建筑物的智能和连续调试（SCCX）可能会大大减少设计和运营性能之间的差距。本体论在SCCX中起着重要作用，因为它们促进了机器的数据可读性和推理。为了将其开发和纳入SCCX，需要更好地了解本体。本文批判性地回顾了自2014年以来自2014年以来在SCCX域内建立数据本体的最新研究，通过基于建筑数据类型，一般方法和应用程序对它们进行排序。在大多数现有本体论中，已经考虑了建筑信息建模和建筑管理系统的两个主要领域的数据类型。从现有本体论的批判分析中可以明显看出三个主要应用：（1）关键绩效指标计算，（2）建筑物绩效的改善以及（3）故障检测和诊断。文献综述中发现的关键差距是SCCX的整体本体，并了解应如何评估这种方法。基于这些发现，本研究为未来的必要研究提供了建议，包括：与SCCX相关的数据类型的识别，本体学绩效评估以及创建开源方法。

The number of international benchmarking competitions is steadily increasing in various fields of machine learning (ML) research and practice. So far, however, little is known about the common practice as well as bottlenecks faced by the community in tackling the research questions posed. To shed light on the status quo of algorithm development in the specific field of biomedical imaging analysis, we designed an international survey that was issued to all participants of challenges conducted in conjunction with the IEEE ISBI 2021 and MICCAI 2021 conferences (80 competitions in total). The survey covered participants' expertise and working environments, their chosen strategies, as well as algorithm characteristics. A median of 72% challenge participants took part in the survey. According to our results, knowledge exchange was the primary incentive (70%) for participation, while the reception of prize money played only a minor role (16%). While a median of 80 working hours was spent on method development, a large portion of participants stated that they did not have enough time for method development (32%). 25% perceived the infrastructure to be a bottleneck. Overall, 94% of all solutions were deep learning-based. Of these, 84% were based on standard architectures. 43% of the respondents reported that the data samples (e.g., images) were too large to be processed at once. This was most commonly addressed by patch-based training (69%), downsampling (37%), and solving 3D analysis tasks as a series of 2D tasks. K-fold cross-validation on the training set was performed by only 37% of the participants and only 50% of the participants performed ensembling based on multiple identical models (61%) or heterogeneous models (39%). 48% of the respondents applied postprocessing steps.

Polypharmacy, most often defined as the simultaneous consumption of five or more drugs at once, is a prevalent phenomenon in the older population. Some of these polypharmacies, deemed inappropriate, may be associated with adverse health outcomes such as death or hospitalization. Considering the combinatorial nature of the problem as well as the size of claims database and the cost to compute an exact association measure for a given drug combination, it is impossible to investigate every possible combination of drugs. Therefore, we propose to optimize the search for potentially inappropriate polypharmacies (PIPs). To this end, we propose the OptimNeuralTS strategy, based on Neural Thompson Sampling and differential evolution, to efficiently mine claims datasets and build a predictive model of the association between drug combinations and health outcomes. We benchmark our method using two datasets generated by an internally developed simulator of polypharmacy data containing 500 drugs and 100 000 distinct combinations. Empirically, our method can detect up to 33\% of PIPs while maintaining an average precision score of 99\% using 10 000 time steps.

Causal disentanglement seeks a representation of data involving latent variables that relate to one another via a causal model. A representation is identifiable if both the latent model and the transformation from latent to observed variables are unique. In this paper, we study observed variables that are a linear transformation of a linear latent causal model. Data from interventions are necessary for identifiability: if one latent variable is missing an intervention, we show that there exist distinct models that cannot be distinguished. Conversely, we show that a single intervention on each latent variable is sufficient for identifiability. Our proof uses a generalization of the RQ decomposition of a matrix that replaces the usual orthogonal and upper triangular conditions with analogues depending on a partial order on the rows of the matrix, with partial order determined by a latent causal model. We corroborate our theoretical results with a method for causal disentanglement that accurately recovers a latent causal model.

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.

平行操纵器的配置歧管比串行操纵器表现出更多的非线性。从定性上讲，它们可以看到额外的褶皱。通过将这种歧管投射到工程相关性的空间上，例如输出工作区或输入执行器空间，这些折叠式的边缘呈现出表现非滑动行为的边缘。例如，在五杆链接的全局工作空间边界内显示了几个局部工作空间边界，这些边界仅限于该机制的某些输出模式。当专门研究这些投影而不是配置歧管本身时，这种边界的存在在输入和输出投影中都表现出来。特别是，非对称平行操纵器的设计已被其输入和输出空间中的外来投影所困扰。在本文中，我们用半径图表示配置空间，然后通过使用同型延续来量化传输质量来解决每个边缘。然后，我们采用图路径计划器来近似于避免传输质量区域的配置点之间的大地测量。我们的方法会自动生成能够在非邻居输出模式之间过渡的路径，该运动涉及示波多个工作空间边界（局部，全局或两者）。我们将技术应用于两个非对称五杆示例，这些示例表明如何通过切换输出模式来选择工作空间的传输属性和其他特征。

跨学科的一个重要问题是发现产生预期结果的干预措施。当可能的干预空间很大时，需要进行详尽的搜索，需要实验设计策略。在这种情况下，编码变量之间的因果关系以及因此对系统的影响，对于有效地确定理想的干预措施至关重要。我们开发了一种迭代因果方法来识别最佳干预措施，这是通过分布后平均值和所需目标平均值之间的差异来衡量的。我们制定了一种主动学习策略，该策略使用从不同干预措施中获得的样本来更新有关基本因果模型的信念，并确定对最佳干预措施最有用的样本，因此应在下一批中获得。该方法采用了因果模型的贝叶斯更新，并使用精心设计的，有因果关系的收购功能优先考虑干预措施。此采集函数以封闭形式进行评估，从而有效优化。理论上以信息理论界限和可证明的一致性结果在理论上基于理论上的算法。我们说明了综合数据和现实世界生物学数据的方法，即来自worturb-cite-seq实验的基因表达数据，以识别诱导特定细胞态过渡的最佳扰动；与几个基线相比，观察到所提出的因果方法可实现更好的样品效率。在这两种情况下，我们都认为因果知情的采集函数尤其优于现有标准，从而允许使用实验明显更少的最佳干预设计。

由多种因素引起的组织学图像的染色变化不仅是病理学家的视觉诊断，而且是细胞分割算法的挑战。为了消除颜色变化，已经提出了许多染色归一化方法。但是，大多数是为苏木精和曙红染色图像而设计的，并且在免疫组织化学染色图像上表现不佳。当前的细胞分割方法系统地将染色归一化作为预处理步骤，但是尚未定量研究颜色变化带来的影响。在本文中，我们制作了五组具有不同颜色的Neun染色图像。我们应用了一种深度学习的图像录制方法来在组织学图像组之间执行色彩转移。最后，我们改变了分割集的颜色，并量化了颜色变化对细胞分割的影响。结果证明了在后续分析之前必须进行颜色归一化的必要性。

在嘈杂和致密的荧光显微镜数据中跟踪胚胎的所有核是一项具有挑战性的任务。我们建立在最新的核跟踪方法的基础上，该方法结合了弱监督的学习，从一小部分核中心点注释与整数线性程序（ILP）结合了最佳的细胞谱系提取。我们的工作专门解决了秀丽隐杆线虫胚胎记录的以下具有挑战性的特性：（1）与其他生物的基准记录相比，许多细胞分裂以及（2）很容易被误认为是细胞核的极性体。为了应付（1），我们设计并纳入了学习的细胞分裂检测器。为了应付（2），我们采用了学到的极性身体探测器。我们进一步提出了通过结构化的SVM调整自动化的ILP权重，从而减轻了对各自的网格搜索进行乏味的手动设置的需求。我们的方法的表现优于Fluo-N3DH-CE胚胎数据集上细胞跟踪挑战的先前领导者。我们报告了另外两个秀丽隐杆线虫数据集的进一步广泛的定量评估。我们将公开这些数据集作为未来方法开发的扩展基准。我们的结果表明，我们的方法产生了可观的改进，尤其是在分区事件检测的正确性以及完全正确的轨道段的数量和长度方面。代码：https：//github.com/funkelab/linajea

人为决策的合作努力实现超出人类或人工智能表现的团队绩效。但是，许多因素都会影响人类团队的成功，包括用户的领域专业知识，AI系统的心理模型，对建议的信任等等。这项工作检查了用户与三种模拟算法模型的互动，所有这些模型都具有相似的精度，但对其真正的正面和真实负率进行了不同的调整。我们的研究检查了在非平凡的血管标签任务中的用户性能，参与者表明给定的血管是流动还是停滞。我们的结果表明，虽然AI-Assistant的建议可以帮助用户决策，但用户相对于AI的基线性能和AI错误类型的补充调整等因素会显着影响整体团队的整体绩效。新手用户有所改善，但不能达到AI的准确性。高度熟练的用户通常能够识别何时应遵循AI建议，并通常保持或提高其性能。与AI相似的准确性水平的表演者在AI建议方面是最大的变化。此外，我们发现用户对AI的性能亲戚的看法也对给出AI建议时的准确性是否有所提高产生重大影响。这项工作提供了有关与人类协作有关的因素的复杂性的见解，并提供了有关如何开发以人为中心的AI算法来补充用户在决策任务中的建议。