用于图像分割的深卷卷卷神经网络不会明确学习标签结构，并且可能会在类似树状结构（例如气道或血管）分割的圆柱形结构中产生不正确的结构（例如，具有断开的圆柱形结构）的分割。在本文中，我们提出了一种新型的标签改进方法，以从初始分割中纠正此类错误，并隐含地包含有关标签结构的信息。该方法具有两个新颖的部分：1）生成合成结构误差的模型，以及2）产生合成分割（带有误差）的标签外观仿真网络，其外观与实际初始分段相似。使用这些合成分割和原始图像，对标签改进网络进行了训练，以纠正错误并改善初始分割。该方法对两个分割任务进行了验证：来自胸部计算机断层扫描（CT）扫描和大脑3D CT血管造影（CTA）图像的脑血管分割的气道分割。在这两种应用中，我们的方法都大大优于标准的3D U-NET和其他先前的改进方法。当使用其他未标记的数据进行模型培训时，改进甚至更大。在消融研究中，我们证明了所提出方法的不同组成部分的值。

在主动学习中，一个有趣但没有广泛研究的问题是样本可重复使用性：一个学习者在多大程度上可以被另一个学习者重复使用？本文解释了为什么样本可重复使用性具有实际兴趣，为什么重复使用可能是一个问题，如何通过重要性加权的积极学习来改善可重复使用性以及哪些普遍可重复使用性的障碍仍然存在。通过理论论点和实际演示，本文认为普遍的可重复性是不可能的。因为每个活跃的学习策略都必须调解样本空间的某些领域，因此依赖于这些领域样本的学习者将从随机的样本选择中学习更多。本文描述了一些具有重要性加权的活跃学习的实验，这些实验表明了可重复性问题在实践中的影响。该实验证实了普遍的可重复使用性不存在，尽管在某些情况下 - 在某些数据集和某些分类器上 - 有样本可重复使用性。最后，本文探讨了可以保证两个分类器之间可重复使用性的条件。

已知尝试构建自主机器人依赖复杂的控制架构，通常使用机器人操作系统平台（ROS）实现。在这些系统中需要运行时适应，以应对组件故障，并使用动态环境引起的突发事件 - 否则，这些系统会影响任务执行的可靠性和质量。关于如何在机器人中构建自适应系统的现有提案通常需要重大重新设计控制架构，并依赖于对机器人社区不熟悉的复杂工具。此外，它们很难重复使用应用程序。本文介绍了MRO：基于ROS的机器人控制架构的运行时调整的基于模型的框架。 MRO使用域特定语言的组合来模拟架构变体，并捕获任务质量问题，以及基于本体的Mape-K和Meta-Contoil Visions的运行时适应的愿望。在两个现实ROS的机器人示范器中施加MRO的实验结果在特派团执行的质量方面，展示了我们的方法的好处，以及机器人应用程序的MROS的可扩展性和可重复性。

Modeling lies at the core of both the financial and the insurance industry for a wide variety of tasks. The rise and development of machine learning and deep learning models have created many opportunities to improve our modeling toolbox. Breakthroughs in these fields often come with the requirement of large amounts of data. Such large datasets are often not publicly available in finance and insurance, mainly due to privacy and ethics concerns. This lack of data is currently one of the main hurdles in developing better models. One possible option to alleviating this issue is generative modeling. Generative models are capable of simulating fake but realistic-looking data, also referred to as synthetic data, that can be shared more freely. Generative Adversarial Networks (GANs) is such a model that increases our capacity to fit very high-dimensional distributions of data. While research on GANs is an active topic in fields like computer vision, they have found limited adoption within the human sciences, like economics and insurance. Reason for this is that in these fields, most questions are inherently about identification of causal effects, while to this day neural networks, which are at the center of the GAN framework, focus mostly on high-dimensional correlations. In this paper we study the causal preservation capabilities of GANs and whether the produced synthetic data can reliably be used to answer causal questions. This is done by performing causal analyses on the synthetic data, produced by a GAN, with increasingly more lenient assumptions. We consider the cross-sectional case, the time series case and the case with a complete structural model. It is shown that in the simple cross-sectional scenario where correlation equals causation the GAN preserves causality, but that challenges arise for more advanced analyses.

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.

We propose Hierarchical ProtoPNet: an interpretable network that explains its reasoning process by considering the hierarchical relationship between classes. Different from previous methods that explain their reasoning process by dissecting the input image and finding the prototypical parts responsible for the classification, we propose to explain the reasoning process for video action classification by dissecting the input video frames on multiple levels of the class hierarchy. The explanations leverage the hierarchy to deal with uncertainty, akin to human reasoning: When we observe water and human activity, but no definitive action it can be recognized as the water sports parent class. Only after observing a person swimming can we definitively refine it to the swimming action. Experiments on ActivityNet and UCF-101 show performance improvements while providing multi-level explanations.

Artificial intelligence (AI) in the form of deep learning bears promise for drug discovery and chemical biology, $\textit{e.g.}$, to predict protein structure and molecular bioactivity, plan organic synthesis, and design molecules $\textit{de novo}$. While most of the deep learning efforts in drug discovery have focused on ligand-based approaches, structure-based drug discovery has the potential to tackle unsolved challenges, such as affinity prediction for unexplored protein targets, binding-mechanism elucidation, and the rationalization of related chemical kinetic properties. Advances in deep learning methodologies and the availability of accurate predictions for protein tertiary structure advocate for a $\textit{renaissance}$ in structure-based approaches for drug discovery guided by AI. This review summarizes the most prominent algorithmic concepts in structure-based deep learning for drug discovery, and forecasts opportunities, applications, and challenges ahead.

The ability to convert reciprocating, i.e., alternating, actuation into rotary motion using linkages is hindered fundamentally by their poor torque transmission capability around kinematic singularity configurations. Here, we harness the elastic potential energy of a linear spring attached to the coupler link of four-bar mechanisms to manipulate force transmission around the kinematic singularities. We developed a theoretical model to explore the parameter space for proper force transmission in slider-crank and rocker-crank four-bar kinematics. Finally, we verified the proposed model and methodology by building and testing a macro-scale prototype of a slider-crank mechanism. We expect this approach to enable the development of small-scale rotary engines and robotic devices with closed kinematic chains dealing with serial kinematic singularities, such as linkages and parallel manipulators.

Prevailing methods for assessing and comparing generative AIs incentivize responses that serve a hypothetical representative individual. Evaluating models in these terms presumes homogeneous preferences across the population and engenders selection of agglomerative AIs, which fail to represent the diverse range of interests across individuals. We propose an alternative evaluation method that instead prioritizes inclusive AIs, which provably retain the requisite knowledge not only for subsequent response customization to particular segments of the population but also for utility-maximizing decisions.

We study the problem of combining neural networks with symbolic reasoning. Recently introduced frameworks for Probabilistic Neurosymbolic Learning (PNL), such as DeepProbLog, perform exponential-time exact inference, limiting the scalability of PNL solutions. We introduce Approximate Neurosymbolic Inference (A-NeSI): a new framework for PNL that uses neural networks for scalable approximate inference. A-NeSI 1) performs approximate inference in polynomial time without changing the semantics of probabilistic logics; 2) is trained using data generated by the background knowledge; 3) can generate symbolic explanations of predictions; and 4) can guarantee the satisfaction of logical constraints at test time, which is vital in safety-critical applications. Our experiments show that A-NeSI is the first end-to-end method to scale the Multi-digit MNISTAdd benchmark to sums of 15 MNIST digits, up from 4 in competing systems. Finally, our experiments show that A-NeSI achieves explainability and safety without a penalty in performance.