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Several recent works use positional encodings to extend the receptive fields of graph neural network (GNN) layers equipped with attention mechanisms. These techniques, however, extend receptive fields to the complete graph, at substantial computational cost and risking a change in the inductive biases of conventional GNNs, or require complex architecture adjustments. As a conservative alternative, we use positional encodings to expand receptive fields to $r$-hop neighborhoods. More specifically, our method augments the input graph with additional nodes/edges and uses positional encodings as node and/or edge features. We thus modify graphs before inputting them to a downstream GNN model, instead of modifying the model itself. This makes our method model-agnostic, i.e., compatible with any of the existing GNN architectures. We also provide examples of positional encodings that are lossless with a one-to-one map between the original and the modified graphs. We demonstrate that extending receptive fields via positional encodings and a virtual fully-connected node significantly improves GNN performance and alleviates over-squashing using small $r$. We obtain improvements on a variety of models and datasets and reach competitive performance using traditional GNNs or graph Transformers.

Finding a minimum vertex cover in a network is a fundamental NP-complete graph problem. One way to deal with its computational hardness, is to trade the qualitative performance of an algorithm (allowing non-optimal outputs) for an improved running time. For the vertex cover problem, there is a gap between theory and practice when it comes to understanding this tradeoff. On the one hand, it is known that it is NP-hard to approximate a minimum vertex cover within a factor of $\sqrt{2}$. On the other hand, a simple greedy algorithm yields close to optimal approximations in practice. A promising approach towards understanding this discrepancy is to recognize the differences between theoretical worst-case instances and real-world networks. Following this direction, we close the gap between theory and practice by providing an algorithm that efficiently computes nearly optimal vertex cover approximations on hyperbolic random graphs; a network model that closely resembles real-world networks in terms of degree distribution, clustering, and the small-world property. More precisely, our algorithm computes a $(1 + o(1))$-approximation, asymptotically almost surely, and has a running time of $\mathcal{O}(m \log(n))$. The proposed algorithm is an adaptation of the successful greedy approach, enhanced with a procedure that improves on parts of the graph where greedy is not optimal. This makes it possible to introduce a parameter that can be used to tune the tradeoff between approximation performance and running time. Our empirical evaluation on real-world networks shows that this allows for improving over the near-optimal results of the greedy approach.

Recently, graph neural networks (GNNs) have been widely used for document classification. However, most existing methods are based on static word co-occurrence graphs without sentence-level information, which poses three challenges:(1) word ambiguity, (2) word synonymity, and (3) dynamic contextual dependency. To address these challenges, we propose a novel GNN-based sparse structure learning model for inductive document classification. Specifically, a document-level graph is initially generated by a disjoint union of sentence-level word co-occurrence graphs. Our model collects a set of trainable edges connecting disjoint words between sentences and employs structure learning to sparsely select edges with dynamic contextual dependencies. Graphs with sparse structures can jointly exploit local and global contextual information in documents through GNNs. For inductive learning, the refined document graph is further fed into a general readout function for graph-level classification and optimization in an end-to-end manner. Extensive experiments on several real-world datasets demonstrate that the proposed model outperforms most state-of-the-art results, and reveal the necessity to learn sparse structures for each document.

One principal approach for illuminating a black-box neural network is feature attribution, i.e. identifying the importance of input features for the network's prediction. The predictive information of features is recently proposed as a proxy for the measure of their importance. So far, the predictive information is only identified for latent features by placing an information bottleneck within the network. We propose a method to identify features with predictive information in the input domain. The method results in fine-grained identification of input features' information and is agnostic to network architecture. The core idea of our method is leveraging a bottleneck on the input that only lets input features associated with predictive latent features pass through. We compare our method with several feature attribution methods using mainstream feature attribution evaluation experiments. The code is publicly available.

Most recent semantic segmentation methods adopt a fully-convolutional network (FCN) with an encoder-decoder architecture. The encoder progressively reduces the spatial resolution and learns more abstract/semantic visual concepts with larger receptive fields. Since context modeling is critical for segmentation, the latest efforts have been focused on increasing the receptive field, through either dilated/atrous convolutions or inserting attention modules. However, the encoder-decoder based FCN architecture remains unchanged. In this paper, we aim to provide an alternative perspective by treating semantic segmentation as a sequence-to-sequence prediction task. Specifically, we deploy a pure transformer (ie, without convolution and resolution reduction) to encode an image as a sequence of patches. With the global context modeled in every layer of the transformer, this encoder can be combined with a simple decoder to provide a powerful segmentation model, termed SEgmentation TRansformer (SETR). Extensive experiments show that SETR achieves new state of the art on ADE20K (50.28% mIoU), Pascal Context (55.83% mIoU) and competitive results on Cityscapes. Particularly, we achieve the first (44.42% mIoU) position in the highly competitive ADE20K test server leaderboard.

Spectral clustering (SC) is a popular clustering technique to find strongly connected communities on a graph. SC can be used in Graph Neural Networks (GNNs) to implement pooling operations that aggregate nodes belonging to the same cluster. However, the eigendecomposition of the Laplacian is expensive and, since clustering results are graph-specific, pooling methods based on SC must perform a new optimization for each new sample. In this paper, we propose a graph clustering approach that addresses these limitations of SC. We formulate a continuous relaxation of the normalized minCUT problem and train a GNN to compute cluster assignments that minimize this objective. Our GNN-based implementation is differentiable, does not require to compute the spectral decomposition, and learns a clustering function that can be quickly evaluated on out-of-sample graphs. From the proposed clustering method, we design a graph pooling operator that overcomes some important limitations of state-of-the-art graph pooling techniques and achieves the best performance in several supervised and unsupervised tasks.

There has been appreciable progress in unsupervised network representation learning (UNRL) approaches over graphs recently with flexible random-walk approaches, new optimization objectives and deep architectures. However, there is no common ground for systematic comparison of embeddings to understand their behavior for different graphs and tasks. In this paper we theoretically group different approaches under a unifying framework and empirically investigate the effectiveness of different network representation methods. In particular, we argue that most of the UNRL approaches either explicitly or implicit model and exploit context information of a node. Consequently, we propose a framework that casts a variety of approaches -- random walk based, matrix factorization and deep learning based -- into a unified context-based optimization function. We systematically group the methods based on their similarities and differences. We study the differences among these methods in detail which we later use to explain their performance differences (on downstream tasks). We conduct a large-scale empirical study considering 9 popular and recent UNRL techniques and 11 real-world datasets with varying structural properties and two common tasks -- node classification and link prediction. We find that there is no single method that is a clear winner and that the choice of a suitable method is dictated by certain properties of the embedding methods, task and structural properties of the underlying graph. In addition we also report the common pitfalls in evaluation of UNRL methods and come up with suggestions for experimental design and interpretation of results.

Recently, graph neural networks (GNNs) have revolutionized the field of graph representation learning through effectively learned node embeddings, and achieved state-of-the-art results in tasks such as node classification and link prediction. However, current GNN methods are inherently flat and do not learn hierarchical representations of graphs---a limitation that is especially problematic for the task of graph classification, where the goal is to predict the label associated with an entire graph. Here we propose DiffPool, a differentiable graph pooling module that can generate hierarchical representations of graphs and can be combined with various graph neural network architectures in an end-to-end fashion. DiffPool learns a differentiable soft cluster assignment for nodes at each layer of a deep GNN, mapping nodes to a set of clusters, which then form the coarsened input for the next GNN layer. Our experimental results show that combining existing GNN methods with DiffPool yields an average improvement of 5-10% accuracy on graph classification benchmarks, compared to all existing pooling approaches, achieving a new state-of-the-art on four out of five benchmark data sets.

Convolutional networks (ConvNets) have achieved great successes in various challenging vision tasks. However, the performance of ConvNets would degrade when encountering the domain shift. The domain adaptation is more significant while challenging in the field of biomedical image analysis, where cross-modality data have largely different distributions. Given that annotating the medical data is especially expensive, the supervised transfer learning approaches are not quite optimal. In this paper, we propose an unsupervised domain adaptation framework with adversarial learning for cross-modality biomedical image segmentations. Specifically, our model is based on a dilated fully convolutional network for pixel-wise prediction. Moreover, we build a plug-and-play domain adaptation module (DAM) to map the target input to features which are aligned with source domain feature space. A domain critic module (DCM) is set up for discriminating the feature space of both domains. We optimize the DAM and DCM via an adversarial loss without using any target domain label. Our proposed method is validated by adapting a ConvNet trained with MRI images to unpaired CT data for cardiac structures segmentations, and achieved very promising results.