width), 1st (exponential fall) and 2nd order (exponential rise and fall) and synaptic timescales on the reservoir output response and on the TI-46 spoken digits classification accuracy under a more comprehensive parameter sweep. We find the optimal operating point to be correlated to an optimal range of spiking activity in the reservoir. Further, the proposed 0th order synapses perform at par with the biologically plausible 2nd order synapses. This is substantial relaxation for circuit designers as synapses are the most abundant components in an in-memory implementation for SNNs. The circuit benefits for both analog and mixed-signal realizations of 0th order synapse are highlighted demonstrating 2-3 orders of savings in area and power consumptions by eliminating Op-Amps and Digital to Analog Converter circuits. This has major implications on a complete neural network implementation with focus on peripheral limitations and algorithmic simplifications to overcome them.Peer reviewe

A Quantum-Chemical Bonding Database for Solid-State Materials

Abstract An in-depth insight into the chemistry and nature of the individual chemical bonds is essential for understanding materials. Bonding analysis is thus expected to provide important features for large-scale data analysis and machine learning of material properties. Such chemical bonding information can be computed using the LOBSTER software package, which post-processes modern density functional theory data by projecting the plane wave-based wave functions onto an atomic orbital basis. With the help of a fully automatic workflow, the VASP and LOBSTER software packages are used to generate the data. We then perform bonding analyses on 1520 compounds (insulators and semiconductors) and provide the results as a database. The projected densities of states and bonding indicators are benchmarked on standard density-functional theory computations and available heuristics, respectively. Lastly, we illustrate the predictive power of bonding descriptors by constructing a machine learning model for phononic properties, which shows an increase in prediction accuracies by 27% (mean absolute errors) compared to a benchmark model differing only by not relying on any quantum-chemical bonding features

Automated Bonding Analysis with Crystal Orbital Hamilton Populations

Understanding crystalline structures based on their chemical bonding is growing in importance. In this context, chemical bonding can be studied with the Crystal Orbital Hamilton Population (COHP), allowing to quantify interatomic bond strength. Here we present a new set of tools to automate the calculation of COHP and analyze the results. We use the program packages VASP and LOBSTER and the Python packages atomate and pymatgen. The analysis produced by our tools includes plots, a textual description, and key data in machine-readable format. To illustrate those capabilities, we have selected simple test compounds (NaCl, GaN), the oxynitrides BaTaO2N, CaTaO2N, and SrTaO2N, and the thermoelectric material Yb14Mn1Sb11. We show correlations between bond strengths and stabilities in the oxynitrides, as well as the influence of the Mn-Sb bonds on the magnetism in Yb14Mn1Sb11. Our contribution enables high-throughput bonding analysis and will facilitate the use of bonding information for machine learning studies

Automated Bonding Analysis with Crystal Orbital Hamilton Populations

Understanding crystalline structures based on their chemical bonding is growing in importance. In this context, chemical bonding can be studied with the Crystal Orbital Hamilton Population (COHP), allowing for quantifying interatomic bond strength. Here we present a new set of tools to automate the calculation of COHP and analyze the results. We use the program packages VASP and LOBSTER, and the Python packages atomate and pymatgen. The analysis produced by our tools includes plots, a textual description, and key data in a machine-readable format. To illustrate those capabilities, we have selected simple test compounds (NaCl, GaN), the oxynitrides BaTaO2N, CaTaO2N, and SrTaO2N, and the thermoelectric material Yb14Mn1Sb11. We show correlations between bond strengths and stabilities in the oxynitrides and the influence of the Mn

Conventional and frugal methods of estimating COVID-19-related excess deaths and undercount factors.

Across the world, the officially reported number of COVID-19 deaths is likely an undercount. Establishing true mortality is key to improving data transparency and strengthening public health systems to tackle future disease outbreaks. In this study, we estimated excess deaths during the COVID-19 pandemic in the Pune region of India. Excess deaths are defined as the number of additional deaths relative to those expected from pre-COVID-19-pandemic trends. We integrated data from: (a) epidemiological modeling using pre-pandemic all-cause mortality data, (b) discrepancies between media-reported death compensation claims and official reported mortality, and (c) the wisdom of crowds public surveying. Our results point to an estimated 14,770 excess deaths [95% CI 9820-22,790] in Pune from March 2020 to December 2021, of which 9093 were officially counted as COVID-19 deaths. We further calculated the undercount factor-the ratio of excess deaths to officially reported COVID-19 deaths. Our results point to an estimated undercount factor of 1.6 [95% CI 1.1-2.5]. Besides providing similar conclusions about excess deaths estimates across different methods, our study demonstrates the utility of frugal methods such as the analysis of death compensation claims and the wisdom of crowds in estimating excess mortality

The impact of air pollution on deaths, disease burden, and life expectancy across the states of India: the Global Burden of Disease Study 2017

Summary: Background: Air pollution is a major planetary health risk, with India estimated to have some of the worst levels globally. To inform action at subnational levels in India, we estimated the exposure to air pollution and its impact on deaths, disease burden, and life expectancy in every state of India in 2017. Methods: We estimated exposure to air pollution, including ambient particulate matter pollution, defined as the annual average gridded concentration of PM2.5, and household air pollution, defined as percentage of households using solid cooking fuels and the corresponding exposure to PM2.5, across the states of India using accessible data from multiple sources as part of the Global Burden of Diseases, Injuries, and Risk Factors Study (GBD) 2017. The states were categorised into three Socio-demographic Index (SDI) levels as calculated by GBD 2017 on the basis of lag-distributed per-capita income, mean education in people aged 15 years or older, and total fertility rate in people younger than 25 years. We estimated deaths and disability-adjusted life-years (DALYs) attributable to air pollution exposure, on the basis of exposure–response relationships from the published literature, as assessed in GBD 2017; the proportion of total global air pollution DALYs in India; and what the life expectancy would have been in each state of India if air pollution levels had been less than the minimum level causing health loss. Findings: The annual population-weighted mean exposure to ambient particulate matter PM2·5 in India was 89·9 μg/m3 (95% uncertainty interval [UI] 67·0–112·0) in 2017. Most states, and 76·8% of the population of India, were exposed to annual population-weighted mean PM2·5 greater than 40 μg/m3, which is the limit recommended by the National Ambient Air Quality Standards in India. Delhi had the highest annual population-weighted mean PM2·5 in 2017, followed by Uttar Pradesh, Bihar, and Haryana in north India, all with mean values greater than 125 μg/m3. The proportion of population using solid fuels in India was 55·5% (54·8–56·2) in 2017, which exceeded 75% in the low SDI states of Bihar, Jharkhand, and Odisha. 1·24 million (1·09–1·39) deaths in India in 2017, which were 12·5% of the total deaths, were attributable to air pollution, including 0·67 million (0·55–0·79) from ambient particulate matter pollution and 0·48 million (0·39–0·58) from household air pollution. Of these deaths attributable to air pollution, 51·4% were in people younger than 70 years. India contributed 18·1% of the global population but had 26·2% of the global air pollution DALYs in 2017. The ambient particulate matter pollution DALY rate was highest in the north Indian states of Uttar Pradesh, Haryana, Delhi, Punjab, and Rajasthan, spread across the three SDI state groups, and the household air pollution DALY rate was highest in the low SDI states of Chhattisgarh, Rajasthan, Madhya Pradesh, and Assam in north and northeast India. We estimated that if the air pollution level in India were less than the minimum causing health loss, the average life expectancy in 2017 would have been higher by 1·7 years (1·6–1·9), with this increase exceeding 2 years in the north Indian states of Rajasthan, Uttar Pradesh, and Haryana. Interpretation: India has disproportionately high mortality and disease burden due to air pollution. This burden is generally highest in the low SDI states of north India. Reducing the substantial avoidable deaths and disease burden from this major environmental risk is dependent on rapid deployment of effective multisectoral policies throughout India that are commensurate with the magnitude of air pollution in each state. Funding: Bill & Melinda Gates Foundation; and Indian Council of Medical Research, Department of Health Research, Ministry of Health and Family Welfare, Government of India