恶意软件（恶意软件）对我们的设备和生活造成了很大的伤害。我们渴望了解恶意软件的行为及其构成的威胁。恶意软件的大多数记录文件都是可变长度和基于文本的文件，并带有时间戳，例如事件日志数据和动态分析配置文件。使用时间戳，我们可以将此类数据分类为基于序列的数据以进行以下分析。但是，很难处理具有可变长度的基于文本的序列。此外，与自然语言文本数据不同，信息安全性中的大多数顺序数据具有特定的属性和结构，例如循环，重复调用，噪声等，以深入分析API调用序列及其结构，我们使用图表表示序列，可以进一步研究信息和结构，例如马尔可夫模型。因此，我们设计并实施了注意力集中的图形神经网络（AWGCN）来分析API调用序列。通过AWGCN，我们可以获取序列嵌入以分析恶意软件的行为。此外，分类实验结果表明，AWGCN在类似呼叫的数据集中的其他分类器优于其他分类器，并且嵌入可以进一步改善经典模型的性能。

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.

Efficient and robust control using spiking neural networks (SNNs) is still an open problem. Whilst behaviour of biological agents is produced through sparse and irregular spiking patterns, which provide both robust and efficient control, the activity patterns in most artificial spiking neural networks used for control are dense and regular -- resulting in potentially less efficient codes. Additionally, for most existing control solutions network training or optimization is necessary, even for fully identified systems, complicating their implementation in on-chip low-power solutions. The neuroscience theory of Spike Coding Networks (SCNs) offers a fully analytical solution for implementing dynamical systems in recurrent spiking neural networks -- while maintaining irregular, sparse, and robust spiking activity -- but it's not clear how to directly apply it to control problems. Here, we extend SCN theory by incorporating closed-form optimal estimation and control. The resulting networks work as a spiking equivalent of a linear-quadratic-Gaussian controller. We demonstrate robust spiking control of simulated spring-mass-damper and cart-pole systems, in the face of several perturbations, including input- and system-noise, system disturbances, and neural silencing. As our approach does not need learning or optimization, it offers opportunities for deploying fast and efficient task-specific on-chip spiking controllers with biologically realistic activity.

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/.

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.

The NASA Astrophysics Data System (ADS) is an essential tool for researchers that allows them to explore the astronomy and astrophysics scientific literature, but it has yet to exploit recent advances in natural language processing. At ADASS 2021, we introduced astroBERT, a machine learning language model tailored to the text used in astronomy papers in ADS. In this work we: - announce the first public release of the astroBERT language model; - show how astroBERT improves over existing public language models on astrophysics specific tasks; - and detail how ADS plans to harness the unique structure of scientific papers, the citation graph and citation context, to further improve astroBERT.

Community detection is the task of discovering groups of nodes sharing similar patterns within a network. With recent advancements in deep learning, methods utilizing graph representation learning and deep clustering have shown great results in community detection. However, these methods often rely on the topology of networks (i) ignoring important features such as network heterogeneity, temporality, multimodality, and other possibly relevant features. Besides, (ii) the number of communities is not known a priori and is often left to model selection. In addition, (iii) in multimodal networks all nodes are assumed to be symmetrical in their features; while true for homogeneous networks, most of the real-world networks are heterogeneous where feature availability often varies. In this paper, we propose a novel framework (named MGTCOM) that overcomes the above challenges (i)--(iii). MGTCOM identifies communities through multimodal feature learning by leveraging a new sampling technique for unsupervised learning of temporal embeddings. Importantly, MGTCOM is an end-to-end framework optimizing network embeddings, communities, and the number of communities in tandem. In order to assess its performance, we carried out an extensive evaluation on a number of multimodal networks. We found out that our method is competitive against state-of-the-art and performs well in inductive inference.

我们提供了证据表明，学到的密度功能理论（``dft'）的力场已准备好进行基态催化剂发现。我们的关键发现是，尽管预测的力与地面真相有很大差异，但使用从超过50 \％的评估系统中使用RPBE功能的能量与使用RPBE功能相似或较低能量的力量的力量与使用RPBE功能相似或较低的力量放松。这具有令人惊讶的含义，即学习的潜力可能已经准备好在挑战性的催化系统中替换DFT，例如在Open Catalyst 2020数据集中发现的电位。此外，我们表明，在局部谐波能量表面上具有与目标DFT能量相同的局部谐波能量表面训练的力场也能够在50 \％的情况下找到较低或相似的能量结构。与在真实能量和力量训练的标准模型相比，这种``简易电位''的收敛步骤更少，这进一步加速了计算。它的成功说明了一个关键：即使模型具有高力误差，学到的电位也可以定位能量最小值。结构优化的主要要求仅仅是学到的电位具有正确的最小值。由于学到的电位与系统大小的速度快速且尺寸为线性，因此我们的结果开辟了快速找到大型系统基础状态的可能性。

三维荧光显微镜通常遭受各向异性的影响，沿轴向方向的分辨率低于侧面成像平面内的分辨率。我们通过提出双周期来解决此问题，这是双环荧光图像的关节反卷积和融合的新框架。受到最近的神经清性方法的启发，双周期被设计为一种循环一致的生成网络，通过结合双视发电机和先前引导的退化模型，以自我监督的方式训练。我们在合成数据和真实数据上验证双周期，显示其最先进的性能，而无需任何外部培训数据。

人群顺序注释可能是一种有效且具有成本效益的方式，用于构建用于序列标签的大型数据集。不同于标记独立实例，对于人群顺序注释，标签序列的质量取决于注释者在捕获序列中每个令牌的内部依赖性方面的专业知识水平。在本文中，我们提出了与人群（SA-SLC）进行序列标记的序列注释。首先，开发了有条件的概率模型，以共同模拟顺序数据和注释者的专业知识，其中引入分类分布以估计每个注释者在捕获局部和非本地标签依赖性以进行顺序注释时的可靠性。为了加速所提出模型的边缘化，提出了有效的标签序列推理（VLSE）方法，以从人群顺序注释中得出有效的地面真相标签序列。 VLSE从令牌级别中得出了可能的地面真相标签，并在标签序列解码的正向推断中进一步介绍了李子标签。 VLSE减少了候选标签序列的数量，并提高了可能的地面真实标签序列的质量。自然语言处理的几个序列标记任务的实验结果显示了所提出的模型的有效性。