氢化镁（MGH $ _2 $）已被广泛研究有效储氢。然而，其散装解吸温度（553 k）被认为是实际应用的太高。除了掺杂外，可以降低这种用于释放氢的这种反应能量的策略是使用MGH $ _2 $基本的纳米颗粒（NPS）。在这里，我们首先调查Mg $ _N $ H $ _ {2n} $ NPS（$ N <10 $）的热力学特性，特别是通过评估对焓，熵和热膨胀的anharmonic影响随机自我一致的谐波近似（SSCHA）。后一种方法超出了先前的方法，通常基于分子力学和准谐波近似，允许AB初始自由能量计算。我们发现了几乎线性依赖于间隙键长度的温度 - 具有超过300k的相对变化，与Mg-H键的键距离降低。为了将NPS的大小增加到MGH $ _2 $的氢解吸的实验中，我们设计了培训的计算有效的机器学习模型，以准确地确定力量和总能量（即潜在能量表面），与SSCHA模型集成了后者完全包括anharmonic效应。我们发现亚纳米簇Mg $ _n $ h $ _ {2n} $以$ n \ leq 10 $的显着减少，但不可忽视，虽然因anharmonicities（最多） 10％）。

自动生物医学图像分析的领域至关重要地取决于算法验证的可靠和有意义的性能指标。但是，当前的度量使用通常是不明智的，并且不能反映基本的域名。在这里，我们提出了一个全面的框架，该框架指导研究人员以问题意识的方式选择绩效指标。具体而言，我们专注于生物医学图像分析问题，这些问题可以解释为图像，对象或像素级别的分类任务。该框架首先编译域兴趣 - 目标结构 - ，数据集和算法与输出问题相关的属性的属性与问题指纹相关，同时还将其映射到适当的问题类别，即图像级分类，语义分段，实例，实例细分或对象检测。然后，它指导用户选择和应用一组适当的验证指标的过程，同时使他们意识到与个人选择相关的潜在陷阱。在本文中，我们描述了指标重新加载推荐框架的当前状态，目的是从图像分析社区获得建设性的反馈。当前版本是在由60多个图像分析专家的国际联盟中开发的，将在社区驱动的优化之后公开作为用户友好的工具包提供。

域适应（DA）最近在医学影像社区提出了强烈的兴趣。虽然已经提出了大量DA技术进行了用于图像分割，但大多数这些技术已经在私有数据集或小公共可用数据集上验证。此外，这些数据集主要解决了单级问题。为了解决这些限制，与第24届医学图像计算和计算机辅助干预（Miccai 2021）结合第24届国际会议组织交叉模态域适应（Crossmoda）挑战。 Crossmoda是无监督跨型号DA的第一个大型和多级基准。挑战的目标是分割参与前庭施瓦新瘤（VS）的后续和治疗规划的两个关键脑结构：VS和Cochleas。目前，使用对比度增强的T1（CET1）MRI进行VS患者的诊断和监测。然而，使用诸如高分辨率T2（HRT2）MRI的非对比度序列越来越感兴趣。因此，我们创建了一个无人监督的跨模型分段基准。训练集提供注释CET1（n = 105）和未配对的非注释的HRT2（n = 105）。目的是在测试集中提供的HRT2上自动对HRT2进行单侧VS和双侧耳蜗分割（n = 137）。共有16支球队提交了评估阶段的算法。顶级履行团队达成的表现水平非常高（最佳中位数骰子 - vs：88.4％; Cochleas：85.7％）并接近完全监督（中位数骰子 - vs：92.5％;耳蜗：87.7％）。所有顶级执行方法都使用图像到图像转换方法将源域图像转换为伪目标域图像。然后使用这些生成的图像和为源图像提供的手动注释进行培训分割网络。

尽管自动图像分析的重要性不断增加，但最近的元研究揭示了有关算法验证的主要缺陷。性能指标对于使用的自动算法的有意义，客观和透明的性能评估和验证尤其是关键，但是在使用特定的指标进行给定的图像分析任务时，对实际陷阱的关注相对较少。这些通常与（1）无视固有的度量属性，例如在存在类不平衡或小目标结构的情况下的行为，（2）无视固有的数据集属性，例如测试的非独立性案例和（3）无视指标应反映的实际生物医学领域的兴趣。该动态文档的目的是说明图像分析领域通常应用的性能指标的重要局限性。在这种情况下，它重点介绍了可以用作图像级分类，语义分割，实例分割或对象检测任务的生物医学图像分析问题。当前版本是基于由全球60多家机构的国际图像分析专家进行的关于指标的Delphi流程。

Data-driven Machine Learning has emerged as a promising approach for building accurate and robust statistical models from medical data, which is collected in huge volumes by modern healthcare systems. Existing medical data is not fully exploited by ML primarily because it sits in data silos and privacy concerns restrict access to this data. However, without access to sufficient data, ML will be prevented from reaching its full potential and, ultimately, from making the transition from research to clinical practice. This paper considers key factors contributing to this issue, explores how Federated Learning (FL) may provide a solution for the future of digital health and highlights the challenges and considerations that need to * Disclaimer: The opinions expressed herein are those of the authors and do not necessarily represent those of the institutions they are affiliated with, e.g. the U.S. Department of Health and Human Services or the National Institutes of Health. This is a pre-print version of https://www.nature.com/articles/s41746-020-00323-1 be addressed.

Pennylane是用于量子计算机可区分编程的Python 3软件框架。该库为近期量子计算设备提供了统一的体系结构，支持量子和连续变化的范例。 Pennylane的核心特征是能够以与经典技术（例如反向传播）兼容的方式来计算变异量子电路的梯度。因此，Pennylane扩展了在优化和机器学习中常见的自动分化算法，以包括量子和混合计算。插件系统使该框架与任何基于门的量子模拟器或硬件兼容。我们为硬件提供商提供插件，包括Xanadu Cloud，Amazon Braket和IBM Quantum，允许Pennylane优化在公开访问的量子设备上运行。在古典方面，Pennylane与加速的机器学习库（例如Tensorflow，Pytorch，Jax和Autograd）接口。 Pennylane可用于优化变分的量子本素体，量子近似优化，量子机学习模型和许多其他应用。

变异自动编码器（VAE）是最常用的无监督机器学习模型之一。但是，尽管对先前和后验的高斯分布的默认选择通常代表了数学方便的分布通常会导致竞争结果，但我们表明该参数化无法用潜在的超球体结构对数据进行建模。为了解决这个问题，我们建议使用von Mises-fisher（VMF）分布，从而导致超级潜在空间。通过一系列实验，我们展示了这种超球vae或$ \ mathcal {s} $ - vae如何更适合于用超球形结构捕获数据，同时胜过正常的，$ \ mathcal {n} $ - vae-，在其他数据类型的低维度中。http://github.com/nicola-decao/s-vae-tf和https://github.com/nicola-decao/nicola-decao/s-vae-pytorch

The recent increase in public and academic interest in preserving biodiversity has led to the growth of the field of conservation technology. This field involves designing and constructing tools that utilize technology to aid in the conservation of wildlife. In this article, we will use case studies to demonstrate the importance of designing conservation tools with human-wildlife interaction in mind and provide a framework for creating successful tools. These case studies include a range of complexities, from simple cat collars to machine learning and game theory methodologies. Our goal is to introduce and inform current and future researchers in the field of conservation technology and provide references for educating the next generation of conservation technologists. Conservation technology not only has the potential to benefit biodiversity but also has broader impacts on fields such as sustainability and environmental protection. By using innovative technologies to address conservation challenges, we can find more effective and efficient solutions to protect and preserve our planet's resources.

We present the interpretable meta neural ordinary differential equation (iMODE) method to rapidly learn generalizable (i.e., not parameter-specific) dynamics from trajectories of multiple dynamical systems that vary in their physical parameters. The iMODE method learns meta-knowledge, the functional variations of the force field of dynamical system instances without knowing the physical parameters, by adopting a bi-level optimization framework: an outer level capturing the common force field form among studied dynamical system instances and an inner level adapting to individual system instances. A priori physical knowledge can be conveniently embedded in the neural network architecture as inductive bias, such as conservative force field and Euclidean symmetry. With the learned meta-knowledge, iMODE can model an unseen system within seconds, and inversely reveal knowledge on the physical parameters of a system, or as a Neural Gauge to "measure" the physical parameters of an unseen system with observed trajectories. We test the validity of the iMODE method on bistable, double pendulum, Van der Pol, Slinky, and reaction-diffusion systems.

While the brain connectivity network can inform the understanding and diagnosis of developmental dyslexia, its cause-effect relationships have not yet enough been examined. Employing electroencephalography signals and band-limited white noise stimulus at 4.8 Hz (prosodic-syllabic frequency), we measure the phase Granger causalities among channels to identify differences between dyslexic learners and controls, thereby proposing a method to calculate directional connectivity. As causal relationships run in both directions, we explore three scenarios, namely channels' activity as sources, as sinks, and in total. Our proposed method can be used for both classification and exploratory analysis. In all scenarios, we find confirmation of the established right-lateralized Theta sampling network anomaly, in line with the temporal sampling framework's assumption of oscillatory differences in the Theta and Gamma bands. Further, we show that this anomaly primarily occurs in the causal relationships of channels acting as sinks, where it is significantly more pronounced than when only total activity is observed. In the sink scenario, our classifier obtains 0.84 and 0.88 accuracy and 0.87 and 0.93 AUC for the Theta and Gamma bands, respectively.