SchNetPack is a versatile neural networks toolbox that addresses both the requirements of method development and application of atomistic machine learning. Version 2.0 comes with an improved data pipeline, modules for equivariant neural networks as well as a PyTorch implementation of molecular dynamics. An optional integration with PyTorch Lightning and the Hydra configuration framework powers a flexible command-line interface. This makes SchNetPack 2.0 easily extendable with custom code and ready for complex training task such as generation of 3d molecular structures.

幽默是人类情感和认知的重要因素。它的自动理解可以促进更自然的人类设备互动和人工智能的人性化。当前的幽默检测方法仅基于分阶段数据，使其不适用于“现实世界”应用程序。我们通过引入新颖的Passau自发足球教练幽默（Passau-SFCH）数据集来解决这种缺陷，包括大约11个小时的录音。在马丁的幽默风格问卷中提出的幽默及其尺寸（情感和方向）的存在，请注释Passau-SFCH数据集。我们进行了一系列实验，采用了经过预定的变压器，卷积神经网络和专家设计的功能。分析了每种模式（文本，音频，视频）的表现，以进行自发幽默识别，并研究了它们的互补性。我们的发现表明，对于对幽默及其情感的自动分析，面部表情是最有希望的，而幽默方向可以通过基于文本的功能进行建模。结果揭示了各种主题之间的差异，突出了幽默用法和风格的个性。此外，我们观察到决策级融合会产生最佳认可结果。最后，我们在https://www.github.com/eihw/passau-sfch上公开代码。可以根据要求获得Passau-SFCH数据集。

语言模型既展示了定量的改进，又展示了新的定性功能，随着规模的增加。尽管它们具有潜在的变革性影响，但这些新能力的特征却很差。为了为未来的研究提供信息，为破坏性的新模型能力做准备，并改善社会有害的效果，至关重要的是，我们必须了解目前和近乎未来的能力和语言模型的局限性。为了应对这一挑战，我们介绍了超越模仿游戏基准（Big Bench）。 Big Bench目前由204个任务组成，由132家机构的442位作者贡献。任务主题是多样的，从语言学，儿童发展，数学，常识性推理，生物学，物理学，社会偏见，软件开发等等。 Big-Bench专注于被认为超出当前语言模型的功能的任务。我们评估了OpenAI的GPT型号，Google内部密集变压器体系结构和大型基础上的开关稀疏变压器的行为，跨越了数百万到数十亿个参数。此外，一个人类专家评估者团队执行了所有任务，以提供强大的基准。研究结果包括：模型性能和校准都随规模改善，但绝对的术语（以及与评估者的性能相比）；在模型类中的性能非常相似，尽管带有稀疏性。逐渐和预测的任务通常涉及大量知识或记忆成分，而在临界规模上表现出“突破性”行为的任务通常涉及多个步骤或组成部分或脆性指标；社交偏见通常会随着含糊不清的环境而随着规模而增加，但这可以通过提示来改善。

Making histopathology image classifiers robust to a wide range of real-world variability is a challenging task. Here, we describe a candidate deep learning solution for the Mitosis Domain Generalization Challenge 2022 (MIDOG) to address the problem of generalization for mitosis detection in images of hematoxylin-eosin-stained histology slides under high variability (scanner, tissue type and species variability). Our approach consists in training a rotation-invariant deep learning model using aggressive data augmentation with a training set enriched with hard negative examples and automatically selected negative examples from the unlabeled part of the challenge dataset. To optimize the performance of our models, we investigated a hard negative mining regime search procedure that lead us to train our best model using a subset of image patches representing 19.6% of our training partition of the challenge dataset. Our candidate model ensemble achieved a F1-score of .697 on the final test set after automated evaluation on the challenge platform, achieving the third best overall score in the MIDOG 2022 Challenge.

While the brain connectivity network can inform the understanding and diagnosis of developmental dyslexia, its cause-effect relationships have not yet enough been examined. Employing electroencephalography signals and band-limited white noise stimulus at 4.8 Hz (prosodic-syllabic frequency), we measure the phase Granger causalities among channels to identify differences between dyslexic learners and controls, thereby proposing a method to calculate directional connectivity. As causal relationships run in both directions, we explore three scenarios, namely channels' activity as sources, as sinks, and in total. Our proposed method can be used for both classification and exploratory analysis. In all scenarios, we find confirmation of the established right-lateralized Theta sampling network anomaly, in line with the temporal sampling framework's assumption of oscillatory differences in the Theta and Gamma bands. Further, we show that this anomaly primarily occurs in the causal relationships of channels acting as sinks, where it is significantly more pronounced than when only total activity is observed. In the sink scenario, our classifier obtains 0.84 and 0.88 accuracy and 0.87 and 0.93 AUC for the Theta and Gamma bands, respectively.

Vocal Bursts -- short, non-speech vocalizations that convey emotions, such as laughter, cries, sighs, moans, and groans -- are an often-overlooked aspect of speech emotion recognition, but an important aspect of human vocal communication. One barrier to study of these interesting vocalizations is a lack of large datasets. I am pleased to introduce the EmoGator dataset, which consists of 32,040 samples from 365 speakers, 16.91 hours of audio; each sample classified into one of 30 distinct emotion categories by the speaker. Several different approaches to construct classifiers to identify emotion categories will be discussed, and directions for future research will be suggested. Data set is available for download from https://github.com/fredbuhl/EmoGator.

Charisma is considered as one's ability to attract and potentially also influence others. Clearly, there can be considerable interest from an artificial intelligence's (AI) perspective to provide it with such skill. Beyond, a plethora of use cases opens up for computational measurement of human charisma, such as for tutoring humans in the acquisition of charisma, mediating human-to-human conversation, or identifying charismatic individuals in big social data. A number of models exist that base charisma on various dimensions, often following the idea that charisma is given if someone could and would help others. Examples include influence (could help) and affability (would help) in scientific studies or power (could help), presence, and warmth (both would help) as a popular concept. Modelling high levels in these dimensions for humanoid robots or virtual agents, seems accomplishable. Beyond, also automatic measurement appears quite feasible with the recent advances in the related fields of Affective Computing and Social Signal Processing. Here, we, thereforem present a blueprint for building machines that can appear charismatic, but also analyse the charisma of others. To this end, we first provide the psychological perspective including different models of charisma and behavioural cues of it. We then switch to conversational charisma in spoken language as an exemplary modality that is essential for human-human and human-computer conversations. The computational perspective then deals with the recognition and generation of charismatic behaviour by AI. This includes an overview of the state of play in the field and the aforementioned blueprint. We then name exemplary use cases of computational charismatic skills before switching to ethical aspects and concluding this overview and perspective on building charisma-enabled AI.

Recent advances in upper limb prostheses have led to significant improvements in the number of movements provided by the robotic limb. However, the method for controlling multiple degrees of freedom via user-generated signals remains challenging. To address this issue, various machine learning controllers have been developed to better predict movement intent. As these controllers become more intelligent and take on more autonomy in the system, the traditional approach of representing the human-machine interface as a human controlling a tool becomes limiting. One possible approach to improve the understanding of these interfaces is to model them as collaborative, multi-agent systems through the lens of joint action. The field of joint action has been commonly applied to two human partners who are trying to work jointly together to achieve a task, such as singing or moving a table together, by effecting coordinated change in their shared environment. In this work, we compare different prosthesis controllers (proportional electromyography with sequential switching, pattern recognition, and adaptive switching) in terms of how they present the hallmarks of joint action. The results of the comparison lead to a new perspective for understanding how existing myoelectric systems relate to each other, along with recommendations for how to improve these systems by increasing the collaborative communication between each partner.

Applying deep learning concepts from image detection and graph theory has greatly advanced protein-ligand binding affinity prediction, a challenge with enormous ramifications for both drug discovery and protein engineering. We build upon these advances by designing a novel deep learning architecture consisting of a 3-dimensional convolutional neural network utilizing channel-wise attention and two graph convolutional networks utilizing attention-based aggregation of node features. HAC-Net (Hybrid Attention-Based Convolutional Neural Network) obtains state-of-the-art results on the PDBbind v.2016 core set, the most widely recognized benchmark in the field. We extensively assess the generalizability of our model using multiple train-test splits, each of which maximizes differences between either protein structures, protein sequences, or ligand extended-connectivity fingerprints. Furthermore, we perform 10-fold cross-validation with a similarity cutoff between SMILES strings of ligands in the training and test sets, and also evaluate the performance of HAC-Net on lower-quality data. We envision that this model can be extended to a broad range of supervised learning problems related to structure-based biomolecular property prediction. All of our software is available as open source at https://github.com/gregory-kyro/HAC-Net/.

Data deprivation, or the lack of easily available and actionable information on the well-being of individuals, is a significant challenge for the developing world and an impediment to the design and operationalization of policies intended to alleviate poverty. In this paper we explore the suitability of data derived from OpenStreetMap to proxy for the location of two crucial public services: schools and health clinics. Thanks to the efforts of thousands of digital humanitarians, online mapping repositories such as OpenStreetMap contain millions of records on buildings and other structures, delineating both their location and often their use. Unfortunately much of this data is locked in complex, unstructured text rendering it seemingly unsuitable for classifying schools or clinics. We apply a scalable, unsupervised learning method to unlabeled OpenStreetMap building data to extract the location of schools and health clinics in ten countries in Africa. We find the topic modeling approach greatly improves performance versus reliance on structured keys alone. We validate our results by comparing schools and clinics identified by our OSM method versus those identified by the WHO, and describe OSM coverage gaps more broadly.