英国新冠肺炎禁闭: 对空气污染有什么影响 | 网络科学论文速递21篇
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英国新冠肺炎禁闭: 对空气污染有什么影响；
监测新型冠状病毒肺炎流感大流行下的全球情绪；
网络中随机播种策略的评估；
基于资源分配的超边界预测；
奥地利社交媒体在2010年新型冠状病毒肺炎的情绪仪表板；
局部光谱图过滤框架: 统一框架，设计考虑的调查和数值比较；
青少年幸福感测量: 幼稚数字痕迹与调查数据的对应；
自适应扩散下的多观测谣言源检测；
放大图中的混沌涨落；
心理物理学: 两个耦合的正方形脉冲神经元在临界状态下具有巨大的动态范围；
近不可压缩性角膜弹性横观各向同性: 声学微切削 OCE 模型与实验；
波前成形多模光纤单次激发光声荧光微内窥镜；
从大分子中探索配体解离的工作流程: 有效的随机加速分子动力学模拟和配体轨迹的相互作用指纹分析；
用光泵激发大分子的非平衡态；
启动推理增加意图，戴上面罩，以减缓新型冠状病毒肺炎传播；
遗传程序访问计划解决方案可以减少严峻的新型冠状病毒肺炎流感大流行的人口禁闭；
使用概率细胞自动机研究计算模型新型冠状病毒肺炎流行；
几何，推理，复杂性和民主；
在流行期间计算风险增量以做出决策；
社会信任网络中的意见最大；
用光电子发射能谱测量共振非弹性 x 射线散射: 计算研究；
英国新型冠状病毒肺炎禁闭:
对空气污染有什么影响
原文标题：
UK COVID-19 Lockdown: What are the impacts on air pollution
地址：
http://arxiv.org/abs/2006.10785
作者:
J. E. Higham,M. A. Green,C. Acosta Ramirez
Abstract：A country-wide `lock-down' imposed on the 23red March 2020 in the UK had a significant impact on the UK's anthropogenic movements. The closure of work-places and restrictions imposed on visiting friends and family has radically reduced the amount of traffic on the roads. In this short communication, we use data from UK air-quality sensors to quantify air pollution trends pre- and post-lock-down. While we detect large falls in nitrogen dioxide at levels not seen over the last decade, trends in other pollutants were mixed especially when compared to historical data. It suggests that the implication that lock-down was beneficial for the environment was not so obvious.
摘要：2020年3月23日，英国实施了全国范围的“封锁” ，对英国的人为活动产生了重大影响。工作场所的关闭以及对探望朋友和家人的限制大大减少了道路上的交通量。在这个简短的交流中，我们使用来自英国空气质量传感器的数据来量化封锁前后的空气污染趋势。虽然我们检测到二氧化氮的水平大幅下降，但是其他污染物的趋势却好坏参半，尤其是与历史数据相比。这表明，封锁有利于环境的含义并不是那么明显。
监测新型冠状病毒
肺炎流感大流行下的全球情绪
原文标题：
SenWave: Monitoring the Global Sentiments under the COVID-19 Pandemic
地址：
http://arxiv.org/abs/2006.10842
作者:
Qiang Yang,Hind Alamro,Somayah Albaradei,Adil Salhi,Xiaoting Lv,Changsheng Ma,Manal Alshehri,Inji Jaber,Faroug Tifratene,Wei Wang,Takashi Gojobori,Carlos M. Duarte,Xin Gao,Xiangliang Zhang
Abstract：Since the first alert launched by the World Health Organization (5 January, 2020), COVID-19 has been spreading out to over 180 countries and territories. As of June 18, 2020, in total, there are now over 8,400,000 cases and over 450,000 related deaths. This causes massive losses in the economy and jobs globally and confining about 58% of the global population. In this paper, we introduce SenWave, a novel sentimental analysis work using 105+ million collected tweets and Weibo messages to evaluate the global rise and falls of sentiments during the COVID-19 pandemic. To make a fine-grained analysis on the feeling when we face this global health crisis, we annotate 10K tweets in English and 10K tweets in Arabic in 10 categories, including optimistic, thankful, empathetic, pessimistic, anxious, sad, annoyed, denial, official report, and joking. We then utilize an integrated transformer framework, called simpletransformer, to conduct multi-label sentimental classification by fine-tuning the pre-trained language model on the labeled data. Meanwhile, in order for a more complete analysis, we also translate the annotated English tweets into different languages (Spanish, Italian, and French) to generated training data for building sentiment analysis models for these languages. SenWave thus reveals the sentiment of global conversation in six different languages on COVID-19 (covering English, Spanish, French, Italian, Arabic and Chinese), followed the spread of the epidemic. The conversation showed a remarkably similar pattern of rapid rise and slow decline over time across all nations, as well as on special topics like the herd immunity strategies, to which the global conversation reacts strongly negatively. Overall, SenWave shows that optimistic and positive sentiments increased over time, foretelling a desire to seek, together, a reset for an improved COVID-19 world.
摘要：自从世界卫生组织发布第一个预警(2020年1月5日)以来，新型冠状病毒肺炎已经向180多个国家和地区传播。截至2020年6月18日，总共有超过8,400,000个病例和超过450,000个相关死亡。这导致全球经济和就业机会大量减少，限制了全球约58% 的人口。在本文中，我们介绍 SenWave，一个新颖的情感分析工作，使用收集的1.05亿条推特和微博信息来评估全球在新型冠状病毒肺炎流感大流行期间情感的兴衰。为了对我们面对这场全球健康危机时的感受进行细致的分析，我们将10K 条推文用英语注释，10K 条推文用阿拉伯语注释，分为10个类别，包括乐观、感恩、同情、悲观、焦虑、悲伤、烦恼、否认、官方报告和开玩笑。然后，我们利用一个集成的变换器框架，称为简单变换器，进行多标签情感分类，通过微调前训练语言模型的标记数据。与此同时，为了进行更全面的分析，我们还将带注释的英文 tweets 翻译成不同的语言(西班牙语、意大利语和法语) ，以生成用于构建这些语言的情感分析模型的培训数据。因此，SenWave 揭示了流行病传播之后，全球对话在新型冠状病毒肺炎上以6种不同语言(包括英语、西班牙语、法语、意大利语、阿拉伯语和中文)进行的情绪。随着时间的推移，在所有国家，以及在诸如群体免疫策略这样的特殊话题上，全球对话都会产生强烈的负面反应，这种对话显示出一种非常相似的快速上升和缓慢下降的模式。总的来说，SenWave 显示乐观和积极的情绪随着时间的推移而增长，预示着一种共同寻求改善新型冠状病毒肺炎世界的愿望。
网络中随机播种策略的评估
原文标题：
Evaluating stochastic seeding strategies in networks
地址：
http://arxiv.org/abs/1809.09561
作者:
Alex Chin,Dean Eckles,Johan Ugander
Abstract：When trying to maximize the adoption of a behavior in a population connected by a social network, it is common to strategize about where in the network to seed the behavior, often with an element of randomness. Selecting seeds uniformly at random is a basic but compelling strategy in that it distributes seeds broadly throughout the network. A more sophisticated stochastic strategy, one-hop targeting, is to select random network neighbors of random individuals; this exploits a version of the friendship paradox, whereby the friend of a random individual is expected to have more friends than a random individual, with the hope that seeding a behavior at more connected individuals leads to more adoption. Many seeding strategies have been proposed, but empirical evaluations have demanded large field experiments designed specifically for this purpose and have yielded relatively imprecise comparisons of strategies. Here we show how stochastic seeding strategies can be evaluated more efficiently in such experiments, how they can be evaluated "off-policy" using existing data arising from experiments designed for other purposes, and how to design more efficient experiments. In particular, we consider contrasts between stochastic seeding strategies and analyze nonparametric estimators adapted from policy evaluation and importance sampling. We use simulations on real networks to show that the proposed estimators and designs can increase precision while yielding valid inference. We then apply our proposed estimators to two field experiments, one that assigned households to an intensive marketing intervention and one that assigned students to an anti-bullying intervention.
摘要：当试图最大化一个行为在社会网络连接的人群中的采用时，通常需要制定策略，在网络中的什么地方种子行为，通常带有随机性元素。统一地随机选择种子是一种基本但强制性的策略，因为它在整个网络中广泛地分布种子。一个更复杂的随机策略，一跳定位，是选择随机个体的随机网络邻居; 这利用了友谊悖论的一个版本，即一个随机个体的朋友被期望拥有比一个随机个体更多的朋友，希望在联系更多的个体身上种下一种行为会导致更多的被收养。已经提出了许多种子战略，但经验性评价要求专门为此目的进行大规模实地试验，并得出了相对不精确的战略比较。在这里，我们展示了如何在此类实验中更有效地评估随机播种策略，如何利用为其他目的设计的实验中产生的现有数据来评估”非政策”策略，以及如何设计更有效的实验。特别地，我们考虑了随机播种策略之间的对比，并分析了适用于政策评估和重要性抽样的非参数估计。在实际网络上的仿真结果表明，所提出的估计器和设计方法能够在提高精度的同时产生有效的推理。然后，我们将我们提出的估计应用于两个实地实验，一个是指定家庭进行强化营销干预，另一个是指定学生进行反欺凌干预。
基于资源分配的超边界预测
原文标题：
HPRA: Hyperedge Prediction using Resource Allocation
地址：
http://arxiv.org/abs/2006.11070
作者:
Tarun Kumar,K Darwin,Srinivasan Parthasarathy,Balaraman Ravindran
Abstract：Many real-world systems involve higher-order interactions and thus demand complex models such as hypergraphs. For instance, a research article could have multiple collaborating authors, and therefore the co-authorship network is best represented as a hypergraph. In this work, we focus on the problem of hyperedge prediction. This problem has immense applications in multiple domains, such as predicting new collaborations in social networks, discovering new chemical reactions in metabolic networks, etc. Despite having significant importance, the problem of hyperedge prediction hasn't received adequate attention, mainly because of its inherent complexity. In a graph with n nodes the number of potential edges is
摘要：许多现实世界的系统涉及高阶交互，因此需要复杂的模型，例如超图。例如，一篇研究文章可能有多个合作作者，因此，共同作者网络最好表示为一个超图。在这项工作中，我们重点关注超边缘预测问题。这个问题在多个领域都有巨大的应用，例如预测社交网络中的新协作，发现代谢网络中的新化学反应等。尽管非常重要，但是超边缘预测问题并未得到足够的重视，主要是因为其固有的复杂。在图中
奥地利社交媒体在2010年
新型冠状病毒肺炎的情绪仪表板
原文标题：
Dashboard of sentiment in Austrian social media during COVID-19
地址：
http://arxiv.org/abs/2006.11158
作者:
Max Pellert,Jana Lasser,Hannah Metzler,David Garcia
Abstract：To track online emotional expressions of the Austrian population close to real-time during the COVID-19 pandemic, we build a self-updating monitor of emotion dynamics using digital traces from three different data sources. This enables decision makers and the interested public to assess issues such as the attitude towards counter-measures taken during the pandemic and the possible emergence of a (mental) health crisis early on. We use web scraping and API access to retrieve data from the news platform derstandard.at, Twitter and a chat platform for students. We document the technical details of our workflow in order to provide materials for other researchers interested in building a similar tool for different contexts. Automated text analysis allows us to highlight changes of language use during COVID-19 in comparison to a neutral baseline. We use special word clouds to visualize that overall difference. Longitudinally, our time series show spikes in anxiety that can be linked to several events and media reporting. Additionally, we find a marked decrease in anger. The changes last for remarkably long periods of time (up to 12 weeks). We discuss these and more patterns and connect them to the emergence of collective emotions. The interactive dashboard showcasing our data is available online under http://www.mpellert.at/covid19_monitor_austria/. Our work has attracted media attention and is part of an web archive of resources on COVID-19 collected by the Austrian National Library.
摘要：为了在新型冠状病毒肺炎流感大流行期间近乎实时地跟踪奥地利人群的在线情绪表达，我们使用来自3个不同数据源的数字追踪建立了一个自我更新的情绪动态监测器。这使决策者和感兴趣的公众能够评估各种问题，例如对在大流行期间采取的应对措施的态度以及可能在早期出现的(心理)健康危机。我们使用 web 抓取和 API 访问从新闻平台检索数据http://derstandard.at/。学生的 Twitter 和 achat 平台。我们记录我们工作流程的技术细节，以便为其他有兴趣在不同环境下构建类似工具的研究人员提供资料。自动的文本分析允许我们突出显示语言使用的变化在新型冠状病毒肺炎一个中立的基准。我们用特殊的词语云来形象化整体差异。纵向来看，我们的时间序列显示了焦虑的尖峰，这可能与几个事件和媒体报道有关。此外，我们发现愤怒情绪明显减少。这种变化持续了相当长的一段时间(长达12周)。我们讨论这些以及更多的模式，并将它们与集体情感的出现联系起来。展示我们数据的互动仪表板可以在http://www.mpellert.at/covid19_monitor_austria/。我们的工作已经吸引了媒体的注意，并且是奥地利国家图书馆收集的新型冠状病毒肺炎图书馆资源网络档案的一部分。
局部光谱图过滤框架:
统一框架，设计考虑的调查和数值比较
原文标题：
Localized Spectral Graph Filter Frames: A Unifying Framework, Survey of Design Considerations, and Numerical Comparison
地址：
http://arxiv.org/abs/2006.11220
作者:
David I Shuman
Abstract：Representing data residing on a graph as a linear combination of building block signals can enable efficient and insightful visual or statistical analysis of the data, and such representations prove useful as regularizers in signal processing and machine learning tasks. Designing such collections of building block signals -- or more formally, dictionaries of atoms -- that specifically account for the underlying graph structure as well as any available representative training signals has been an active area of research over the last decade. In this article, we survey a particular class of dictionaries called localized spectral graph filter frames, whose atoms are created by localizing spectral patterns to different regions of the graph. After showing how this class encompasses a variety of approaches from spectral graph wavelets to graph filter banks, we focus on the two main questions of how to design the spectral filters and how to select the center vertices to which the patterns are localized. Throughout, we emphasize computationally efficient methods that ensure the resulting transforms and their inverses can be applied to data residing on large, sparse graphs. We demonstrate how this class of transform methods can be used in signal processing tasks such as denoising and non-linear approximation, and provide code for readers to experiment with these methods in new application domains.
摘要：将图表上的数据表示为一个线性组合的积木信号，可以对数据进行有效和深刻的视觉或统计分析，这种表示方式在信号处理和机器学习任务中被证明是有用的。设计这样的构建块信号集合---- 或者更正式地说，原子词典---- 特别考虑到底层图形结构以及任何可用的代表性训练信号，已经成为过去十年研究的一个活跃领域。在本文中，我们调查了一类特殊的词典称为局部光谱图过滤框架，其原子是通过局部化光谱模式到图的不同区域来创建的。在展示了这个类如何包含从谱图小波到图形滤波器组的各种方法之后，我们着重讨论了两个主要问题: 如何设计谱滤波器以及如何选择图形被定位到的中心点。自始至终，我们强调计算效率的方法，以确保生成的变换和他们的反演可以应用于大型，稀疏图的数据驻留。我们演示了这类变换方法如何用于信号处理任务，如去噪和非线性逼近，并为读者提供代码实验这些方法在新的应用领域。
青少年幸福感测量:
幼稚数字痕迹与调查数据的对应
原文标题：
Measuring Adolescents' Well-being: Correspondence of Naive Digital Traces to Survey Data
地址：
http://arxiv.org/abs/2006.11176
作者:
Elizaveta Sivak,Ivan Smirnov
Abstract：Digital traces are often used as a substitute for survey data. However, it is unclear whether and how digital traces actually correspond to the survey-based traits they purport to measure. This paper examines correlations between self-reports and digital trace proxies of depression, anxiety, mood, social integration and sleep among high school students. The study is based on a small but rich multilayer data set (N = 144). The data set contains mood and sleep measures, assessed daily over a 4-month period, along with survey measures at two points in time and information about online activity from VK, the most popular social networking site in Russia. Our analysis indicates that 1) the sentiments expressed in social media posts are correlated with depression; namely, adolescents with more severe symptoms of depression write more negative posts, 2) late-night posting indicates less sleep and poorer sleep quality, and 3) students who were nominated less often as somebody's friend in the survey have fewer friends on VK and their posts receive fewer "likes." However, these correlations are generally weak. These results demonstrate that digital traces can serve as useful supplements to, rather than substitutes for, survey data in studies on adolescents' well-being. These estimates of correlations between survey and digital trace data could provide useful guidelines for future research on the topic.
摘要：数字痕迹经常被用作调查数据的替代品。然而，目前还不清楚数字痕迹是否以及如何与他们声称要测量的基于调查的特征相对应。本文研究了高中生自我报告与抑郁、焦虑、情绪、社会整合和睡眠的数字痕迹代理之间的相关性。这项研究是基于一个小而丰富的多层数据集(n = 144)。这些数据包括情绪和睡眠测量数据，在4个月的时间里每天进行评估，同时还包括两个时间点的调查测量数据，以及俄罗斯最受欢迎的社交网站 VK 提供的有关在线活动的信息。我们的分析表明: 1)社交媒体帖子中表达的情绪与抑郁症有关; 也就是说，抑郁症症状更严重的青少年写的负面帖子更多; 2)深夜发帖意味着睡眠更少、睡眠质量更差; 3)在调查中被提名为朋友的学生在 VK 上的朋友更少，他们的帖子得到的“赞”也更少 然而，这些相关性普遍较弱。这些结果表明，在青少年幸福研究中，数字痕迹可以作为调查数据的有用补充，而不是替代。这些关于调查和数字痕迹数据之间相关性的估计可以为今后关于这一主题的研究提供有用的指导。
自适应扩散下的多观测谣言源检测
原文标题：
Rumor source detection with multiple observations under adaptive diffusions
地址：
http://arxiv.org/abs/2006.11211
作者:
Miklos Z. Racz,Jacob Richey
Abstract：Recent work, motivated by anonymous messaging platforms, has introduced adaptive diffusion protocols which can obfuscate the source of a rumor: a "snapshot adversary" with access to the subgraph of "infected" nodes can do no better than randomly guessing the entity of the source node. What happens if the adversary has access to multiple independent snapshots? We study this question when the underlying graph is the infinite d-
摘要：最近在匿名消息传递平台的推动下，引入了自适应扩散协议，可以模糊谣言的来源: 一个“快照对手”访问“被感染”节点的子图，只能做到随机猜测源节点的实体。如果对手可以访问多个独立的快照会发生什么？当底图是无穷大时，我们研究这个问题d- 普通树。我们证明了(1)在两个独立的快照情况下，仍然可能存在一种弱形式的源混淆，但是(2)已经有了三个观察值，有一个简单的算法，不管自适应扩散协议如何，都可以找到具有常数概率的谣言源。我们还刻画了自适应扩散协议在本地扩散和源模糊之间的权衡(在单个快照下)。这些结果提出了关于在社会网络中传播信息时匿名保证的稳健性的问题。
放大图中的混沌涨落
原文标题：
Chaotic fluctuations in graphs with amplification
地址：
http://arxiv.org/abs/2006.11015
作者:
Stefano Lepri
Abstract：We consider a model for chaotic diffusion with amplification on graphs associated with piecewise-linear maps of the interval. We investigate the possibility of having power-law tails in the invariant measure by approximate solution of the Perron-Frobenius equation and discuss the connection with the generalized Lyapunov exponents
摘要：我们考虑了一个带图形放大的混沌扩散模型，该模型与区间的分段线性映射有关。我们通过 Perron-Frobenius 方程的近似解来研究不变测度中有幂律尾的可能性，并讨论了它与广义 Lyapunov 指数的关系L(q)，然后我们考虑开放映射的情况，其中轨迹逃逸，并证明稳定的幂律分布发生时L(q)=r，就是逃跑率。提出的系统是耦合有源混沌腔或激光网络的一个玩具模型，并允许在一个简单的数学框架中阐明观察 Lévy 统计区域和混沌间歇性的条件。
心理物理学:
两个耦合的正方形脉冲神经元
在临界状态下具有巨大的动态范围
原文标题：
Physics of Psychophysics: two coupled square lattices of spiking neurons have huge dynamic range at criticality
地址：
http://arxiv.org/abs/2006.11254
作者:
Emilio F. Galera,Osame Kinouchi
Abstract：Psychophysics try to relate physical input magnitudes to psychological or neural correlates. Microscopic models to account for macroscopic psychophysical laws, in the sense of statistical physics, are an almost unexplored area. Here we examine a sensory epithelium composed of two connected square lattices of stochastic integrate-and-fire cells. With one square lattice we obtain a Stevens's law
摘要：心理物理学试图将物理输入量与心理或神经相关联。用微观模型来解释宏观的心理物理定律，在统计物理学的意义上，是一个几乎未被探索的领域。在这里，我们检查一个感觉上皮组成的两个连接的方格随机积分和火细胞。对于一个正方形点阵，我们得到了一个斯蒂文斯定律
近不可压缩性角膜弹性横观各向同性:
声学微切削 OCE 模型与实验
原文标题：
Nearly-incompressible transverse isotropy (NITI) of cornea elasticity: model and experiments with acoustic micro-tapping OCE
地址：
https://arxiv.org/abs/2006.10893
作者:
John J Pitre Jr,Mitchell A Kirby,David S Li,Tueng T Shen,Ruikang K Wang,Matthew O'Donnell,Ivan Pelivanov
Abstract：The cornea provides the largest refractive power for the human visual system. Its stiffness, along with intraocular pressure (IOP), are linked to several pathologies, including keratoconus and glaucoma. Although mechanical tests can quantify corneal elasticity ex vivo, they cannot be used clinically. Optical coherence elastography (OCE), which launches and tracks shear waves to estimate stiffness, provides an attractive non-contact probe of corneal elasticity. To date, however, OCE studies report corneal moduli around tens of kPa, orders-of-magnitude less than those (few MPa) obtained by tensile/inflation testing. This large discrepancy impedes OCE's clinical adoption. Based on corneal microstructure, we introduce and fully characterize a nearly-incompressible transversally isotropic (NITI) model depicting corneal biomechanics. We show that the cornea must be described by two shear moduli, contrary to current single-modulus models, decoupling tensile and shear responses. We measure both as a function of IOP in ex vivo porcine cornea, obtaining values consistent with both tensile and shear tests. At pressures above 30 mmHg, the model begins to fail, consistent with non-linear changes in cornea at high IOP.
摘要：角膜为人类的视觉系统提供最大的屈光力。它的僵硬，伴随着眼压，与几种疾病有关，包括圆锥角膜和青光眼。机械性角膜弹性试验虽然可以量化体外角膜弹性，但不适用于临床。光学相干弹性成像(OCE)发射和跟踪剪切波，以估计刚度，提供了一个有吸引力的非接触探头的角膜弹性。然而，到目前为止，OCE 研究报告的角膜模量大约在几十千帕，数量级低于那些(几兆帕)通过拉伸 / 膨胀测试获得的。这种巨大的差异阻碍了 OCE 的临床应用。基于角膜的微观结构，我们介绍并完整描述了一个描述角膜生物力学的近不可压缩横观各向同性(NITI)模型。我们指出，角膜必须用两个剪切模量来描述，这与现有的单模量模型不同，它解耦了角膜的拉伸和剪切响应。我们在离体猪角膜上测量眼压的函数，得到与拉伸和剪切试验一致的数值。压力超过30毫米汞柱时，模型开始失效，这与高眼压时角膜的非线性变化一致。
波前成形多模光纤
单次激发光声荧光微内窥镜
原文标题：
Single-shot hybrid photoacoustic-fluorescent microendoscopy through a multi-mode fiber with wavefront shaping
地址：
http://arxiv.org/abs/2006.10856
作者:
Sylvain Mezil,Antonio M. Caravaca-Aguirre,Edward Z. Zhang,Philippe Moreau,Irène Wang,Paul C. Beard,Emmanuel Bossy
Abstract：We present a minimally-invasive endoscope based on a multimode fiber that combines photoacoustic and fluorescence sensing. From the measurement of a transmission matrix during a prior calibration step, a focused spot is produced and raster-scanned over a sample at the distal tip of the fiber by use of a fast spatial light modulator. An ultra-sensitive fiber-optic ultrasound sensor for photoacoustic detection placed next to the fiber is combined with a photodetector to obtain both fluorescence and photoacoustic images with a distal imaging tip no larger than 250um. The high signal-to-noise ratio provided by wavefront shaping based focusing and the ultra-sensitive ultrasound sensor enables imaging with a single laser shot per pixel, demonstrating fast two-dimensional hybrid imaging of red blood cells and fluorescent beads.
摘要：我们提出了一种基于光声和荧光传感相结合的多模光纤的微创内窥镜。在先前的校准步骤中，通过测量传输矩阵，产生一个聚焦点，并使用快速空间光调制器扫描光纤远端的样品。将放置在光纤旁的用于光声探测的超灵敏光纤超声传感器与光电探测器相结合，获得远端成像尖端不大于250微米的荧光和光声图像。基于波前成形的聚焦和超灵敏超声波传感器提供的高信噪比，使每像素一个激光发射成像成为可能，演示了红细胞和荧光珠的快速二维混合成像。
从大分子中探索配体解离的工作流程:
有效的随机加速分子动力学模拟
和配体轨迹的相互作用指纹分析
原文标题：
A Workflow for Exploring Ligand Dissociation from a Macromolecule: Efficient Random Acceleration Molecular Dynamics Simulation and Interaction Fingerprints Analysis of Ligand Trajectories
地址：
http://arxiv.org/abs/2006.11066
作者:
Daria B. Kokha,Bernd Doser,Stefan Richter,Fabian Ormersbach,Xingyi Cheng,Rebecca C. Wade
Abstract：The dissociation of ligands from proteins and other biomacromolecules occurs over a wide range of timescales. For most pharmaceutically relevant inhibitors, these timescales are far beyond those that are accessible by conventional molecular dynamics (MD) simulation. Consequently, to explore ligand egress mechanisms and compute dissociation rates, it is necessary to enhance the sampling of ligand unbinding. Random Acceleration MD (RAMD) is a simple method to enhance ligand egress from a macromolecular binding site that does not require the user to choose a ligand egress reaction coordinate. It thus enables the unbiased exploration of ligand egress routes. Furthermore, the tauRAMD procedure can be used to compute the relative residence times of ligands. When combined with a machine-learning analysis of protein-ligand interaction fingerprints (IFP), molecular features that affect ligand unbinding kinetics can be identified. Here, we describe the implementation of RAMD in GROMACS 2020, which provides significantly improved computational performance, with scaling to large molecular systems. For the automated analysis of RAMD results, we developed MD-IFP, a set of tools for the generation of IFPs along unbinding trajectories and for their use in the exploration of ligand dynamics. We demonstrate that the analysis of ligand dissociation trajectories by mapping them onto the IFP space enables the characterization of ligand dissociation routes and metastable states. The combined implementation of RAMD and MD-IFP provides a computationally efficient and freely available workflow that can be applied to hundreds of compounds in a reasonable computational time and will facilitate the use of tauRAMD in drug design.
摘要：配体从蛋白质和其他生物大分子中分离出来的时间跨度很大。对于大多数与药物相关的抑制剂，这些时间尺度远远超过常规的分子动力学模拟所能达到的时间尺度。因此，为了探索配体离开机制和计算配体离解率，有必要加强配体非结合取样。随机加速 MD (RAMD)是一种简单的方法，可以增强配体从大分子结合位点的进出，而不需要用户选择配体进出反应坐标。因此，它能够不偏不倚地探索配体的出口路线。此外，还可用 tauRAMD 程序计算配体的相对停留时间。当结合蛋白质-配体相互作用指纹(IFP)的机器学习分析，分子特征影响配体非结合动力学可以被识别。在这里，我们描述了在 GROMACS 2020中 RAMD 的实现，它提供了显著改进的计算性能，并扩展到大分子系统。为了对 RAMD 结果进行自动分析，我们开发了 MD-IFP，这是一套工具，用于沿着非结合轨迹生成 IFPs，并用于研究配体动力学。我们证明，通过将配体分解轨迹映射到 IFP 空间，分析配体分解轨迹，可以得到配体分解路径和亚稳态的角色塑造。Ramd 和 MD-IFP 的联合实施提供了一种计算效率高、可免费获得的工作流程，可以在合理的计算时间内应用于数百种化合物，并将促进在药物设计中使用 tauRAMD。
用光泵激发大分子的非平衡态
原文标题：
Exciting out-of-equilibrium states in macromolecules through light pumping
地址：
http://arxiv.org/abs/2006.11008
作者:
Elham Faraji,Roberto Franzosi,Stefano Mancini,Marco Pettini
Abstract：In the present paper we address the problem of the energy downconversion of the light absorbed by a protein into its internal vibrational modes. We consider the case in which the light receptors are fluorophores either naturally co-expressed with the protein or artificially covalently bound to some of its amino acids. In a recent work [Phys. Rev. X 8, 031061 (2018)], it has been experimentally found that by shining a laser light on the fluorophores attached to a protein the energy fed to it can be channeled into the normal mode of lowest frequency of vibration thus making the subunits of the protein coherently oscillate. Even if the phonon condensation phenomenon has been theoretically explained, the first step - the energy transfer from electronic excitation into phonon excitation - has been left open. The present work is aimed at filling this gap.
摘要：在本文中，我们讨论了蛋白质吸收的光能下转换为其内部振动模式的问题。我们考虑的情况下，光受体是荧光团或者自然共同表达的蛋白质或人工共价结合到一些氨基酸。在最近的作品[体育。8,031061(2018)] ，它已经被实验发现，通过用激光照射附着在蛋白质上的荧光团，能量被输送到正常的最低振动频率模式，从而使蛋白质的亚基相干振荡。即使从理论上解释了声子凝聚现象，第一步——从电子激发到声子激发的能量转移——仍然是开放的。目前的工作旨在填补这一空白。
启动推理增加意图，戴上面罩，
以减缓新型冠状病毒肺炎传播
原文标题：
Priming reasoning increases intentions to wear a face covering to slow down COVID-19 transmission
地址：
http://arxiv.org/abs/2006.11273
作者:
Valerio Capraro,Hélène Barcelo
Abstract：Finding mechanisms to promote the use of face masks is fundamental during the second phase of the COVID-19 pandemic response, when shelter-in-place rules are relaxed and some segments of the population are allowed to circulate more freely. Here we report three pre-registered studies (total N = 1,920), using an heterogenous sample of people living in the USA, showing that priming people to "rely on their reasoning" rather than to "rely on their emotions" significantly increases their intentions to wear a face covering. Compared to the baseline, priming reasoning promotes intentions to wear a face covering, whereas priming emotion has no significant effect. These findings have theoretical and practical implications. Practically, they offer a simple and scalable intervention to promote intentions to wear a face mask. Theoretically, they shed light on the cognitive basis of intentions to wear a face covering.
摘要：在新型冠状病毒肺炎卫生组织大流行病应对的第二阶段，寻找促进口罩使用的机制是至关重要的，届时原地避难的规定将放宽，一些人口群体将被允许更自由地流动。在这里，我们报告了三个预先注册的研究(总数 n = 1920) ，使用了一个生活在美国的异质样本，显示启动人们“依靠他们的推理”而不是“依靠他们的情绪”显著地增加了他们的意图戴面罩。与基线相比，启动推理促进意向戴面罩，而启动情绪对意向戴面罩没有显著影响。这些发现具有理论和实践意义。实际上，他们提供了一个简单和可扩展的干预措施来促进戴口罩的意图。从理论上讲，他们揭示了戴面罩意图的认知基础。
遗传程序访问计划解决方案
可以减少严峻的新型冠状病毒
肺炎流感大流行的人口禁闭
原文标题：
Genetic Programming visitation scheduling solution can deliver a less austere COVID-19 pandemic population lockdown
地址：
http://arxiv.org/abs/2006.10748
作者:
Daniel Howard
Abstract：A computational methodology is introduced to minimize infection opportunities for people suffering some degree of lockdown in response to a pandemic, as is the 2020 COVID-19 pandemic. Persons use their mobile phone or computational device to request trips to places of their need or interest indicating a rough time of day: `morning', `afternoon', `night' or `any time' when they would like to undertake these outings as well as the desired place to visit. An artificial intelligence methodology which is a variant of Genetic Programming studies all requests and responds with specific time allocations for such visits that minimize the overall risks of infection, hospitalization and death of people. A number of alternatives for this computation are presented and results of numerical experiments involving over 230 people of various ages and background health levels in over 1700 visits that take place over three consecutive days. A novel partial infection model is introduced to discuss these proof of concept solutions which are compared to round robin uninformed time scheduling for visits to places. The computations indicate vast improvements with far fewer dead and hospitalized. These auger well for a more realistic study using accurate infection models with the view to test deployment in the real world. The input that drives the infection model is the degree of infection by taxonomic class, such as the information that may arise from population testing for COVID-19 or, alternatively, any contamination model. The taxonomy class assumed in the computations is the likely level of infection by age group.
摘要：引入了一种计算方法，以减少人们在应对大流行时遭受某种程度的封锁的感染机会，正如2020年新型冠状病毒肺炎大流行一样。人们使用移动电话或计算机设备要求前往他们需要或感兴趣的地方，表明一天中的艰苦时间: ”上午”、”下午”、”夜间”或”任何时间” ，当他们想要进行这些外出活动时，以及他们想要去的地方。人工智能方法是遗传规划的一种变体，它研究所有请求，并对这种访问作出具体时间分配，从而最大限度地减少人们感染、住院和死亡的总体风险。本文介绍了这一计算的若干备选方案，并介绍了连续三天超过1700次访问中涉及不同年龄和背景健康水平的230多人的数字实验结果。引入一个新的部分感染模型来讨论这些概念验证解决方案，并将其与访问地点的循环无消息时间安排进行比较。计算结果表明，随着死亡人数和住院人数的大幅减少，情况有了巨大的改善。这些螺旋井为一个更现实的研究使用准确的感染模型，以测试部署在现实世界的看法。驱动感染模型的输入是按分类等级划分的感染程度，例如可能产生于新型冠状病毒肺炎或任何污染模型的种群测试的信息。计算中假定的分类类别是按年龄组分列的可能感染程度。
使用概率细胞自动机研究
计算模型新型冠状病毒肺炎流行病
原文标题：
Computational model on COVID-19 Pandemic using Probabilistic Cellular Automata
地址：
http://arxiv.org/abs/2006.11270
作者:
Sayantari Ghosh,Saumik Bhattacharya
Abstract：Coronavirus disease (COVID-19) which is caused by SARS-COV2 has become a pandemic. This disease is highly infectious and potentially fatal, causing a global public health concern. To contain the spread of COVID-19, governments are adopting nationwide interventions, like lockdown, containment and quarantine, restrictions on travel, cancelling social events and extensive testing. To understand the effects of these measures on the control of the epidemic in a data-driven manner, we propose a probabilistic cellular automata (PCA) based modified SEIQR model. The transitions associated with the model is driven by data available on chronology, symptoms, pathogenesis and transmissivity of the virus. By arguing that the lattice-based model captures the features of the dynamics along with the existing fluctuations, we perform rigorous computational analyses of the model to take into account of the spatial dynamics of social distancing measures imposed on the people. Considering the probabilistic behavioural aspects associated with mitigation strategies, we study the model considering factors like population density and testing efficiency. Using the model, we focus on the variability of epidemic dynamics data for different countries and point out the reasons behind these contrasting observations. To the best of our knowledge, this is the first attempt to model COVID-19 spread using PCA that gives us both spatial and temporal variations of the infection spread with the insight about the contributions of different infection parameters.
摘要：由 SARS-COV2引起的冠状病毒病(新型冠状病毒肺炎)已经成为一种流行病。这种疾病具有高度传染性，可能致命，引起全球公共卫生关注。为了遏制新型冠状病毒肺炎的蔓延，各国政府正在采取全国性的干预措施，如封锁、隔离和隔离、限制旅行、取消社会活动和广泛的检测。为了以数据驱动的方式理解这些措施对流行病控制的影响，我们提出了一种基于概率元胞自动机(PCA)的改进 SEIQR 模型。与该模型相关的转变是由关于病毒的年代学、症状、发病机制和传播率的数据驱动的。通过论证基于格子的模型捕获了动力学的特征以及存在的波动，我们对模型进行了严格的计算分析，以考虑强加在人们身上的社会距离措施的空间动力学。考虑到与减灾策略相关的概率行为方面，我们研究了考虑种群密度和测试效率等因素的模型。利用该模型，我们重点关注不同国家的流行病动态数据的可变性，并指出这些对比观察背后的原因。据我们所知，这是第一次尝试使用 PCA 模型来模拟新型冠状病毒肺炎传播，该模型通过洞察不同感染参数的作用，为我们提供了感染传播的时空变化p。
几何，推理，复杂性和民主
原文标题：
Geometry, Inference, Complexity, and Democracy
地址：
http://arxiv.org/abs/2006.10879
作者:
Jordan S. Ellenberg
Abstract：Decisions about how the population of the United States should be divided into legislative districts have powerful and not fully understood effects on the outcomes of elections. The problem of understanding what we might mean by "fair districting" intertwines mathematical, political, and legal reasoning; but only in recent years has the academic mathematical community gotten directly involved in the process. I'll report on recent progress in this area, how newly developed mathematical tools have affected real political decisions, and what remains to be done. This survey represents the content of a lecture presented by the author in the Current Events Bulletin session of the Joint Mathematics Meetings in January 2020.
摘要：关于如何将美国人口划分为立法区的决定对选举结果产生了强大而又未被充分理解的影响。理解我们所说的“公平分区”是什么意思的问题将数学、政治和法律推理联系在一起; 但是直到最近几年，学术数学界才直接参与到这个过程中来。我将报告这一领域的最新进展，新开发的数学工具如何影响真正的政治决策，以及还需要做什么。本调查是作者在2020年1月数学联席会议的时事简报会上发表的一次演讲的内容。
在流行期间计算风险增量以做出决策
原文标题：
Counting Risk Increments to Make Decisions During an Epidemic
地址：
https://arxiv.org/abs/2006.11244
作者:
Lucien Hardy
Abstract：I propose a smartphone app that will allow people to participate in the management of their own safety during an epidemic or pandemic such as COVID-19 by enabling them to view, in advance, the risks they would take if they visit some given venue (a cafe, the gym, the workplace, the park,...) and, furthermore, track the accumulation of such risks during the course of any given day or week. This idea can be presented to users of the app as counting points. One point represents some constant probability,
摘要：我提出了一个智能手机应用程序，它可以让人们在流行病或大流行病期间参与自身安全管理，比如新型冠状病毒肺炎病毒 / 艾滋病，让他们事先了解到，如果他们去某个特定的地点(咖啡馆、健身房、工作场所、公园... ...) ，他们可能会承担的风险，而且，还可以跟踪这些风险在任何一天或一周中的累积情况。这个想法可以作为计数点呈现给应用程序的用户。一个点代表某个恒定的概率,
社会信任网络中的意见最大化
原文标题：
Opinion Maximization in Social Trust Networks
地址：
http://arxiv.org/abs/2006.10961
作者:
Pinghua Xu,Wenbin Hu,Jia Wu,Weiwei Liu
Abstract：Social media sites are now becoming very important platforms for product promotion or marketing campaigns. Therefore, there is broad interest in determining ways to guide a site to react more positively to a product with a limited budget. However, the practical significance of the existing studies on this subject is limited for two reasons. First, most studies have investigated the issue in oversimplified networks in which several important network characteristics are ignored. Second, the opinions of individuals are modeled as bipartite states(e.g., support or not) in numerous studies, however, this setting is too strict for many real scenarios. In this study, we focus on social trust networks(STNs), which have the significant characteristics ignored in the previous studies. We generalized a famed continuous-valued opinion dynamics model for STNs, which is more consistent with real scenarios. We subsequently formalized two novel problems for solving the issue in STNs. Moreover, we developed two matrix-based methods for these two problems and experiments on real-world datasets to demonstrate the practical utility of our methods.
摘要：社交媒体网站现在正成为产品推广或营销活动的重要平台。因此，有广泛的兴趣，确定如何指导网站反应更积极的产品与有限的预算。然而，由于两个方面的原因，现有研究的现实意义有限。首先，大多数研究都是在过分简化的网络中进行研究，忽略了一些重要的网络特征。其次，在许多研究中，个人的意见被建模为两部分的状态(例如，支持与否) ，然而，这种设置对于许多真实的场景来说过于严格。本研究以社会信任网络为研究对象，以往的研究忽略了其重要特征。我们推广了一个著名的连续值观点动力学模型，该模型更符合实际场景。随后，我们将两个新问题正式化，以解决在 stn 中的问题。此外，我们还针对这两个问题开发了两种基于矩阵的方法，并在实际数据集上进行了实验，以证明我们的方法的实用性。
用光电子发射能谱
测量共振非弹性 x 射线散射:
计算研究
原文标题：
Using photoelectron spectroscopy to measure resonant inelastic X-ray scattering: A computational investigation
地址：
http://arxiv.org/abs/2006.10914
作者:
Daniel J. Higley,Hirohito Ogasawara,Sioan Zohar,Georgi L. Dakovski
Abstract：Resonant inelastic X-ray scattering (RIXS) has become an important scientific tool. Nonetheless, conventional high-resolution RIXS measurements (<100 meV), especially in the soft x-ray range, require large and low-throughput grating spectrometers that limits measurement accuracy and simplicity. Here, we computationally investigate the performance of a different method for measuring RIXS, Photoelectron Spectrometry for Analysis of X-rays (PAX). This method transforms the X-ray measurement problem of RIXS to an electron measurement problem, enabling use of compact, high-throughput electron spectrometers. In PAX, X-rays to be measured are incident on a converter material and the energy distribution of the resultant photoelectrons, the PAX spectrum, is measured with an electron spectrometer. The incident X-ray spectrum is then estimated through a deconvolution algorithm that leverages concepts from machine learning. We investigate a few example PAX cases. Using the 3d levels of Ag as a converter material, and with 10
摘要：共振非弹性 x 射线散射(RIXS)已成为一种重要的科学工具。然而，传统的高分辨率 RIXS 测量(< 100mev) ，特别是在软 x 射线范围内，需要大型低通量光栅光谱仪，这限制了测量精度和简单性。在这里，我们计算调查的性能不同的方法测量 RIXS，光电子能谱分析的 x 射线(PAX)。这种方法将 RIXS 的 x 射线测量问题转化为电子测量问题，使得能够使用小型、高通量的电子光谱仪。在 PAX 中，要测量的 x 射线入射到一个转换器材料上，由此产生的光电子的能量分布，即 PAX 光谱，用电子光谱仪测量。然后，利用机器学习的概念，通过解卷积算法估计入射 x 射线光谱。我们调查了几个例子 PAX 案件。采用3 d 级 Ag 作为转化器材料，用10
来源：集智斑图 编辑：王建萍
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