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textit{Attention} computes the dependency between representations, and it encourages the model to focus on the important selective features. Attention-based models, such as Transformer and graph attention network (GAT), are widely utilized for sequential data and graph-structured data. This paper suggests a new interpretation and generalized structure of the attention in Transformer and GAT. For the attention in Transformer and GAT, we derive that the attention is a product of two parts: 1) the RBF kernel to measure the similarity of two instances and 2) the exponential of $L^{2}$ norm to compute the importance of individual instances. From this decomposition, we generalize the attention in three ways. First, we propose implicit kernel attention with an implicit kernel function instead of manual kernel selection. Second, we generalize $L^{2}$ norm as the $L^{p}$ norm. Third, we extend our attention to structured multi-head attention. Our generalized attention shows better performance on classification, translation, and regression tasks.
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We introduce a new class of graph neural networks (GNNs), by combining several concepts that were so far studied independently - graph kernels, attention-based networks with structural priors and more recently, efficient Transformers architectures applying small memory footprint implicit attention methods via low rank decomposition techniques. The goal of the paper is twofold. Proposed by us Graph Kernel Attention Transformers (or GKATs) are much more expressive than SOTA GNNs as capable of modeling longer-range dependencies within a single layer. Consequently, they can use more shallow architecture design. Furthermore, GKAT attention layers scale linearly rather than quadratically in the number of nodes of the input graphs, even when those graphs are dense, requiring less compute than their regular graph attention counterparts. They achieve it by applying new classes of graph kernels admitting random feature map decomposition via random walks on graphs. As a byproduct of the introduced techniques, we obtain a new class of learnable graph sketches, called graphots, compactly encoding topological graph properties as well as nodes features. We conducted exhaustive empirical comparison of our method with nine different GNN classes on tasks ranging from motif detection through social network classification to bioinformatics challenges, showing consistent gains coming from GKATs.
There has recently been significant interest in training reinforcement learning (RL) agents in vision-based environments. This poses many challenges, such as high dimensionality and potential for observational overfitting through spurious correlations. A promising approach to solve both of these problems is a self-attention bottleneck, which provides a simple and effective framework for learning high performing policies, even in the presence of distractions. However, due to poor scalability of attention architectures, these methods do not scale beyond low resolution visual inputs, using large patches (thus small attention matrices). In this paper we make use of new efficient attention algorithms, recently shown to be highly effective for Transformers, and demonstrate that these new techniques can be applied in the RL setting. This allows our attention-based controllers to scale to larger visual inputs, and facilitate the use of smaller patches, even individual pixels, improving generalization. In addition, we propose a new efficient algorithm approximating softmax attention with what we call hybrid random features, leveraging the theory of angular kernels. We show theoretically and empirically that hybrid random features is a promising approach when using attention for vision-based RL.
To improve the sample efficiency of policy-gradient based reinforcement learning algorithms, we propose implicit distributional actor-critic (IDAC) that consists of a distributional critic, built on two deep generator networks (DGNs), and a semi-implicit actor (SIA), powered by a flexible policy distribution. We adopt a distributional perspective on the discounted cumulative return and model it with a state-action-dependent implicit distribution, which is approximated by the DGNs that take state-action pairs and random noises as their input. Moreover, we use the SIA to provide a semi-implicit policy distribution, which mixes the policy parameters with a reparameterizable distribution that is not constrained by an analytic density function. In this way, the policys marginal distribution is implicit, providing the potential to model complex properties such as covariance structure and skewness, but its parameter and entropy can still be estimated. We incorporate these features with an off-policy algorithm framework to solve problems with continuous action space and compare IDAC with state-of-the-art algorithms on representative OpenAI Gym environments. We observe that IDAC outperforms these baselines in most tasks. Python code is provided.
Graph Neural Networks (GNNs) are widely used deep learning models that learn meaningful representations from graph-structured data. Due to the finite nature of the underlying recurrent structure, current GNN methods may struggle to capture long-range dependencies in underlying graphs. To overcome this difficulty, we propose a graph learning framework, called Implicit Graph Neural Networks (IGNN), where predictions are based on the solution of a fixed-point equilibrium equation involving implicitly defined state vectors. We use the Perron-Frobenius theory to derive sufficient conditions that ensure well-posedness of the framework. Leveraging implicit differentiation, we derive a tractable projected gradient descent method to train the framework. Experiments on a comprehensive range of tasks show that IGNNs consistently capture long-range dependencies and outperform the state-of-the-art GNN models.
Canonical Correlation Analysis (CCA) is a classic technique for multi-view data analysis. To overcome the deficiency of linear correlation in practical multi-view learning tasks, various CCA variants were proposed to capture nonlinear dependency. However, it is non-trivial to have an in-principle understanding of these variants due to their inherent restrictive assumption on the data and latent code distributions. Although some works have studied probabilistic interpretation for CCA, these models still require the explicit form of the distributions to achieve a tractable solution for the inference. In this work, we study probabilistic interpretation for CCA based on implicit distributions. We present Conditional Mutual Information (CMI) as a new criterion for CCA to consider both linear and nonlinear dependency for arbitrarily distributed data. To eliminate direct estimation for CMI, in which explicit form of the distributions is still required, we derive an objective which can provide an estimation for CMI with efficient inference methods. To facilitate Bayesian inference of multi-view analysis, we propose Adversarial CCA (ACCA), which achieves consistent encoding for multi-view data with the consistent constraint imposed on the marginalization of the implicit posteriors. Such a model would achieve superiority in the alignment of the multi-view data with implicit distributions. It is interesting to note that most of the existing CCA variants can be connected with our proposed CCA model by assigning specific form for the posterior and likelihood distributions. Extensive experiments on nonlinear correlation analysis and cross-view generation on benchmark and real-world datasets demonstrate the superiority of our model.
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