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Graph matching plays a central role in such fields as computer vision, pattern recognition, and bioinformatics. Graph matching problems can be cast as two types of quadratic assignment problems (QAPs): Koopmans-Beckmanns QAP or Lawlers QAP. In our paper, we provide a unifying view for these two problems by introducing new rules for array operations in Hilbert spaces. Consequently, Lawlers QAP can be considered as the Koopmans-Beckmanns alignment between two arrays in reproducing kernel Hilbert spaces (RKHS), making it possible to efficiently solve the problem without computing a huge affinity matrix. Furthermore, we develop the entropy-regularized Frank-Wolfe (EnFW) algorithm for optimizing QAPs, which has the same convergence rate as the original FW algorithm while dramatically reducing the computational burden for each outer iteration. We conduct extensive experiments to evaluate our approach, and show that our algorithm significantly outperforms the state-of-the-art in both matching accuracy and scalability.
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We consider online learning for minimizing regret in unknown, episodic Markov decision processes (MDPs) with continuous states and actions. We develop variants of the UCRL and posterior sampling algorithms that employ nonparametric Gaussian process priors to generalize across the state and action spaces. When the transition and reward functions of the true MDP are members of the associated Reproducing Kernel Hilbert Spaces of functions induced by symmetric psd kernels (frequentist setting), we show that the algorithms enjoy sublinear regret bounds. The bounds are in terms of explicit structural parameters of the kernels, namely a novel generalization of the information gain metric from kernelized bandit, and highlight the influence of transition and reward function structure on the learning performance. Our results are applicable to multidimensional state and action spaces with composite kernel structures, and generalize results from the literature on kernelized bandits, and the adaptive control of parametric linear dynamical systems with quadratic costs.
We develop algorithms with low regret for learning episodic Markov decision processes based on kernel approximation techniques. The algorithms are based on both the Upper Confidence Bound (UCB) as well as Posterior or Thompson Sampling (PSRL) philosophies, and work in the general setting of continuous state and action spaces when the true unknown transition dynamics are assumed to have smoothness induced by an appropriate Reproducing Kernel Hilbert Space (RKHS).
Recent works leveraging Graph Neural Networks to approach graph matching tasks have shown promising results. Recent progress in learning discrete distributions poses new opportunities for learning graph matching models. In this work, we propose a new model, Stochastic Iterative Graph MAtching (SIGMA), to address the graph matching problem. Our model defines a distribution of matchings for a graph pair so the model can explore a wide range of possible matchings. We further introduce a novel multi-step matching procedure, which learns how to refine a graph pairs matching results incrementally. The model also includes dummy nodes so that the model does not have to find matchings for nodes without correspondence. We fit this model to data via scalable stochastic optimization. We conduct extensive experiments across synthetic graph datasets as well as biochemistry and computer vision applications. Across all tasks, our results show that SIGMA can produce significantly improved graph matching results compared to state-of-the-art models. Ablation studies verify that each of our components (stochastic training, iterative matching, and dummy nodes) offers noticeable improvement.
While the celebrated graph neural networks yield effective representations for individual nodes of a graph, there has been relatively less success in extending to the task of graph similarity learning. Recent work on graph similarity learning has considered either global-level graph-graph interactions or low-level node-node interactions, however ignoring the rich cross-level interactions (e.g., between each node of one graph and the other whole graph). In this paper, we propose a multi-level graph matching network (MGMN) framework for computing the graph similarity between any pair of graph-structured objects in an end-to-end fashion. In particular, the proposed MGMN consists of a node-graph matching network for effectively learning cross-level interactions between each node of one graph and the other whole graph, and a siamese graph neural network to learn global-level interactions between two input graphs. Furthermore, to compensate for the lack of standard benchmark datasets, we have created and collected a set of datasets for both the graph-graph classification and graph-graph regression tasks with different sizes in order to evaluate the effectiveness and robustness of our models. Comprehensive experiments demonstrate that MGMN consistently outperforms state-of-the-art baseline models on both the graph-graph classification and graph-graph regression tasks. Compared with previous work, MGMN also exhibits stronger robustness as the sizes of the two input graphs increase.
Autoregressive models use chain rule to define a joint probability distribution as a product of conditionals. These conditionals need to be normalized, imposing constraints on the functional families that can be used. To increase flexibility, we propose autoregressive conditional score models (AR-CSM) where we parameterize the joint distribution in terms of the derivatives of univariate log-conditionals (scores), which need not be normalized. To train AR-CSM, we introduce a new divergence between distributions named Composite Score Matching (CSM). For AR-CSM models, this divergence between data and model distributions can be computed and optimized efficiently, requiring no expensive sampling or adversarial training. Compared to previous score matching algorithms, our method is more scalable to high dimensional data and more stable to optimize. We show with extensive experimental results that it can be applied to density estimation on synthetic data, image generation, image denoising, and training latent variable models with implicit encoders.
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