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We consider a decentralized optimization problem for networks affected by communication delays. Examples of such networks include collaborative machine learning, sensor networks, and multi-agent systems. To mimic communication delays, we add virtual non-computing nodes to the network, resulting in directed graphs. This motivates investigating decentralized optimization solutions on directed graphs. Existing solutions assume nodes know their out-degrees, resulting in limited applicability. To overcome this limitation, we introduce a novel gossip-based algorithm, called DT-GO, that does not need to know the out-degrees. The algorithm is applicable in general directed networks, for example networks with delays or limited acknowledgment capabilities. We derive convergence rates for both convex and non-convex objectives, showing that our algorithm achieves the same complexity order as centralized Stochastic Gradient Descent. In other words, the effects of the graph topology and delays are confined to higher-order terms. Additionally, we extend our analysis to accommodate time-varying network topologies. Numerical simulations are provided to support our theoretical findings.

Given a graph $G = (V, E)$ and a model of information flow on that network, a fundamental question is to understand whether all nodes have sufficient access to information generated at other nodes in the graph. If not, we can ask if a small set of interventions in the form of edge additions improve information access. Formally, the broadcast value of a network is defined to be the minimum over pairs $u,v \in V$ of the probability that an information cascade starting at $u$ reaches $v$. Having a high broadcast value ensures that every node has sufficient access to information spreading in a network, thus quantifying fairness of access. In this paper, we formally study the Broadcast Improvement problem: given $G$ and a parameter $k$, the goal is to find the best set of $k$ edges to add to $G$ in order to maximize the broadcast value of the resulting graph. We develop efficient approximation algorithms for this problem. If the optimal solution adds $k$ edges and achieves a broadcast of $\beta^*$, we develop algorithms that can (a) add $k$ edges and achieve a broadcast value roughly $(\beta^*)^4/16^k$, or (b) add $O(k\log n)$ edges and achieve a broadcast roughly $\beta^*$. We also provide other trade-offs that can be better depending on the parameter values. Our algorithms rely on novel probabilistic tools to reason about the existence of paths in edge-sampled graphs, and extend to a single-source variant of the problem, where we obtain analogous algorithmic results. We complement our results by proving that unless P = NP, any algorithm that adds $O(k)$ edges must lose significantly in the approximation of $\beta^*$, resolving an open question from prior work.

We present a distributed quasi-Newton (DQN) method, which enables a group of agents to compute an optimal solution of a separable multi-agent optimization problem locally using an approximation of the curvature of the aggregate objective function. Each agent computes a descent direction from its local estimate of the aggregate Hessian, obtained from quasi-Newton approximation schemes using the gradient of its local objective function. Moreover, we introduce a distributed quasi-Newton method for equality-constrained optimization (EC-DQN), where each agent takes Karush-Kuhn-Tucker-like update steps to compute an optimal solution. In our algorithms, each agent communicates with its one-hop neighbors over a peer-to-peer communication network to compute a common solution. We prove convergence of our algorithms to a stationary point of the optimization problem. In addition, we demonstrate the competitive empirical convergence of our algorithm in both well-conditioned and ill-conditioned optimization problems, in terms of the computation time and communication cost incurred by each agent for convergence, compared to existing distributed first-order and second-order methods. Particularly, in ill-conditioned problems, our algorithms achieve a faster computation time for convergence, while requiring a lower communication cost, across a range of communication networks with different degrees of connectedness.

We consider the problem of explaining the predictions of graph neural networks (GNNs), which otherwise are considered as black boxes. Existing methods invariably focus on explaining the importance of graph nodes or edges but ignore the substructures of graphs, which are more intuitive and human-intelligible. In this work, we propose a novel method, known as SubgraphX, to explain GNNs by identifying important subgraphs. Given a trained GNN model and an input graph, our SubgraphX explains its predictions by efficiently exploring different subgraphs with Monte Carlo tree search. To make the tree search more effective, we propose to use Shapley values as a measure of subgraph importance, which can also capture the interactions among different subgraphs. To expedite computations, we propose efficient approximation schemes to compute Shapley values for graph data. Our work represents the first attempt to explain GNNs via identifying subgraphs explicitly and directly. Experimental results show that our SubgraphX achieves significantly improved explanations, while keeping computations at a reasonable level.

Approaches based on deep neural networks have achieved striking performance when testing data and training data share similar distribution, but can significantly fail otherwise. Therefore, eliminating the impact of distribution shifts between training and testing data is crucial for building performance-promising deep models. Conventional methods assume either the known heterogeneity of training data (e.g. domain labels) or the approximately equal capacities of different domains. In this paper, we consider a more challenging case where neither of the above assumptions holds. We propose to address this problem by removing the dependencies between features via learning weights for training samples, which helps deep models get rid of spurious correlations and, in turn, concentrate more on the true connection between discriminative features and labels. Extensive experiments clearly demonstrate the effectiveness of our method on multiple distribution generalization benchmarks compared with state-of-the-art counterparts. Through extensive experiments on distribution generalization benchmarks including PACS, VLCS, MNIST-M, and NICO, we show the effectiveness of our method compared with state-of-the-art counterparts.

Graph neural networks (GNNs) have emerged as a powerful paradigm for embedding-based entity alignment due to their capability of identifying isomorphic subgraphs. However, in real knowledge graphs (KGs), the counterpart entities usually have non-isomorphic neighborhood structures, which easily causes GNNs to yield different representations for them. To tackle this problem, we propose a new KG alignment network, namely AliNet, aiming at mitigating the non-isomorphism of neighborhood structures in an end-to-end manner. As the direct neighbors of counterpart entities are usually dissimilar due to the schema heterogeneity, AliNet introduces distant neighbors to expand the overlap between their neighborhood structures. It employs an attention mechanism to highlight helpful distant neighbors and reduce noises. Then, it controls the aggregation of both direct and distant neighborhood information using a gating mechanism. We further propose a relation loss to refine entity representations. We perform thorough experiments with detailed ablation studies and analyses on five entity alignment datasets, demonstrating the effectiveness of AliNet.

Embedding entities and relations into a continuous multi-dimensional vector space have become the dominant method for knowledge graph embedding in representation learning. However, most existing models ignore to represent hierarchical knowledge, such as the similarities and dissimilarities of entities in one domain. We proposed to learn a Domain Representations over existing knowledge graph embedding models, such that entities that have similar attributes are organized into the same domain. Such hierarchical knowledge of domains can give further evidence in link prediction. Experimental results show that domain embeddings give a significant improvement over the most recent state-of-art baseline knowledge graph embedding models.

Graph neural networks (GNNs) are a popular class of machine learning models whose major advantage is their ability to incorporate a sparse and discrete dependency structure between data points. Unfortunately, GNNs can only be used when such a graph-structure is available. In practice, however, real-world graphs are often noisy and incomplete or might not be available at all. With this work, we propose to jointly learn the graph structure and the parameters of graph convolutional networks (GCNs) by approximately solving a bilevel program that learns a discrete probability distribution on the edges of the graph. This allows one to apply GCNs not only in scenarios where the given graph is incomplete or corrupted but also in those where a graph is not available. We conduct a series of experiments that analyze the behavior of the proposed method and demonstrate that it outperforms related methods by a significant margin.

Dynamic programming (DP) solves a variety of structured combinatorial problems by iteratively breaking them down into smaller subproblems. In spite of their versatility, DP algorithms are usually non-differentiable, which hampers their use as a layer in neural networks trained by backpropagation. To address this issue, we propose to smooth the max operator in the dynamic programming recursion, using a strongly convex regularizer. This allows to relax both the optimal value and solution of the original combinatorial problem, and turns a broad class of DP algorithms into differentiable operators. Theoretically, we provide a new probabilistic perspective on backpropagating through these DP operators, and relate them to inference in graphical models. We derive two particular instantiations of our framework, a smoothed Viterbi algorithm for sequence prediction and a smoothed DTW algorithm for time-series alignment. We showcase these instantiations on two structured prediction tasks and on structured and sparse attention for neural machine translation.

Multi-relation Question Answering is a challenging task, due to the requirement of elaborated analysis on questions and reasoning over multiple fact triples in knowledge base. In this paper, we present a novel model called Interpretable Reasoning Network that employs an interpretable, hop-by-hop reasoning process for question answering. The model dynamically decides which part of an input question should be analyzed at each hop; predicts a relation that corresponds to the current parsed results; utilizes the predicted relation to update the question representation and the state of the reasoning process; and then drives the next-hop reasoning. Experiments show that our model yields state-of-the-art results on two datasets. More interestingly, the model can offer traceable and observable intermediate predictions for reasoning analysis and failure diagnosis.