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Graph Machine Learning (GML) has numerous applications, such as node/graph classification and link prediction, in real-world domains. Providing human-understandable explanations for GML models is a challenging yet fundamental task to foster their adoption, but validating explanations for link prediction models has received little attention. In this paper, we provide quantitative metrics to assess the quality of link prediction explanations, with or without ground-truth. State-of-the-art explainability methods for Graph Neural Networks are evaluated using these metrics. We discuss how underlying assumptions and technical details specific to the link prediction task, such as the choice of distance between node embeddings, can influence the quality of the explanations.

相關內容

網絡(luo)中(zhong)的(de)(de)鏈(lian)路預(yu)(yu)測(Link Prediction)是指如何通過已知的(de)(de)網絡(luo)節(jie)點以及網絡(luo)結構等信息預(yu)(yu)測網絡(luo)中(zhong)尚(shang)未(wei)產生連邊的(de)(de)兩個節(jie)點之間產生鏈(lian)接(jie)(jie)的(de)(de)可能性(xing)。這(zhe)種(zhong)預(yu)(yu)測既包(bao)含了對(dui)未(wei)知鏈(lian)接(jie)(jie)(exist yet unknown links)的(de)(de)預(yu)(yu)測也包(bao)含了對(dui)未(wei)來鏈(lian)接(jie)(jie)(future links)的(de)(de)預(yu)(yu)測。該(gai)問題(ti)的(de)(de)研究在理論和(he)應用兩個方面都(dou)具有重要的(de)(de)意(yi)義(yi)和(he)價(jia)值 。

Reversible CCS (RCCS) is a well-established, formal model for reversible communicating systems, which has been built on top of the classical Calculus of Communicating Systems (CCS). In its original formulation, each CCS process is equipped with a memory that records its performed actions, which is then used to reverse computations. More recently, abstract models for RCCS have been proposed in the literature, basically, by directly associating RCCS processes with (reversible versions of) event structures. In this paper we propose a different abstract model: starting from one of the well-known encoding of CCS into Petri nets we apply a recently proposed approach to incorporate causally-consistent reversibility to Petri nets, obtaining as result the (reversible) net counterpart of every RCCS term.

Deep Reinforcement Learning (RL) has shown promise in addressing complex robotic challenges. In real-world applications, RL is often accompanied by failsafe controllers as a last resort to avoid catastrophic events. While necessary for safety, these interventions can result in undesirable behaviors, such as abrupt braking or aggressive steering. This paper proposes two safety intervention reduction methods: proactive replacement and proactive projection, which change the action of the agent if it leads to a potential failsafe intervention. These approaches are compared to state-of-the-art constrained RL on the OpenAI safety gym benchmark and a human-robot collaboration task. Our study demonstrates that the combination of our method with provably safe RL leads to high-performing policies with zero safety violations and a low number of failsafe interventions. Our versatile method can be applied to a wide range of real-world robotic tasks, while effectively improving safety without sacrificing task performance.

Sequential recommendation (SRS) has become the technical foundation in many applications recently, which aims to recommend the next item based on the user's historical interactions. However, sequential recommendation often faces the problem of data sparsity, which widely exists in recommender systems. Besides, most users only interact with a few items, but existing SRS models often underperform these users. Such a problem, named the long-tail user problem, is still to be resolved. Data augmentation is a distinct way to alleviate these two problems, but they often need fabricated training strategies or are hindered by poor-quality generated interactions. To address these problems, we propose a Diffusion Augmentation for Sequential Recommendation (DiffuASR) for a higher quality generation. The augmented dataset by DiffuASR can be used to train the sequential recommendation models directly, free from complex training procedures. To make the best of the generation ability of the diffusion model, we first propose a diffusion-based pseudo sequence generation framework to fill the gap between image and sequence generation. Then, a sequential U-Net is designed to adapt the diffusion noise prediction model U-Net to the discrete sequence generation task. At last, we develop two guide strategies to assimilate the preference between generated and origin sequences. To validate the proposed DiffuASR, we conduct extensive experiments on three real-world datasets with three sequential recommendation models. The experimental results illustrate the effectiveness of DiffuASR. As far as we know, DiffuASR is one pioneer that introduce the diffusion model to the recommendation.

As Machine Learning (ML) is increasingly used in solving various tasks in real-world applications, it is crucial to ensure that ML algorithms are robust to any potential worst-case noises, adversarial attacks, and highly unusual situations when they are designed. Studying ML robustness will significantly help in the design of ML algorithms. In this paper, we investigate ML robustness using adversarial training in centralized and decentralized environments, where ML training and testing are conducted in one or multiple computers. In the centralized environment, we achieve a test accuracy of 65.41% and 83.0% when classifying adversarial examples generated by Fast Gradient Sign Method and DeepFool, respectively. Comparing to existing studies, these results demonstrate an improvement of 18.41% for FGSM and 47% for DeepFool. In the decentralized environment, we study Federated learning (FL) robustness by using adversarial training with independent and identically distributed (IID) and non-IID data, respectively, where CIFAR-10 is used in this research. In the IID data case, our experimental results demonstrate that we can achieve such a robust accuracy that it is comparable to the one obtained in the centralized environment. Moreover, in the non-IID data case, the natural accuracy drops from 66.23% to 57.82%, and the robust accuracy decreases by 25% and 23.4% in C&W and Projected Gradient Descent (PGD) attacks, compared to the IID data case, respectively. We further propose an IID data-sharing approach, which allows for increasing the natural accuracy to 85.04% and the robust accuracy from 57% to 72% in C&W attacks and from 59% to 67% in PGD attacks.

Graph Neural Networks (GNNs) have achieved tremendous success in a variety of real-world applications by relying on the fixed graph data as input. However, the initial input graph might not be optimal in terms of specific downstream tasks, because of information scarcity, noise, adversarial attacks, or discrepancies between the distribution in graph topology, features, and groundtruth labels. In this paper, we propose a bi-level optimization approach for learning the optimal graph structure via directly learning the Personalized PageRank propagation matrix as well as the downstream semi-supervised node classification simultaneously. We also explore a low-rank approximation model for further reducing the time complexity. Empirical evaluations show the superior efficacy and robustness of the proposed model over all baseline methods.

Data augmentation has been widely used to improve generalizability of machine learning models. However, comparatively little work studies data augmentation for graphs. This is largely due to the complex, non-Euclidean structure of graphs, which limits possible manipulation operations. Augmentation operations commonly used in vision and language have no analogs for graphs. Our work studies graph data augmentation for graph neural networks (GNNs) in the context of improving semi-supervised node-classification. We discuss practical and theoretical motivations, considerations and strategies for graph data augmentation. Our work shows that neural edge predictors can effectively encode class-homophilic structure to promote intra-class edges and demote inter-class edges in given graph structure, and our main contribution introduces the GAug graph data augmentation framework, which leverages these insights to improve performance in GNN-based node classification via edge prediction. Extensive experiments on multiple benchmarks show that augmentation via GAug improves performance across GNN architectures and datasets.

Graph Neural Networks (GNN) has demonstrated the superior performance in many challenging applications, including the few-shot learning tasks. Despite its powerful capacity to learn and generalize from few samples, GNN usually suffers from severe over-fitting and over-smoothing as the model becomes deep, which limit the model scalability. In this work, we propose a novel Attentive GNN to tackle these challenges, by incorporating a triple-attention mechanism, \ie node self-attention, neighborhood attention, and layer memory attention. We explain why the proposed attentive modules can improve GNN for few-shot learning with theoretical analysis and illustrations. Extensive experiments show that the proposed Attentive GNN outperforms the state-of-the-art GNN-based methods for few-shot learning over the mini-ImageNet and Tiered-ImageNet datasets, with both inductive and transductive settings.

Graph Neural Networks (GNNs) have recently been used for node and graph classification tasks with great success, but GNNs model dependencies among the attributes of nearby neighboring nodes rather than dependencies among observed node labels. In this work, we consider the task of inductive node classification using GNNs in supervised and semi-supervised settings, with the goal of incorporating label dependencies. Because current GNNs are not universal (i.e., most-expressive) graph representations, we propose a general collective learning approach to increase the representation power of any existing GNN. Our framework combines ideas from collective classification with self-supervised learning, and uses a Monte Carlo approach to sampling embeddings for inductive learning across graphs. We evaluate performance on five real-world network datasets and demonstrate consistent, significant improvement in node classification accuracy, for a variety of state-of-the-art GNNs.

Learning latent representations of nodes in graphs is an important and ubiquitous task with widespread applications such as link prediction, node classification, and graph visualization. Previous methods on graph representation learning mainly focus on static graphs, however, many real-world graphs are dynamic and evolve over time. In this paper, we present Dynamic Self-Attention Network (DySAT), a novel neural architecture that operates on dynamic graphs and learns node representations that capture both structural properties and temporal evolutionary patterns. Specifically, DySAT computes node representations by jointly employing self-attention layers along two dimensions: structural neighborhood and temporal dynamics. We conduct link prediction experiments on two classes of graphs: communication networks and bipartite rating networks. Our experimental results show that DySAT has a significant performance gain over several different state-of-the-art graph embedding baselines.

The task of detecting 3D objects in point cloud has a pivotal role in many real-world applications. However, 3D object detection performance is behind that of 2D object detection due to the lack of powerful 3D feature extraction methods. In order to address this issue, we propose to build a 3D backbone network to learn rich 3D feature maps by using sparse 3D CNN operations for 3D object detection in point cloud. The 3D backbone network can inherently learn 3D features from almost raw data without compressing point cloud into multiple 2D images and generate rich feature maps for object detection. The sparse 3D CNN takes full advantages of the sparsity in the 3D point cloud to accelerate computation and save memory, which makes the 3D backbone network achievable. Empirical experiments are conducted on the KITTI benchmark and results show that the proposed method can achieve state-of-the-art performance for 3D object detection.

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