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关键词： Computer science   Epidemiology   Nutrition   Public health  

摘要： The SARS-CoV-2 virus has altered people's lives around the world. Here we document population-wide shifts in dietary interests in 18 countries in 2020, as revealed through time series of Google search volumes. We find that during the first wave of the COVID-19 pandemic there was an overall surge in food interest, larger and longer-lasting than the surge during typical end-of-year holidays in Western countries. The shock of decreased mobility manifested as a drastic increase in interest in consuming food at home and a corresponding decrease in consuming food outside of home. The largest (up to threefold) increases occurred for calorie-dense carbohydrate-based foods such as pastries, bakery products, bread, and pies. The observed shifts in dietary interests have the potential to globally affect food consumption and health outcomes. These findings can inform governmental and organizational decisions regarding measures to mitigate the effects of the COVID-19 pandemic on diet and nutrition. The SARS-CoV-2 virus has altered people's lives around the world, not only through the disease it causes, but also through unprecedented restrictions. Here the authors document population-wide shifts in dietary interests in 18 countries in 2020, as revealed through time series of Google search volumes.

关键词： Applied mathematics   Computational science   Computer science   Electrical and electronic engineering   Electronic devices  

摘要： A grand challenge in robotics is realising intelligent agents capable of autonomous interaction with the environment. In this Perspective, the authors discuss the potential, challenges and future direction of research aimed at demonstrating embodied intelligent robotics via neuromorphic technology. The design of robots that interact autonomously with the environment and exhibit complex behaviours is an open challenge that can benefit from understanding what makes living beings fit to act in the world. Neuromorphic engineering studies neural computational principles to develop technologies that can provide a computing substrate for building compact and low-power processing systems. We discuss why endowing robots with neuromorphic technologies - from perception to motor control - represents a promising approach for the creation of robots which can seamlessly integrate in society. We present initial attempts in this direction, highlight open challenges, and propose actions required to overcome current limitations.

关键词： Chemical physics   Computational chemistry   Computer science   Statistics  

摘要： The targeted discovery of molecules with specific structural and chemical properties is an open challenge in computational chemistry. Here, the authors propose a conditional generative neural network for the inverse design of 3d molecular structures. The rational design of molecules with desired properties is a long-standing challenge in chemistry. Generative neural networks have emerged as a powerful approach to sample novel molecules from a learned distribution. Here, we propose a conditional generative neural network for 3d molecular structures with specified chemical and structural properties. This approach is agnostic to chemical bonding and enables targeted sampling of novel molecules from conditional distributions, even in domains where reference calculations are sparse. We demonstrate the utility of our method for inverse design by generating molecules with specified motifs or composition, discovering particularly stable molecules, and jointly targeting multiple electronic properties beyond the training regime.

关键词： Mutagenesis   Computer science   Synthetic biology  

摘要： The successful use of CRISPR-based mutagenesis in non-conventional microorganisms requires high activity sgRNAs. Here, the authors present DeepGuide, a neural network-based architecture, that learns from genome-wide CRISPR activity profiles to accurately design Cas9 and Cas12a sgRNAs with high activity in the oleaginous yeast Yarrowia lipolytica. Genome-wide functional genetic screens have been successful in discovering genotype-phenotype relationships and in engineering new phenotypes. While broadly applied in mammalian cell lines and in E. coli, use in non-conventional microorganisms has been limited, in part, due to the inability to accurately design high activity CRISPR guides in such species. Here, we develop an experimental-computational approach to sgRNA design that is specific to an organism of choice, in this case the oleaginous yeast Yarrowia lipolytica. A negative selection screen in the absence of non-homologous end-joining, the dominant DNA repair mechanism, was used to generate single guide RNA (sgRNA) activity profiles for both SpCas9 and LbCas12a. This genome-wide data served as input to a deep learning algorithm, DeepGuide, that is able to accurately predict guide activity. DeepGuide uses unsupervised learning to obtain a compressed representation of the genome, followed by supervised learning to map sgRNA sequence, genomic context, and epigenetic features with guide activity. Experimental validation, both genome-wide and with a subset of selected genes, confirms DeepGuide's ability to accurately predict high activity sgRNAs. DeepGuide provides an organism specific predictor of CRISPR guide activity that with retraining could be applied to other fungal species, prokaryotes, and other non-conventional organisms.

关键词： Computer science   Magnetically confined plasmas   Nuclear fusion and fission   Science   Humanities and Social Sciences   multidisciplinary  

摘要： Nuclear fusion using magnetic confinement, in particular in the tokamak configuration, is a promising path towards sustainable energy. A core challenge is to shape and maintain a high-temperature plasma within the tokamak vessel. This requires high-dimensional, high-frequency, closed-loop control using magnetic actuator coils, further complicated by the diverse requirements across a wide range of plasma configurations. In this work, we introduce a previously undescribed architecture for tokamak magnetic controller design that autonomously learns to command the full set of control coils. This architecture meets control objectives specified at a high level, at the same time satisfying physical and operational constraints. This approach has unprecedented flexibility and generality in problem specification and yields a notable reduction in design effort to produce new plasma configurations. We successfully produce and control a diverse set of plasma configurations on the Tokamak a Configuration Variable(1,2), including elongated, conventional shapes, as well as advanced configurations, such as negative triangularity and 'snowflake' configurations. Our approach achieves accurate tracking of the location, current and shape for these configurations. We also demonstrate sustained 'droplets' on TCV, in which two separate plasmas are maintained simultaneously within the vessel. This represents a notable advance for tokamak feedback control, showing the potential of reinforcement learning to accelerate research in the fusion domain, and is one of the most challenging real-world systems to which reinforcement learning has been applied.

关键词： Thermoelectrics   Computational methods   Computer science  

摘要： Electrons and phonons give rise to important properties of materials. The machine learning framework Mat2Spec vastly accelerates their computational characterization, enabling discovery of materials for thermoelectrics and solar energy technologies. Machine learning for materials discovery has largely focused on predicting an individual scalar rather than multiple related properties, where spectral properties are an important example. Fundamental spectral properties include the phonon density of states (phDOS) and the electronic density of states (eDOS), which individually or collectively are the origins of a breadth of materials observables and functions. Building upon the success of graph attention networks for encoding crystalline materials, we introduce a probabilistic embedding generator specifically tailored to the prediction of spectral properties. Coupled with supervised contrastive learning, our materials-to-spectrum (Mat2Spec) model outperforms state-of-the-art methods for predicting ab initio phDOS and eDOS for crystalline materials. We demonstrate Mat2Spec's ability to identify eDOS gaps below the Fermi energy, validating predictions with ab initio calculations and thereby discovering candidate thermoelectrics and transparent conductors. Mat2Spec is an exemplar framework for predicting spectral properties of materials via strategically incorporated machine learning techniques.

关键词： education   graduate   undergraduate   computer science   coding   programming   data science  

摘要： Neuroscience education is at an impasse-we need to teach students coding, but many institutions do not have the resources to do so. Here, I outline three major barriers, as well as solutions, to bringing programming education into our undergraduate and graduate programs.

关键词： Computer science   Information theory and computation   Quantum information  

摘要： There has been recent promising experimental and theoretical evidence that quantum computational tools might enhance the precision and efficiency of physical experiments. However, a systematic treatment and comprehensive framework are missing. Here we initiate the systematic study of experimental quantum physics from the perspective of computational complexity. To this end, we define the framework of quantum algorithmic measurements (QUALMs), a hybrid of black box quantum algorithms and interactive protocols. We use the QUALM framework to study two important experimental problems in quantum many-body physics: determining whether a system's Hamiltonian is time-independent or time-dependent, and determining the symmetry class of the dynamics of the system. We study abstractions of these problems and show for both cases that if the experimentalist can use her experimental samples coherently (in both space and time), a provable exponential speedup is achieved compared to the standard situation in which each experimental sample is accessed separately. Our work suggests that quantum computers can provide a new type of exponential advantage: exponential savings in resources in quantum experiments. Applying the language of computational complexity to study real-world experiments requires a rigorous framework. Here, the authors provide such a framework and establish that there can be an exponential savings in resources if an experimentalist can entangle apparatuses with experimental samples.

关键词： Machine learning   Computer science  

摘要： Driving a racing car requires a tremendous amount of skill. Now, artificial intelligence has challenged the idea that this skill is exclusive to humans - and it might even change the way automated vehicles are designed.

关键词： Applied mathematics   Computer science   Science   Humanities and Social Sciences   multidisciplinary  

摘要： Many potential applications of artificial intelligence involve making real-time decisions in physical systems while interacting with humans. Automobile racing represents an extreme example of these conditions;drivers must execute complex tactical manoeuvres to pass or block opponents while operating their vehicles at their traction limits'. Racing simulations, such as the PlayStation game Gran Turismo, faithfully reproduce the non-linear control challenges of real race cars while also encapsulating the complex multi-agent interactions. Here we describe how we trained agents for Gran Turismo that can compete with the world's best e-sports drivers. We combine state-of-the-art, model-free, deep reinforcement learning algorithms with mixed-scenario training to learn an integrated control policy that combines exceptional speed with impressive tactics. In addition, we construct a reward function that enables the agent to be competitive while adhering to racing's important, but under-specified, sportsmanship rules. We demonstrate the capabilities of our agent, Gran Turismo Sophy, by winning a head-to-head competition against four of the world's best Gran Turismo drivers. By describing how we trained championship-level racers, we demonstrate the possibilities and challenges of using these techniques to control complex dynamical systems in domains where agents must respect imprecisely defined human norms.