这项工作介绍了神经性等因素的外部潜力（NEQUIP），E（3） - 用于学习分子动力学模拟的AB-INITIO计算的用于学习网状体电位的e（3）的神经网络方法。虽然大多数当代对称的模型使用不变的卷曲，但仅在标量上采取行动，Nequip采用E（3） - 几何张量的相互作用，举起Quivariant卷曲，导致了更多的信息丰富和忠实的原子环境代表。该方法在挑战和多样化的分子和材料集中实现了最先进的准确性，同时表现出显着的数据效率。 Nequip优先于现有型号，最多三个数量级的培训数据，挑战深度神经网络需要大量培训套装。该方法的高数据效率允许使用高阶量子化学水平的理论作为参考的精确潜力构建，并且在长时间尺度上实现高保真分子动力学模拟。

我们提出了E3NN，这是一个通用框架，用于创建E（3）e术训练功能，也称为欧几里得神经网络。E3NN自然地在几何和几何张量上进行操作，这些几何和几何张量描述了3D中的系统，并在坐标系统的变化下可预测地转换。E3NN的核心是诸如张力生产类别或球形谐波函数之类的等效操作，这些功能可以组成，以创建更复杂的模块，例如卷积和注意机制。E3NN的这些核心操作可用于有效地阐明张量球场网络，3D可通道的CNN，Clebsch-Gordan Networks，SE（3）变压器和其他E（3）E（3）Equivariant网络。

3D相关的电感偏见，例如翻译不变性和旋转率偏差，对于在3D原子图（例如分子）上运行的图形神经网络是必不可少的。受到变压器在各个领域的成功的启发，我们研究了如何将这些电感偏置纳入变压器。在本文中，我们提出了Equibrouner，这是一个图形神经网络，利用了变压器体系结构的强度，并结合了基于不可减至表示（IRREPS）的$ SE（3）/e（3）$ - 均值功能。 IRREPS在通道尺寸中的编码均值信息而不使图形结构复杂化。简单性使我们能够通过用eproimiant对应物替换原始操作来直接合并它们。此外，为了更好地适应3D图，我们提出了一种新颖的模棱两可的图形注意力，该图都考虑了内容和几何信息，例如IRRERPS特征中包含的相对位置。为了提高注意力的表现力，我们用多层感知器的注意力取代了点产品的注意力，并包括非线性消息传递。我们在两个量子性能预测数据集（QM9和OC20）上进行基准测试。对于QM9，在接受相同数据分区训练的模型中，Equibourer在12个回归任务中的11个中取得了最佳结果。对于OC20，在使用IS2RE数据和IS2RS数据的培训设置下，Equibourer对最先进的模型进行了改进。复制所有主要结果的代码将很快获得。

分子模拟的粗粒度（CG）通过将选定的原子分组为伪珠并大幅加速模拟来简化粒子的表示。但是，这种CG程序会导致信息损失，从而使准确的背景映射，即从CG坐标恢复细粒度（FG）坐标，这是一个长期存在的挑战。受生成模型和e象网络的最新进展的启发，我们提出了一个新型模型，该模型严格嵌入了背态转换的重要概率性质和几何一致性要求。我们的模型将FG的不确定性编码为不变的潜在空间，并通过Equivariant卷积将其解码为FG几何形状。为了标准化该领域的评估，我们根据分子动力学轨迹提供了三个综合基准。实验表明，我们的方法始终恢复更现实的结构，并以显着的边距胜过现有的数据驱动方法。

我们提出了一种基于图形神经网络的图分算法。对于图表中的每个节点，网络输出每个分区的概率。图形神经网络由两个模块组成：嵌入阶段和分区阶段。首先通过最小化由光谱图理论的启发的损耗函数来训练嵌入阶段。分区模块通过损耗函数培训，该损耗函数对应于归一化切割的预期值。神经网络的两部分依赖于Sage卷积层和粗糙化粗糙匹配的图表。神经网络的多级结构受到多重级算法的启发。我们的方法概括了更大的图表，并且与Metis，Scotch和光谱分区相当的分区质量，与Metis和光谱分区相比具有较短的运行时。

Logic Mill is a scalable and openly accessible software system that identifies semantically similar documents within either one domain-specific corpus or multi-domain corpora. It uses advanced Natural Language Processing (NLP) techniques to generate numerical representations of documents. Currently it leverages a large pre-trained language model to generate these document representations. The system focuses on scientific publications and patent documents and contains more than 200 million documents. It is easily accessible via a simple Application Programming Interface (API) or via a web interface. Moreover, it is continuously being updated and can be extended to text corpora from other domains. We see this system as a general-purpose tool for future research applications in the social sciences and other domains.

This paper proposes a novel observer-based controller for Vertical Take-Off and Landing (VTOL) Unmanned Aerial Vehicle (UAV) designed to directly receive measurements from a Vision-Aided Inertial Navigation System (VA-INS) and produce the required thrust and rotational torque inputs. The VA-INS is composed of a vision unit (monocular or stereo camera) and a typical low-cost 6-axis Inertial Measurement Unit (IMU) equipped with an accelerometer and a gyroscope. A major benefit of this approach is its applicability for environments where the Global Positioning System (GPS) is inaccessible. The proposed VTOL-UAV observer utilizes IMU and feature measurements to accurately estimate attitude (orientation), gyroscope bias, position, and linear velocity. Ability to use VA-INS measurements directly makes the proposed observer design more computationally efficient as it obviates the need for attitude and position reconstruction. Once the motion components are estimated, the observer-based controller is used to control the VTOL-UAV attitude, angular velocity, position, and linear velocity guiding the vehicle along the desired trajectory in six degrees of freedom (6 DoF). The closed-loop estimation and the control errors of the observer-based controller are proven to be exponentially stable starting from almost any initial condition. To achieve global and unique VTOL-UAV representation in 6 DoF, the proposed approach is posed on the Lie Group and the design in unit-quaternion is presented. Although the proposed approach is described in a continuous form, the discrete version is provided and tested. Keywords: Vision-aided inertial navigation system, unmanned aerial vehicle, vertical take-off and landing, stochastic, noise, Robotics, control systems, air mobility, observer-based controller algorithm, landmark measurement, exponential stability.

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.

A "heart attack" or myocardial infarction (MI), occurs when an artery supplying blood to the heart is abruptly occluded. The "gold standard" method for imaging MI is Cardiovascular Magnetic Resonance Imaging (MRI), with intravenously administered gadolinium-based contrast (late gadolinium enhancement). However, no "gold standard" fully automated method for the quantification of MI exists. In this work, we propose an end-to-end fully automatic system (MyI-Net) for the detection and quantification of MI in MRI images. This has the potential to reduce the uncertainty due to the technical variability across labs and inherent problems of the data and labels. Our system consists of four processing stages designed to maintain the flow of information across scales. First, features from raw MRI images are generated using feature extractors built on ResNet and MoblieNet architectures. This is followed by the Atrous Spatial Pyramid Pooling (ASPP) to produce spatial information at different scales to preserve more image context. High-level features from ASPP and initial low-level features are concatenated at the third stage and then passed to the fourth stage where spatial information is recovered via up-sampling to produce final image segmentation output into: i) background, ii) heart muscle, iii) blood and iv) scar areas. New models were compared with state-of-art models and manual quantification. Our models showed favorable performance in global segmentation and scar tissue detection relative to state-of-the-art work, including a four-fold better performance in matching scar pixels to contours produced by clinicians.

Increasing popularity of deep-learning-powered applications raises the issue of vulnerability of neural networks to adversarial attacks. In other words, hardly perceptible changes in input data lead to the output error in neural network hindering their utilization in applications that involve decisions with security risks. A number of previous works have already thoroughly evaluated the most commonly used configuration - Convolutional Neural Networks (CNNs) against different types of adversarial attacks. Moreover, recent works demonstrated transferability of the some adversarial examples across different neural network models. This paper studied robustness of the new emerging models such as SpinalNet-based neural networks and Compact Convolutional Transformers (CCT) on image classification problem of CIFAR-10 dataset. Each architecture was tested against four White-box attacks and three Black-box attacks. Unlike VGG and SpinalNet models, attention-based CCT configuration demonstrated large span between strong robustness and vulnerability to adversarial examples. Eventually, the study of transferability between VGG, VGG-inspired SpinalNet and pretrained CCT 7/3x1 models was conducted. It was shown that despite high effectiveness of the attack on the certain individual model, this does not guarantee the transferability to other models.