Although prediction models for delirium, a commonly occurring condition during general hospitalization or post-surgery, have not gained huge popularity, their algorithmic bias evaluation is crucial due to the existing association between social determinants of health and delirium risk. In this context, using MIMIC-III and another academic hospital dataset, we present some initial experimental evidence showing how sociodemographic features such as sex and race can impact the model performance across subgroups. With this work, our intent is to initiate a discussion about the intersectionality effects of old age, race and socioeconomic factors on the early-stage detection and prevention of delirium using ML.

A new method for solving the wave equation is presented, called the learned Born series (LBS), which is derived from a convergent Born Series but its components are found through training. The LBS is shown to be significantly more accurate than the convergent Born series for the same number of iterations, in the presence of high contrast scatterers, while maintaining a comparable computational complexity. The LBS is able to generate a reasonable prediction of the global pressure field with a small number of iterations, and the errors decrease with the number of learned iterations.

Actively monitoring machine learning models during production operations helps ensure prediction quality and detection and remediation of unexpected or undesired conditions. Monitoring models already deployed in big data environments brings the additional challenges of adding monitoring in parallel to the existing modelling workflow and controlling resource requirements. In this paper, we describe (1) a framework for monitoring machine learning models; and, (2) its implementation for a big data supply chain application. We use our implementation to study drift in model features, predictions, and performance on three real data sets. We compare hypothesis test and information theoretic approaches to drift detection in features and predictions using the Kolmogorov-Smirnov distance and Bhattacharyya coefficient. Results showed that model performance was stable over the evaluation period. Features and predictions showed statistically significant drifts; however, these drifts were not linked to changes in model performance during the time of our study.

Graph neural networks (GNNs) have received great attention due to their success in various graph-related learning tasks. Several GNN frameworks have then been developed for fast and easy implementation of GNN models. Despite their popularity, they are not well documented, and their implementations and system performance have not been well understood. In particular, unlike the traditional GNNs that are trained based on the entire graph in a full-batch manner, recent GNNs have been developed with different graph sampling techniques for mini-batch training of GNNs on large graphs. While they improve the scalability, their training times still depend on the implementations in the frameworks as sampling and its associated operations can introduce non-negligible overhead and computational cost. In addition, it is unknown how much the frameworks are 'eco-friendly' from a green computing perspective. In this paper, we provide an in-depth study of two mainstream GNN frameworks along with three state-of-the-art GNNs to analyze their performance in terms of runtime and power/energy consumption. We conduct extensive benchmark experiments at several different levels and present detailed analysis results and observations, which could be helpful for further improvement and optimization.

Proteins play a central role in biology from immune recognition to brain activity. While major advances in machine learning have improved our ability to predict protein structure from sequence, determining protein function from structure remains a major challenge. Here, we introduce Holographic Convolutional Neural Network (H-CNN) for proteins, which is a physically motivated machine learning approach to model amino acid preferences in protein structures. H-CNN reflects physical interactions in a protein structure and recapitulates the functional information stored in evolutionary data. H-CNN accurately predicts the impact of mutations on protein function, including stability and binding of protein complexes. Our interpretable computational model for protein structure-function maps could guide design of novel proteins with desired function.

现在，错误和虚假信息已成为我们安全和安全的全球威胁。为了应对在线错误信息的规模，一个可行的解决方案是通过检索和验证相关证据来自动对索赔进行事实检查。尽管在推动自动事实验证方面取得了最新进展，但仍缺乏对可能针对此类系统的攻击向量的全面评估。特别是，自动化事实验证过程可能容易受到其试图打击的确切虚假信息。在这项工作中，我们假设一个对手可以自动使用在线证据擦洗，以通过伪装相关证据或种植误导性的证据来破坏事实检查模型。我们首先提出了探索性分类法，该分类法涵盖了这两个目标和不同的威胁模型维度。在此指导下，我们设计并提出了几种潜在的攻击方法。我们表明，除了产生多样化和索赔一致的证据之外，还可以在证据中巧妙地修改索赔空位段。结果，我们在分类法的许多不同排列中高度降低了事实检查的表现。这些攻击也对索赔后的事后修改也很强大。我们的分析进一步暗示了在面对矛盾的证据时，模型推断的潜在局限性。我们强调，这些攻击可能会对此类模型的可检查和人类使用情况产生有害的影响，我们通过讨论未来防御的挑战和方向来得出结论。

ICECUBE是一种用于检测1 GEV和1 PEV之间大气和天体中微子的光学传感器的立方公斤阵列，该阵列已部署1.45 km至2.45 km的南极的冰盖表面以下1.45 km至2.45 km。来自ICE探测器的事件的分类和重建在ICeCube数据分析中起着核心作用。重建和分类事件是一个挑战，这是由于探测器的几何形状，不均匀的散射和冰中光的吸收，并且低于100 GEV的光，每个事件产生的信号光子数量相对较少。为了应对这一挑战，可以将ICECUBE事件表示为点云图形，并将图形神经网络（GNN）作为分类和重建方法。 GNN能够将中微子事件与宇宙射线背景区分开，对不同的中微子事件类型进行分类，并重建沉积的能量，方向和相互作用顶点。基于仿真，我们提供了1-100 GEV能量范围的比较与当前ICECUBE分析中使用的当前最新最大似然技术，包括已知系统不确定性的影响。对于中微子事件分类，与当前的IceCube方法相比，GNN以固定的假阳性速率（FPR）提高了信号效率的18％。另外，GNN在固定信号效率下将FPR的降低超过8（低于半百分比）。对于能源，方向和相互作用顶点的重建，与当前最大似然技术相比，分辨率平均提高了13％-20％。当在GPU上运行时，GNN能够以几乎是2.7 kHz的中位数ICECUBE触发速率的速率处理ICECUBE事件，这打开了在在线搜索瞬态事件中使用低能量中微子的可能性。

我们介绍了贴片采样时间表（PSS）的概念，该概念在训练过程中每批次使用的视觉变压器（VIT）贴片的数量变化。由于对于大多数视觉目标（例如，分类），所有补丁都不同样重要，因此我们认为，不太重要的补丁可以用于较少的训练迭代中，从而导致较短的训练时间，对性能的影响最小。此外，我们观察到，使用PSS的训练可以使VIT在推理过程中对更宽的贴片采样范围更强。这允许在推理过程中进行吞吐量和准确性之间的细粒度，动态的权衡。我们使用PSSS在VIT上评估Imagenet的VIT，均通过从头开始训练并使用重建损耗函数进行了预训练。对于预训练的模型，与使用所有斑块相比，我们的分类准确性降低了0.26％（从25小时到17小时）降低了0.26％。代码，模型检查点和日志可在https://github.com/bradmcdanel/pss上找到。

机器学习和临床研究社区利用现实世界数据（RWD）的方法，包括电子健康记录中捕获的数据（EHR）截然不同。虽然临床研究人员谨慎使用RWD进行临床研究，但用于医疗团队的ML会消费公共数据集，并以最少的审查来开发新算法。这项研究通过开发和验证ML-DQA来弥合这一差距，ML-DQA是基于RWD最佳实践的数据质量保证框架。 ML-DQA框架适用于两个地理位置的五个ML项目，分别是不同的医疗状况和不同的人群。在这五个项目中，共收集了247,536名患者的RWD，共有2,999项质量检查和24份质量报告。出现了五种可推广的实践：所有项目都使用类似的方法来分组冗余数据元素表示；所有项目都使用自动实用程序来构建诊断和药物数据元素；所有项目都使用了一个共同的基于规则的转换库；所有项目都使用统一的方法将数据质量检查分配给数据元素；所有项目都使用类似的临床裁决方法。包括临床医生，数据科学家和受训者在内的平均有5.8个人参与每个项目实施ML-DQA，每个项目平均进行了23.4个数据元素。这项研究证明了ML-DQA在医疗项目中的重要性作用，并为团队提供了开展这些基本活动的框架。

合成健康数据在共享数据以支持生物医学研究和创新医疗保健应用的发展时有可能减轻隐私问题。基于机器学习，尤其是生成对抗网络（GAN）方法的现代方法生成的现代方法继续发展并表现出巨大的潜力。然而，缺乏系统的评估框架来基准测试方法，并确定哪些方法最合适。在这项工作中，我们引入了一个可推广的基准测试框架，以评估综合健康数据的关键特征在实用性和隐私指标方面。我们将框架应用框架来评估来自两个大型学术医疗中心的电子健康记录（EHRS）数据的合成数据生成方法。结果表明，共享合成EHR数据存在公用事业私人关系权衡。结果进一步表明，在每个用例中，在所有标准上都没有明确的方法是最好的，这使得为什么需要在上下文中评估合成数据生成方法。