特征选择表示降低高维数据集的复杂性的度量，并在数据的系统变化中获得深度洞察。这方面在依赖于模型可解释性的域中具有特异性，例如生命科学。我们提出Ubayfs，一个嵌入在贝叶斯统计框架中的集合特征选择技术。我们的方法考虑了两个信息来源：数据和域知识。我们从基本特征选择器的集合构建一个元模型，并在多项可能性中聚合这些信息。用户通过加权特征和惩罚特定特征块或组合来引导UBayFS，通过Dirichlet-Type和正则化术语实现。在定量评估中，我们证明我们的框架（a）允许用户知识和数据观察之间的平衡权衡，并且（b）通过最先进的方法实现竞争性能。

特征选择是数据科学流水线的重要步骤，以减少与大型数据集相关的复杂性。虽然对本主题的研究侧重于优化预测性能，但很少研究在特征选择过程的上下文中调查稳定性。在这项研究中，我们介绍了重复的弹性网技术（租金）进行特色选择。租金使用具有弹性净正常化的广义线性模型的集合，每个训练都培训了训练数据的不同子集。该特征选择基于三个标准评估所有基本模型的重量分布。这一事实导致选择具有高稳定性的特征，从而提高最终模型的稳健性。此外，与已建立的特征选择器不同，租金提供了有关在训练期间难以预测的数据中难以预测的对象的模型解释的有价值信息。在我们的实验中，我们在八个多变量数据集中对六个已建立的特征选择器进行基准测试，用于二进制分类和回归。在实验比较中，租金在预测性能和稳定之间展示了均衡的权衡。最后，我们强调了租金的额外解释价值与医疗保健数据集的探索性后HOC分析。

Diversity Searcher is a tool originally developed to help analyse diversity in news media texts. It relies on a form of automated content analysis and thus rests on prior assumptions and depends on certain design choices related to diversity and fairness. One such design choice is the external knowledge source(s) used. In this article, we discuss implications that these sources can have on the results of content analysis. We compare two data sources that Diversity Searcher has worked with - DBpedia and Wikidata - with respect to their ontological coverage and diversity, and describe implications for the resulting analyses of text corpora. We describe a case study of the relative over- or under-representation of Belgian political parties between 1990 and 2020 in the English-language DBpedia, the Dutch-language DBpedia, and Wikidata, and highlight the many decisions needed with regard to the design of this data analysis and the assumptions behind it, as well as implications from the results. In particular, we came across a staggering over-representation of the political right in the English-language DBpedia.

Artificial intelligence(AI) systems based on deep neural networks (DNNs) and machine learning (ML) algorithms are increasingly used to solve critical problems in bioinformatics, biomedical informatics, and precision medicine. However, complex DNN or ML models that are unavoidably opaque and perceived as black-box methods, may not be able to explain why and how they make certain decisions. Such black-box models are difficult to comprehend not only for targeted users and decision-makers but also for AI developers. Besides, in sensitive areas like healthcare, explainability and accountability are not only desirable properties of AI but also legal requirements -- especially when AI may have significant impacts on human lives. Explainable artificial intelligence (XAI) is an emerging field that aims to mitigate the opaqueness of black-box models and make it possible to interpret how AI systems make their decisions with transparency. An interpretable ML model can explain how it makes predictions and which factors affect the model's outcomes. The majority of state-of-the-art interpretable ML methods have been developed in a domain-agnostic way and originate from computer vision, automated reasoning, or even statistics. Many of these methods cannot be directly applied to bioinformatics problems, without prior customization, extension, and domain adoption. In this paper, we discuss the importance of explainability with a focus on bioinformatics. We analyse and comprehensively overview of model-specific and model-agnostic interpretable ML methods and tools. Via several case studies covering bioimaging, cancer genomics, and biomedical text mining, we show how bioinformatics research could benefit from XAI methods and how they could help improve decision fairness.

Kernel machines have sustained continuous progress in the field of quantum chemistry. In particular, they have proven to be successful in the low-data regime of force field reconstruction. This is because many physical invariances and symmetries can be incorporated into the kernel function to compensate for much larger datasets. So far, the scalability of this approach has however been hindered by its cubical runtime in the number of training points. While it is known, that iterative Krylov subspace solvers can overcome these burdens, they crucially rely on effective preconditioners, which are elusive in practice. Practical preconditioners need to be computationally efficient and numerically robust at the same time. Here, we consider the broad class of Nystr\"om-type methods to construct preconditioners based on successively more sophisticated low-rank approximations of the original kernel matrix, each of which provides a different set of computational trade-offs. All considered methods estimate the relevant subspace spanned by the kernel matrix columns using different strategies to identify a representative set of inducing points. Our comprehensive study covers the full spectrum of approaches, starting from naive random sampling to leverage score estimates and incomplete Cholesky factorizations, up to exact SVD decompositions.

We present an automatic method for annotating images of indoor scenes with the CAD models of the objects by relying on RGB-D scans. Through a visual evaluation by 3D experts, we show that our method retrieves annotations that are at least as accurate as manual annotations, and can thus be used as ground truth without the burden of manually annotating 3D data. We do this using an analysis-by-synthesis approach, which compares renderings of the CAD models with the captured scene. We introduce a 'cloning procedure' that identifies objects that have the same geometry, to annotate these objects with the same CAD models. This allows us to obtain complete annotations for the ScanNet dataset and the recent ARKitScenes dataset.

Objective: Imbalances of the electrolyte concentration levels in the body can lead to catastrophic consequences, but accurate and accessible measurements could improve patient outcomes. While blood tests provide accurate measurements, they are invasive and the laboratory analysis can be slow or inaccessible. In contrast, an electrocardiogram (ECG) is a widely adopted tool which is quick and simple to acquire. However, the problem of estimating continuous electrolyte concentrations directly from ECGs is not well-studied. We therefore investigate if regression methods can be used for accurate ECG-based prediction of electrolyte concentrations. Methods: We explore the use of deep neural networks (DNNs) for this task. We analyze the regression performance across four electrolytes, utilizing a novel dataset containing over 290000 ECGs. For improved understanding, we also study the full spectrum from continuous predictions to binary classification of extreme concentration levels. To enhance clinical usefulness, we finally extend to a probabilistic regression approach and evaluate different uncertainty estimates. Results: We find that the performance varies significantly between different electrolytes, which is clinically justified in the interplay of electrolytes and their manifestation in the ECG. We also compare the regression accuracy with that of traditional machine learning models, demonstrating superior performance of DNNs. Conclusion: Discretization can lead to good classification performance, but does not help solve the original problem of predicting continuous concentration levels. While probabilistic regression demonstrates potential practical usefulness, the uncertainty estimates are not particularly well-calibrated. Significance: Our study is a first step towards accurate and reliable ECG-based prediction of electrolyte concentration levels.

Earthquakes, fire, and floods often cause structural collapses of buildings. The inspection of damaged buildings poses a high risk for emergency forces or is even impossible, though. We present three recent selected missions of the Robotics Task Force of the German Rescue Robotics Center, where both ground and aerial robots were used to explore destroyed buildings. We describe and reflect the missions as well as the lessons learned that have resulted from them. In order to make robots from research laboratories fit for real operations, realistic test environments were set up for outdoor and indoor use and tested in regular exercises by researchers and emergency forces. Based on this experience, the robots and their control software were significantly improved. Furthermore, top teams of researchers and first responders were formed, each with realistic assessments of the operational and practical suitability of robotic systems.

Fine-grained semantic segmentation of a person's face and head, including facial parts and head components, has progressed a great deal in recent years. However, it remains a challenging task, whereby considering ambiguous occlusions and large pose variations are particularly difficult. To overcome these difficulties, we propose a novel framework termed Mask-FPAN. It uses a de-occlusion module that learns to parse occluded faces in a semi-supervised way. In particular, face landmark localization, face occlusionstimations, and detected head poses are taken into account. A 3D morphable face model combined with the UV GAN improves the robustness of 2D face parsing. In addition, we introduce two new datasets named FaceOccMask-HQ and CelebAMaskOcc-HQ for face paring work. The proposed Mask-FPAN framework addresses the face parsing problem in the wild and shows significant performance improvements with MIOU from 0.7353 to 0.9013 compared to the state-of-the-art on challenging face datasets.

Deep unfolding networks (DUNs) have proven to be a viable approach to compressive sensing (CS). In this work, we propose a DUN called low-rank CS network (LR-CSNet) for natural image CS. Real-world image patches are often well-represented by low-rank approximations. LR-CSNet exploits this property by adding a low-rank prior to the CS optimization task. We derive a corresponding iterative optimization procedure using variable splitting, which is then translated to a new DUN architecture. The architecture uses low-rank generation modules (LRGMs), which learn low-rank matrix factorizations, as well as gradient descent and proximal mappings (GDPMs), which are proposed to extract high-frequency features to refine image details. In addition, the deep features generated at each reconstruction stage in the DUN are transferred between stages to boost the performance. Our extensive experiments on three widely considered datasets demonstrate the promising performance of LR-CSNet compared to state-of-the-art methods in natural image CS.