The self-configuring nnU-Net has achieved leading performance in a large range of medical image segmentation challenges. It is widely considered as the model of choice and a strong baseline for medical image segmentation. However, despite its extraordinary performance, nnU-Net does not supply a measure of uncertainty to indicate its possible failure. This can be problematic for large-scale image segmentation applications, where data are heterogeneous and nnU-Net may fail without notice. In this work, we introduce a novel method to estimate nnU-Net uncertainty for medical image segmentation. We propose a highly effective scheme for posterior sampling of weight space for Bayesian uncertainty estimation. Different from previous baseline methods such as Monte Carlo Dropout and mean-field Bayesian Neural Networks, our proposed method does not require a variational architecture and keeps the original nnU-Net architecture intact, thereby preserving its excellent performance and ease of use. Additionally, we boost the segmentation performance over the original nnU-Net via marginalizing multi-modal posterior models. We applied our method on the public ACDC and M&M datasets of cardiac MRI and demonstrated improved uncertainty estimation over a range of baseline methods. The proposed method further strengthens nnU-Net for medical image segmentation in terms of both segmentation accuracy and quality control.

我们提出了一种新的方法，可实现化学流程表的自动完成。这个想法的灵感来自文本的自动完成。我们使用基于文本的SFILE 2.0表示法表示流程图为字符串，并使用基于变压器的语言模型在流程图中学习SFILE 2.0语言和常见模式的语法结构。我们将模型预先培训，以了解合成生成的流程图，以学习流语言语法。然后，我们在真实流程图拓扑的转移学习步骤中微调模型。最后，我们使用训练有素的因果语言建模模型来自动完成流程表。最终，所提出的方法可以在交互式流动表合成过程中为化学工程师提供建议。结果表明，这种方法对于未来的AI辅助过程合成具有很高的潜力。

图形神经网络（GNN）正在化学工程中出现，以基于分子图的物理化学特性端到端学习。 GNNS的一个关键要素是合并函数，将原子矢量结合到分子指纹中。大多数以前的作品都使用标准池功能来预测各种属性。但是，不合适的合并功能会导致概括不佳的非物理GNN。我们根据有关学习特性的物理知识比较并选择有意义的GNN合并方法。通过量子机械计算计算出的分子特性证明了物理池函数的影响。我们还将结果与最近的SET2Set合并方法进行了比较。我们建议使用总和池来预测取决于分子大小的性能并比较分子大小无关的属性的池函数。总体而言，我们表明物理池功能的使用显着增强了概括。

过程合成经历了数字化和人工智能加速的破坏性转换。我们提出了一种基于最先进的演员批评逻辑的化学过程设计的增强学习算法。我们提出的算法代表化学过程作为图形，并使用图形卷积神经网络从过程图中学习。特别是，图形神经网络是在代理体系结构中实现的，以处理状态并做出决策。此外，我们实施了一个层次结构和混合决策过程来生成流程表，在该过程中，将单位操作迭代作为离散决策和相应的设计变量选择作为连续决策。我们证明了我们的方法在包括平衡反应，共聚物分离和回收的一个说明性案例研究中设计经济可行的流程表的潜力。结果显示在离散，连续和混合动作空间中快速学习。由于拟议的强化学习代理的灵活体系结构，该方法被预定为包括大型动作状态空间和在未来研究中处理模拟器的接口。

离子液体（ILS）是可持续过程的重要溶剂，并且需要预测IL中溶质的活性系数（AC）。最近，矩阵完成方法（MCM），变压器和图神经网络（GNN）在预测二元混合物的AC方面表现出很高的精度，例如宇宙RS和UNIFAC优于公认的模型。 GNN在这里特别有希望，因为他们学习了分子图到特性的关系，而无需预处理，通常是变压器所需的，并且与MCMS不同，适用于不包括训练中不包括的分子。但是，对于ILS，目前缺少GNN应用程序。在此，我们提出了一个GNN，以预测IL中溶质的温度依赖性无限稀释液。我们在包括40,000多个AC值的数据库上训练GNN，并将其与最先进的MCM进行比较。 GNN和MCM实现了类似的高预测性能，GNN还可以对培训期间未考虑的IL和溶质的AC进行高质量的预测。

This short report reviews the current state of the research and methodology on theoretical and practical aspects of Artificial Neural Networks (ANN). It was prepared to gather state-of-the-art knowledge needed to construct complex, hypercomplex and fuzzy neural networks. The report reflects the individual interests of the authors and, by now means, cannot be treated as a comprehensive review of the ANN discipline. Considering the fast development of this field, it is currently impossible to do a detailed review of a considerable number of pages. The report is an outcome of the Project 'The Strategic Research Partnership for the mathematical aspects of complex, hypercomplex and fuzzy neural networks' meeting at the University of Warmia and Mazury in Olsztyn, Poland, organized in September 2022.

Two approaches to AI, neural networks and symbolic systems, have been proven very successful for an array of AI problems. However, neither has been able to achieve the general reasoning ability required for human-like intelligence. It has been argued that this is due to inherent weaknesses in each approach. Luckily, these weaknesses appear to be complementary, with symbolic systems being adept at the kinds of things neural networks have trouble with and vice-versa. The field of neural-symbolic AI attempts to exploit this asymmetry by combining neural networks and symbolic AI into integrated systems. Often this has been done by encoding symbolic knowledge into neural networks. Unfortunately, although many different methods for this have been proposed, there is no common definition of an encoding to compare them. We seek to rectify this problem by introducing a semantic framework for neural-symbolic AI, which is then shown to be general enough to account for a large family of neural-symbolic systems. We provide a number of examples and proofs of the application of the framework to the neural encoding of various forms of knowledge representation and neural network. These, at first sight disparate approaches, are all shown to fall within the framework's formal definition of what we call semantic encoding for neural-symbolic AI.

We propose a method that leverages graph neural networks, multi-level message passing, and unsupervised training to enable real-time prediction of realistic clothing dynamics. Whereas existing methods based on linear blend skinning must be trained for specific garments, our method is agnostic to body shape and applies to tight-fitting garments as well as loose, free-flowing clothing. Our method furthermore handles changes in topology (e.g., garments with buttons or zippers) and material properties at inference time. As one key contribution, we propose a hierarchical message-passing scheme that efficiently propagates stiff stretching modes while preserving local detail. We empirically show that our method outperforms strong baselines quantitatively and that its results are perceived as more realistic than state-of-the-art methods.

Hierarchical decomposition of control is unavoidable in large dynamical systems. In reinforcement learning (RL), it is usually solved with subgoals defined at higher policy levels and achieved at lower policy levels. Reaching these goals can take a substantial amount of time, during which it is not verified whether they are still worth pursuing. However, due to the randomness of the environment, these goals may become obsolete. In this paper, we address this gap in the state-of-the-art approaches and propose a method in which the validity of higher-level actions (thus lower-level goals) is constantly verified at the higher level. If the actions, i.e. lower level goals, become inadequate, they are replaced by more appropriate ones. This way we combine the advantages of hierarchical RL, which is fast training, and flat RL, which is immediate reactivity. We study our approach experimentally on seven benchmark environments.

The number of standardized policy documents regarding climate policy and their publication frequency is significantly increasing. The documents are long and tedious for manual analysis, especially for policy experts, lawmakers, and citizens who lack access or domain expertise to utilize data analytics tools. Potential consequences of such a situation include reduced citizen governance and involvement in climate policies and an overall surge in analytics costs, rendering less accessibility for the public. In this work, we use a Latent Dirichlet Allocation-based pipeline for the automatic summarization and analysis of 10-years of national energy and climate plans (NECPs) for the period from 2021 to 2030, established by 27 Member States of the European Union. We focus on analyzing policy framing, the language used to describe specific issues, to detect essential nuances in the way governments frame their climate policies and achieve climate goals. The methods leverage topic modeling and clustering for the comparative analysis of policy documents across different countries. It allows for easier integration in potential user-friendly applications for the development of theories and processes of climate policy. This would further lead to better citizen governance and engagement over climate policies and public policy research.