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For prohibitively large-scale Travelling Salesman Problems (TSPs), existing algorithms face big challenges in terms of both computational efficiency and solution quality. To address this issue, we propose a hierarchical destroy-and-repair (HDR) approach, which attempts to improve an initial solution by applying a series of carefully designed destroy-and-repair operations. A key innovative concept is the hierarchical search framework, which recursively fixes partial edges and compresses the input instance into a small-scale TSP under some equivalence guarantee. This neat search framework is able to deliver highly competitive solutions within a reasonable time. Fair comparisons based on nineteen famous large-scale instances (with 10,000 to 10,000,000 cities) show that HDR is highly competitive against existing state-of-the-art TSP algorithms, in terms of both efficiency and solution quality. Notably, on two large instances with 3,162,278 and 10,000,000 cities, HDR breaks the world records (i.e., best-known results regardless of computation time), which were previously achieved by LKH and its variants, while HDR is completely independent of LKH. Finally, ablation studies are performed to certify the importance and validity of the hierarchical search framework.

Spiking Neural Networks (SNNs) are promising energy-efficient models for neuromorphic computing. For training the non-differentiable SNN models, the backpropagation through time (BPTT) with surrogate gradients (SG) method has achieved high performance. However, this method suffers from considerable memory cost and training time during training. In this paper, we propose the Spatial Learning Through Time (SLTT) method that can achieve high performance while greatly improving training efficiency compared with BPTT. First, we show that the backpropagation of SNNs through the temporal domain contributes just a little to the final calculated gradients. Thus, we propose to ignore the unimportant routes in the computational graph during backpropagation. The proposed method reduces the number of scalar multiplications and achieves a small memory occupation that is independent of the total time steps. Furthermore, we propose a variant of SLTT, called SLTT-K, that allows backpropagation only at K time steps, then the required number of scalar multiplications is further reduced and is independent of the total time steps. Experiments on both static and neuromorphic datasets demonstrate superior training efficiency and performance of our SLTT. In particular, our method achieves state-of-the-art accuracy on ImageNet, while the memory cost and training time are reduced by more than 70% and 50%, respectively, compared with BPTT.

Implicit graph neural networks (GNNs) have emerged as a potential approach to enable GNNs to capture long-range dependencies effectively. However, poorly designed implicit GNN layers can experience over-smoothing or may have limited adaptability to learn data geometry, potentially hindering their performance in graph learning problems. To address these issues, we introduce a geometric framework to design implicit graph diffusion layers based on a parameterized graph Laplacian operator. Our framework allows learning the geometry of vertex and edge spaces, as well as the graph gradient operator from data. We further show how implicit GNN layers can be viewed as the fixed-point solution of a Dirichlet energy minimization problem and give conditions under which it may suffer from over-smoothing. To overcome the over-smoothing problem, we design our implicit graph diffusion layer as the solution of a Dirichlet energy minimization problem with constraints on vertex features, enabling it to trade off smoothing with the preservation of node feature information. With an appropriate hyperparameter set to be larger than the largest eigenvalue of the parameterized graph Laplacian, our framework guarantees a unique equilibrium and quick convergence. Our models demonstrate better performance than leading implicit and explicit GNNs on benchmark datasets for node and graph classification tasks, with substantial accuracy improvements observed for some datasets.

We introduce an intrinsic estimator for the scalar curvature of a data set presented as a finite metric space. Our estimator depends only on the metric structure of the data and not on an embedding in $\mathbb{R}^n$. We show that the estimator is consistent in the sense that for points sampled from a probability measure on a compact Riemannian manifold, the estimator converges to the scalar curvature as the number of points increases. To justify its use in applications, we show that the estimator is stable with respect to perturbations of the metric structure, e.g., noise in the sample or error estimating the intrinsic metric. We validate our estimator experimentally on synthetic data that is sampled from manifolds with specified curvature.

We explore the information geometry and asymptotic behaviour of estimators for Kronecker-structured covariances, in both growing-$n$ and growing-$p$ scenarios, with a focus towards examining the quadratic form or partial trace estimator proposed by Linton and Tang. It is shown that the partial trace estimator is asymptotically inefficient An explanation for this inefficiency is that the partial trace estimator does not scale sub-blocks of the sample covariance matrix optimally. To correct for this, an asymptotically efficient, rescaled partial trace estimator is proposed. Motivated by this rescaling, we introduce an orthogonal parameterization for the set of Kronecker covariances. High-dimensional consistency results using the partial trace estimator are obtained that demonstrate a blessing of dimensionality. In settings where an array has at least order three, it is shown that as the array dimensions jointly increase, it is possible to consistently estimate the Kronecker covariance matrix, even when the sample size is one.

Graph Neural Networks (GNNs) are widely used for analyzing graph-structured data. Most GNN methods are highly sensitive to the quality of graph structures and usually require a perfect graph structure for learning informative embeddings. However, the pervasiveness of noise in graphs necessitates learning robust representations for real-world problems. To improve the robustness of GNN models, many studies have been proposed around the central concept of Graph Structure Learning (GSL), which aims to jointly learn an optimized graph structure and corresponding representations. Towards this end, in the presented survey, we broadly review recent progress of GSL methods for learning robust representations. Specifically, we first formulate a general paradigm of GSL, and then review state-of-the-art methods classified by how they model graph structures, followed by applications that incorporate the idea of GSL in other graph tasks. Finally, we point out some issues in current studies and discuss future directions.

Graph Neural Networks (GNNs) have recently become increasingly popular due to their ability to learn complex systems of relations or interactions arising in a broad spectrum of problems ranging from biology and particle physics to social networks and recommendation systems. Despite the plethora of different models for deep learning on graphs, few approaches have been proposed thus far for dealing with graphs that present some sort of dynamic nature (e.g. evolving features or connectivity over time). In this paper, we present Temporal Graph Networks (TGNs), a generic, efficient framework for deep learning on dynamic graphs represented as sequences of timed events. Thanks to a novel combination of memory modules and graph-based operators, TGNs are able to significantly outperform previous approaches being at the same time more computationally efficient. We furthermore show that several previous models for learning on dynamic graphs can be cast as specific instances of our framework. We perform a detailed ablation study of different components of our framework and devise the best configuration that achieves state-of-the-art performance on several transductive and inductive prediction tasks for dynamic graphs.

External knowledge is often useful for natural language understanding tasks. We introduce a contextual text representation model called Conceptual-Contextual (CC) embeddings, which incorporates structured knowledge into text representations. Unlike entity embedding methods, our approach encodes a knowledge graph into a context model. CC embeddings can be easily reused for a wide range of tasks just like pre-trained language models. Our model effectively encodes the huge UMLS database by leveraging semantic generalizability. Experiments on electronic health records (EHRs) and medical text processing benchmarks showed our model gives a major boost to the performance of supervised medical NLP tasks.

Knowledge graph completion aims to predict missing relations between entities in a knowledge graph. While many different methods have been proposed, there is a lack of a unifying framework that would lead to state-of-the-art results. Here we develop PathCon, a knowledge graph completion method that harnesses four novel insights to outperform existing methods. PathCon predicts relations between a pair of entities by: (1) Considering the Relational Context of each entity by capturing the relation types adjacent to the entity and modeled through a novel edge-based message passing scheme; (2) Considering the Relational Paths capturing all paths between the two entities; And, (3) adaptively integrating the Relational Context and Relational Path through a learnable attention mechanism. Importantly, (4) in contrast to conventional node-based representations, PathCon represents context and path only using the relation types, which makes it applicable in an inductive setting. Experimental results on knowledge graph benchmarks as well as our newly proposed dataset show that PathCon outperforms state-of-the-art knowledge graph completion methods by a large margin. Finally, PathCon is able to provide interpretable explanations by identifying relations that provide the context and paths that are important for a given predicted relation.

External knowledge is often useful for natural language understanding tasks. We introduce a contextual text representation model called Conceptual-Contextual (CC) embeddings, which incorporates structured knowledge into text representations. Unlike entity embedding methods, our approach encodes a knowledge graph into a context model. CC embeddings can be easily reused for a wide range of tasks just like pre-trained language models. Our model effectively encodes the huge UMLS database by leveraging semantic generalizability. Experiments on electronic health records (EHRs) and medical text processing benchmarks showed our model gives a major boost to the performance of supervised medical NLP tasks.