使用深度学习方法处理3D PointCloud并不是一件容易的事。一个常见的选择是使用图形神经网络这样做，但是该框架涉及在点之间的边缘创建边缘，而它们之间显然无关。从历史上看，已经提出了诸如K最近的邻居（K-NN）或XYZ特征上的查询球点，例如KAING邻居（K-NN）或查询球点，而不是改善图表，就将其集中在改进网络上。在这项工作中，我们提出了一种从3D PointCloud创建图形的更有原则的方法。我们的方法基于对输入3D PointCloud的转换执行K-NN。这种转换是由具有可学习参数的多层感知器（MLP）完成的，该参数通过与网络的其余部分共同通过反向传播进行了优化。我们还基于应力最小化引入了一种正则化方法，该方法可以控制我们基线的距离距离：k-nn在XYZ空间上。该框架在ModelNet40上进行了测试，其中由我们的网络生成的图表优于基线的总准确性0.3点。

在过去的几年中，已经开发了图形绘图技术，目的是生成美学上令人愉悦的节点链接布局。最近，利用可区分损失功能的使用已为大量使用梯度下降和相关优化算法铺平了道路。在本文中，我们提出了一个用于开发图神经抽屉（GND）的新框架，即依靠神经计算来构建有效且复杂的图的机器。 GND是图形神经网络（GNN），其学习过程可以由任何提供的损失函数（例如图形图中通常使用的损失函数）驱动。此外，我们证明，该机制可以由通过前馈神经网络计算的损失函数来指导，并根据表达美容特性的监督提示，例如交叉边缘的最小化。在这种情况下，我们表明GNN可以通过位置功能很好地丰富与未标记的顶点处理。我们通过为边缘交叉构建损失函数来提供概念验证，并在提议的框架下工作的不同GNN模型之间提供定量和定性的比较。

基于LIDAR的3D对象检测的先前工作主要集中在单帧范式上。在本文中，我们建议通过利用多个帧的时间信息（即点云视频）来检测3D对象。我们从经验上将时间信息分为短期和长期模式。为了编码短期数据，我们提出了一个网格消息传递网络（GMPNET），该网络将每个网格（即分组点）视为节点，并用邻居网格构造K-NN图。为了更新网格的功能，gmpnet迭代从其邻居那里收集信息，从而从附近的框架中挖掘了运动提示。为了进一步汇总长期框架，我们提出了一个细心的时空变压器GRU（AST-GRU），其中包含空间变压器注意（STA）模块和颞变压器注意（TTA）模块。 STA和TTA增强了香草gru，以专注于小物体并更好地对齐运动对象。我们的整体框架支持点云中的在线和离线视频对象检测。我们基于普遍的基于锚和锚的探测器实现算法。关于挑战性的Nuscenes基准的评估结果显示了我们方法的出色表现，在提交论文时，在没有任何铃铛和哨声的情况下在排行榜上获得了第一个。

We propose a novel deep learning-based framework to tackle the challenge of semantic segmentation of largescale point clouds of millions of points. We argue that the organization of 3D point clouds can be efficiently captured by a structure called superpoint graph (SPG), derived from a partition of the scanned scene into geometrically homogeneous elements. SPGs offer a compact yet rich representation of contextual relationships between object parts, which is then exploited by a graph convolutional network. Our framework sets a new state of the art for segmenting outdoor LiDAR scans (+11.9 and +8.8 mIoU points for both Semantic3D test sets), as well as indoor scans (+12.4 mIoU points for the S3DIS dataset).

从设计架构材料到跨尺度的机械行为，计算建模是固体力学中的关键工具。最近，人们对使用机器学习来降低基于物理的模拟的计算成本越来越兴趣。值得注意的是，尽管依赖图神经网络（GNN）的机器学习方法在学习机制方面表现出了成功，但GNN的性能尚未针对无数的固体力学问题进行研究。在这项工作中，我们研究了GNN预测机械驱动的紧急行为的基本方面的能力：柱的几何结构与其弯曲方向之间的联系。为此，我们介绍了不对称屈曲柱（ABC）数据集，该数据集由三个不对称和异质列的几个子数据集组成不稳定。由于局部几何形状，实现标准卷积神经网络元模型所需的“图像样”数据表示不是理想的，因此激发了GNN的使用。除了研究GNN模型体系结构外，我们还研究了不同输入数据表示方法，数据增强和将多个模型结合在一起的效果。虽然我们能够获得良好的结果，但我们还表明，预测基于固体力学的新兴行为是非平凡的。因为我们的模型实施和数据集都在开源许可下分配，所以我们希望未来的研究人员可以在我们的工作基础上建立创建增强的机械师特定机器的机器学习管道，以捕获复杂的几何结构的行为。

3D点云的卷积经过广泛研究，但在几何深度学习中却远非完美。卷积的传统智慧在3D点之间表现出特征对应关系，这是对差的独特特征学习的内在限制。在本文中，我们提出了自适应图卷积（AGCONV），以供点云分析的广泛应用。 AGCONV根据其动态学习的功能生成自适应核。与使用固定/各向同性核的解决方案相比，AGCONV提高了点云卷积的灵活性，有效，精确地捕获了不同语义部位的点之间的不同关系。与流行的注意力体重方案不同，AGCONV实现了卷积操作内部的适应性，而不是简单地将不同的权重分配给相邻点。广泛的评估清楚地表明，我们的方法优于各种基准数据集中的点云分类和分割的最新方法。同时，AGCONV可以灵活地采用更多的点云分析方法来提高其性能。为了验证其灵活性和有效性，我们探索了基于AGCONV的完成，DeNoing，Upsmpling，注册和圆圈提取的范式，它们与竞争对手相当甚至优越。我们的代码可在https://github.com/hrzhou2/adaptconv-master上找到。

图表可以模拟实体之间的复杂交互，它在许多重要的应用程序中自然出现。这些应用程序通常可以投入到标准图形学习任务中，其中关键步骤是学习低维图表示。图形神经网络（GNN）目前是嵌入方法中最受欢迎的模型。然而，邻域聚合范例中的标准GNN患有区分\ EMPH {高阶}图形结构的有限辨别力，而不是\ EMPH {低位}结构。为了捕获高阶结构，研究人员求助于主题和开发的基于主题的GNN。然而，现有的基于主基的GNN仍然仍然遭受较少的辨别力的高阶结构。为了克服上述局限性，我们提出了一个新颖的框架，以更好地捕获高阶结构的新框架，铰接于我们所提出的主题冗余最小化操作员和注射主题组合的新颖框架。首先，MGNN生成一组节点表示W.R.T.每个主题。下一阶段是我们在图案中提出的冗余最小化，该主题在彼此相互比较并蒸馏出每个主题的特征。最后，MGNN通过组合来自不同图案的多个表示来执行节点表示的更新。特别地，为了增强鉴别的功率，MGNN利用重新注射功能来组合表示的函数w.r.t.不同的主题。我们进一步表明，我们的拟议体系结构增加了GNN的表现力，具有理论分析。我们展示了MGNN在节点分类和图形分类任务上的七个公共基准上表现出最先进的方法。

Deep learning has revolutionized many machine learning tasks in recent years, ranging from image classification and video processing to speech recognition and natural language understanding. The data in these tasks are typically represented in the Euclidean space. However, there is an increasing number of applications where data are generated from non-Euclidean domains and are represented as graphs with complex relationships and interdependency between objects. The complexity of graph data has imposed significant challenges on existing machine learning algorithms. Recently, many studies on extending deep learning approaches for graph data have emerged. In this survey, we provide a comprehensive overview of graph neural networks (GNNs) in data mining and machine learning fields. We propose a new taxonomy to divide the state-of-the-art graph neural networks into four categories, namely recurrent graph neural networks, convolutional graph neural networks, graph autoencoders, and spatial-temporal graph neural networks. We further discuss the applications of graph neural networks across various domains and summarize the open source codes, benchmark data sets, and model evaluation of graph neural networks. Finally, we propose potential research directions in this rapidly growing field.

Point cloud learning has lately attracted increasing attention due to its wide applications in many areas, such as computer vision, autonomous driving, and robotics. As a dominating technique in AI, deep learning has been successfully used to solve various 2D vision problems. However, deep learning on point clouds is still in its infancy due to the unique challenges faced by the processing of point clouds with deep neural networks. Recently, deep learning on point clouds has become even thriving, with numerous methods being proposed to address different problems in this area. To stimulate future research, this paper presents a comprehensive review of recent progress in deep learning methods for point clouds. It covers three major tasks, including 3D shape classification, 3D object detection and tracking, and 3D point cloud segmentation. It also presents comparative results on several publicly available datasets, together with insightful observations and inspiring future research directions.

In the last few years, graph neural networks (GNNs) have become the standard toolkit for analyzing and learning from data on graphs. This emerging field has witnessed an extensive growth of promising techniques that have been applied with success to computer science, mathematics, biology, physics and chemistry. But for any successful field to become mainstream and reliable, benchmarks must be developed to quantify progress. This led us in March 2020 to release a benchmark framework that i) comprises of a diverse collection of mathematical and real-world graphs, ii) enables fair model comparison with the same parameter budget to identify key architectures, iii) has an open-source, easy-to-use and reproducible code infrastructure, and iv) is flexible for researchers to experiment with new theoretical ideas. As of December 2022, the GitHub repository has reached 2,000 stars and 380 forks, which demonstrates the utility of the proposed open-source framework through the wide usage by the GNN community. In this paper, we present an updated version of our benchmark with a concise presentation of the aforementioned framework characteristics, an additional medium-sized molecular dataset AQSOL, similar to the popular ZINC, but with a real-world measured chemical target, and discuss how this framework can be leveraged to explore new GNN designs and insights. As a proof of value of our benchmark, we study the case of graph positional encoding (PE) in GNNs, which was introduced with this benchmark and has since spurred interest of exploring more powerful PE for Transformers and GNNs in a robust experimental setting.

Graph classification is an important area in both modern research and industry. Multiple applications, especially in chemistry and novel drug discovery, encourage rapid development of machine learning models in this area. To keep up with the pace of new research, proper experimental design, fair evaluation, and independent benchmarks are essential. Design of strong baselines is an indispensable element of such works. In this thesis, we explore multiple approaches to graph classification. We focus on Graph Neural Networks (GNNs), which emerged as a de facto standard deep learning technique for graph representation learning. Classical approaches, such as graph descriptors and molecular fingerprints, are also addressed. We design fair evaluation experimental protocol and choose proper datasets collection. This allows us to perform numerous experiments and rigorously analyze modern approaches. We arrive to many conclusions, which shed new light on performance and quality of novel algorithms. We investigate application of Jumping Knowledge GNN architecture to graph classification, which proves to be an efficient tool for improving base graph neural network architectures. Multiple improvements to baseline models are also proposed and experimentally verified, which constitutes an important contribution to the field of fair model comparison.

大多数图形神经网络（GNNS）无法区分某些图形或图中的某些节点。这使得无法解决某些分类任务。但是，在这些模型中添加其他节点功能可以解决此问题。我们介绍了几种这样的增强，包括（i）位置节点嵌入，（ii）规范节点ID和（iii）随机特征。这些扩展是由理论结果激励的，并通过对合成子图检测任务进行广泛测试来证实。我们发现位置嵌入在这些任务中的其他扩展大大超过了其他扩展。此外，位置嵌入具有更好的样品效率，在不同的图形分布上表现良好，甚至超过了地面真实节点位置。最后，我们表明，不同的增强功能在既定的GNN基准中都具有竞争力，并建议何时使用它们。

A number of problems can be formulated as prediction on graph-structured data. In this work, we generalize the convolution operator from regular grids to arbitrary graphs while avoiding the spectral domain, which allows us to handle graphs of varying size and connectivity. To move beyond a simple diffusion, filter weights are conditioned on the specific edge labels in the neighborhood of a vertex. Together with the proper choice of graph coarsening, we explore constructing deep neural networks for graph classification. In particular, we demonstrate the generality of our formulation in point cloud classification, where we set the new state of the art, and on a graph classification dataset, where we outperform other deep learning approaches. The source code is available at https://github.com/mys007/ecc.

变换同步是从给定的一组相对运动中恢复绝对变换的问题。尽管有其有用，但由于嘈杂和异常相对运动的影响，问题仍然具有挑战性，以及模拟分析并抑制它们高保真的难度。在这项工作中，我们避免了手工强大的损失功能，并建议使用图形神经网络（GNN）来学习转换同步。与使用复杂的多阶段管道的先前作品不同，我们使用迭代方法，其中每个步骤由单个重量共享消息传递层组成，通过预测切线空间中的增量更新，从前一个迭代中改进绝对姿势。为了减少异常值的影响，在聚合之前将加权消息。我们的迭代方法减轻了对明确初始化步骤的需求，并使用身份初始姿势进行良好。虽然我们的方法很简单，但我们表明它通过SO（3）和SE（3）同步的实验来对现有的手工和学习的同步方法进行有利的。

由于其高质量的对象表示和有效的获取方法，3D点云吸引了越来越多的架构，工程和构建的关注。因此，文献中已经提出了许多点云特征检测方法来自动化一些工作流，例如它们的分类或部分分割。然而，点云自动化系统的性能显着落后于图像对应物。尽管这种故障的一部分源于云云的不规则性，非结构性和混乱，这使得云特征检测的任务比图像一项更具挑战性，但我们认为，图像域缺乏灵感可能是主要的。这种差距的原因。确实，鉴于图像特征检测中卷积神经网络（CNN）的压倒性成功，设计其点云对应物似乎是合理的，但是所提出的方法都不类似于它们。具体而言，即使许多方法概括了点云中的卷积操作，但它们也无法模仿CNN的多种功能检测和汇总操作。因此，我们提出了一个基于图卷积的单元，称为收缩单元，可以垂直和水平堆叠，以设计类似CNN的3D点云提取器。鉴于点云中点之间的自我，局部和全局相关性传达了至关重要的空间几何信息，因此我们在特征提取过程中还利用它们。我们通过为ModelNet-10基准数据集设计功能提取器模型来评估我们的建议，并达到90.64％的分类精度，表明我们的创新想法是有效的。我们的代码可在github.com/albertotamajo/shrinking-unit上获得。

Convolutional Neural Networks (CNNs) achieve impressive performance in a wide variety of fields. Their success benefited from a massive boost when very deep CNN models were able to be reliably trained. Despite their merits, CNNs fail to properly address problems with non-Euclidean data. To overcome this challenge, Graph Convolutional Networks (GCNs) build graphs to represent non-Euclidean data, borrow concepts from CNNs, and apply them in training. GCNs show promising results, but they are usually limited to very shallow models due to the vanishing gradient problem (see Figure 1). As a result, most state-of-the-art GCN models are no deeper than 3 or 4 layers. In this work, we present new ways to successfully train very deep GCNs. We do this by borrowing concepts from CNNs, specifically residual/dense connections and dilated convolutions, and adapting them to GCN architectures. Extensive experiments show the positive effect of these deep GCN frameworks. Finally, we use these new concepts to build a very deep 56-layer GCN, and show how it significantly boosts performance (+3.7% mIoU over state-of-the-art) in the task of point cloud semantic segmentation. We believe that the community can greatly benefit from this work, as it opens up many opportunities for advancing GCN-based research.

我们提出了一种新型的图形神经网络（GNN）方法，用于高通量显微镜视频中的细胞跟踪。通过将整个延时序列建模为直接图，其中细胞实例由其节点及其边缘表示，我们通过查找图中的最大路径来提取整个细胞轨迹。这是由纳入端到端深度学习框架中的几个关键贡献来完成的。我们利用深度度量学习算法来提取细胞特征向量，以区分不同生物细胞的实例并组装相同的细胞实例。我们引入了一种新的GNN块类型，该类型可以对节点和边缘特征向量进行相互更新，从而促进基础消息传递过程。消息传递概念的范围由GNN块的数量确定，这是至关重要的，因为它可以在连续的框架中实现节点和边缘之间的“节点和边缘”之间的“流动”。最后，我们解决了边缘分类问题，并使用已确定的活动边缘来构建单元格的轨道和谱系树。我们通过将其应用于不同细胞类型，成像设置和实验条件的2D和3D数据集，来证明所提出的细胞跟踪方法的强度。我们表明，我们的框架在大多数评估的数据集上都优于当前最新方法。该代码可在我们的存储库中获得：https：//github.com/talbenha/cell-tracker-gnn。

了解晕星连接是基本的，以提高我们对暗物质的性质和性质的知识。在这项工作中，我们构建一个模型，鉴于IT主机的星系的位置，速度，恒星群体和半径的位置。为了捕获来自星系属性的相关性及其相位空间的相关信息，我们使用图形神经网络（GNN），该网络设计用于使用不规则和稀疏数据。我们从宇宙学和天体物理学中培训了我们在Galaxies上的模型，从宇宙学和天体物理学与机器学习模拟（骆驼）项目。我们的模型，占宇宙学和天体物理的不确定性，能够用$ \ SIM 0.2欧元的准确度来限制晕群。此外，在一套模拟上培训的GNN能够在用利用不同的代码的模拟上进行测试时保留其精度的一部分精度。 GNN的Pytorch几何实现在HTTPS://github.com/pablovd/halographnet上公开可用于github上

Graph Neural Networks (GNNs) are an effective framework for representation learning of graphs. GNNs follow a neighborhood aggregation scheme, where the representation vector of a node is computed by recursively aggregating and transforming representation vectors of its neighboring nodes. Many GNN variants have been proposed and have achieved state-of-the-art results on both node and graph classification tasks. However, despite GNNs revolutionizing graph representation learning, there is limited understanding of their representational properties and limitations. Here, we present a theoretical framework for analyzing the expressive power of GNNs to capture different graph structures. Our results characterize the discriminative power of popular GNN variants, such as Graph Convolutional Networks and GraphSAGE, and show that they cannot learn to distinguish certain simple graph structures. We then develop a simple architecture that is provably the most expressive among the class of GNNs and is as powerful as the Weisfeiler-Lehman graph isomorphism test. We empirically validate our theoretical findings on a number of graph classification benchmarks, and demonstrate that our model achieves state-of-the-art performance. * Equal contribution. † Work partially performed while in Tokyo, visiting Prof. Ken-ichi Kawarabayashi.