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.

由于它们在建模复杂的问题和处理高维数据集的有效性，因此已显示深神网络（DNN）在广泛的应用领域中的传统机器学习算法优于传统的机器学习算法。但是，许多现实生活数据集具有越来越高的维度，其中大量功能可能与手头的任务无关。包含此类功能不仅会引入不必要的噪声，还会提高计算复杂性。此外，由于许多特征之间的非线性和依赖性高，DNN模型往往不可避免地是不透明的，并且被视为黑盒方法，因为它们的内部功能不佳。解释良好的模型可以识别具有统计学意义的特征，并解释其影响模型结果的方式。在本文中，我们提出了一种有效的方法，可以在高维数据集的情况下提高黑框模型的分类任务。为此，我们首先在高维数据集上训练黑框模型，以了解执行分类的嵌入。为了分解黑框模型的内部工作原理并确定TOP-K重要特征，我们采用了不同的探测和扰动技术。然后，我们通过在TOP-K特征空间上通过可解释的替代模型来近似黑框模型的行为。最后，我们从替代模型中得出决策规则和本地解释，以解释个人决策。当在不同数据集上测试，尺寸在50到20,000之间的不同数据集上进行测试时，我们的方法优于最先进的方法，例如TABNET，XGBOOST和基于Shap的可解释性技术。

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.

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.

The Me 163 was a Second World War fighter airplane and a result of the German air force secret developments. One of these airplanes is currently owned and displayed in the historic aircraft exhibition of the Deutsches Museum in Munich, Germany. To gain insights with respect to its history, design and state of preservation, a complete CT scan was obtained using an industrial XXL-computer tomography scanner. Using the CT data from the Me 163, all its details can visually be examined at various levels, ranging from the complete hull down to single sprockets and rivets. However, while a trained human observer can identify and interpret the volumetric data with all its parts and connections, a virtual dissection of the airplane and all its different parts would be quite desirable. Nevertheless, this means, that an instance segmentation of all components and objects of interest into disjoint entities from the CT data is necessary. As of currently, no adequate computer-assisted tools for automated or semi-automated segmentation of such XXL-airplane data are available, in a first step, an interactive data annotation and object labeling process has been established. So far, seven 512 x 512 x 512 voxel sub-volumes from the Me 163 airplane have been annotated and labeled, whose results can potentially be used for various new applications in the field of digital heritage, non-destructive testing, or machine-learning. This work describes the data acquisition process of the airplane using an industrial XXL-CT scanner, outlines the interactive segmentation and labeling scheme to annotate sub-volumes of the airplane's CT data, describes and discusses various challenges with respect to interpreting and handling the annotated and labeled data.