Deep learning models have achieved huge success in numerous fields, such as computer vision and natural language processing. However, unlike such fields, it is hard to apply traditional deep learning models on the graph data due to the 'node-orderless' property. Normally, adjacency matrices will cast an artificial and random node-order on the graphs, which renders the performance of deep models on graph classification tasks extremely erratic, and the representations learned by such models lack clear interpretability. To eliminate the unnecessary node-order constraint, we propose a novel model named Isomorphic Neural Network (IsoNN), which learns the graph representation by extracting its isomorphic features via the graph matching between input graph and templates. IsoNN has two main components: graph isomorphic feature extraction component and classification component. The graph isomorphic feature extraction component utilizes a set of subgraph templates as the kernel variables to learn the possible subgraph patterns existing in the input graph and then computes the isomorphic features. A set of permutation matrices is used in the component to break the node-order brought by the matrix representation. Three fully-connected layers are used as the classification component in IsoNN. Extensive experiments are conducted on benchmark datasets, the experimental results can demonstrate the effectiveness of ISONN, especially compared with both classic and state-of-the-art graph classification methods.
We analyze a new spectral graph matching algorithm, GRAph Matching by Pairwise eigen-Alignments (GRAMPA), for recovering the latent vertex correspondence between two unlabeled, edge-correlated weighted graphs. Extending the exact recovery guarantees established in the companion paper for Gaussian weights, in this work, we prove the universality of these guarantees for a general correlated Wigner model. In particular, for two Erd\H{o}s-R\'enyi graphs with edge correlation coefficient $1-\sigma^2$ and average degree at least $\operatorname{polylog}(n)$, we show that GRAMPA exactly recovers the latent vertex correspondence with high probability when $\sigma \lesssim 1/\operatorname{polylog}(n)$. Moreover, we establish a similar guarantee for a variant of GRAMPA, corresponding to a tighter quadratic programming relaxation of the quadratic assignment problem. Our analysis exploits a resolvent representation of the GRAMPA similarity matrix and local laws for the resolvents of sparse Wigner matrices.
Graph matching aims at finding the vertex correspondence between two unlabeled graphs that maximizes the total edge weight correlation. This amounts to solving a computationally intractable quadratic assignment problem. In this paper we propose a new spectral method, GRAph Matching by Pairwise eigen-Alignments (GRAMPA). Departing from prior spectral approaches that only compare top eigenvectors, or eigenvectors of the same order, GRAMPA first constructs a similarity matrix as a weighted sum of outer products between all pairs of eigenvectors of the two graphs, with weights given by a Cauchy kernel applied to the separation of the corresponding eigenvalues, then outputs a matching by a simple rounding procedure. The similarity matrix can also be interpreted as the solution to a regularized quadratic programming relaxation of the quadratic assignment problem. For the Gaussian Wigner model in which two complete graphs on $n$ vertices have Gaussian edge weights with correlation coefficient $1-\sigma^2$, we show that GRAMPA exactly recovers the correct vertex correspondence with high probability when $\sigma = O(\frac{1}{\log n})$. This matches the state of the art of polynomial-time algorithms, and significantly improves over existing spectral methods which require $\sigma$ to be polynomially small in $n$. The superiority of GRAMPA is also demonstrated on a variety of synthetic and real datasets, in terms of both statistical accuracy and computational efficiency. Universality results, including similar guarantees for dense and sparse Erd\H{o}s-R\'{e}nyi graphs, are deferred to the companion paper.
3D printing has been widely adopted for clinical decision making and interventional planning of Congenital heart disease (CHD), while whole heart and great vessel segmentation is the most significant but time-consuming step in the model generation for 3D printing. While various automatic whole heart and great vessel segmentation frameworks have been developed in the literature, they are ineffective when applied to medical images in CHD, which have significant variations in heart structure and great vessel connections. To address the challenge, we leverage the power of deep learning in processing regular structures and that of graph algorithms in dealing with large variations and propose a framework that combines both for whole heart and great vessel segmentation in CHD. Particularly, we first use deep learning to segment the four chambers and myocardium followed by the blood pool, where variations are usually small. We then extract the connection information and apply graph matching to determine the categories of all the vessels. Experimental results using 683D CT images covering 14 types of CHD show that our method can increase Dice score by 11.9% on average compared with the state-of-the-art whole heart and great vessel segmentation method in normal anatomy. The segmentation results are also printed out using 3D printers for validation.
Previous cross-lingual knowledge graph (KG) alignment studies rely on entity embeddings derived only from monolingual KG structural information, which may fail at matching entities that have different facts in two KGs. In this paper, we introduce the topic entity graph, a local sub-graph of an entity, to represent entities with their contextual information in KG. From this view, the KB-alignment task can be formulated as a graph matching problem; and we further propose a graph-attention based solution, which first matches all entities in two topic entity graphs, and then jointly model the local matching information to derive a graph-level matching vector. Experiments show that our model outperforms previous state-of-the-art methods by a large margin.
Evaluating AMR parsing accuracy involves comparing pairs of AMR graphs. The major evaluation metric, SMATCH (Cai and Knight, 2013), searches for one-to-one mappings between the nodes of two AMRs with a greedy hill-climbing algorithm, which leads to search errors. We propose SEMBLEU, a robust metric that extends BLEU (Papineni et al., 2002) to AMRs. It does not suffer from search errors and considers non-local correspondences in addition to local ones. SEMBLEU is fully content-driven and punishes situations where a system's output does not preserve most information from the input. Preliminary experiments on both sentence and corpus levels show that SEMBLEU has slightly higher consistency with human judgments than SMATCH. Our code is available at http://github.com/freesunshine0316/sembleu.
We propose a scalable Gromov-Wasserstein learning (S-GWL) method and establish a novel and theoretically-supported paradigm for large-scale graph analysis. The proposed method is based on the fact that Gromov-Wasserstein discrepancy is a pseudometric on graphs. Given two graphs, the optimal transport associated with their Gromov-Wasserstein discrepancy provides the correspondence between their nodes and achieves graph matching. When one of the graphs has isolated but self-connected nodes ($i.e.$, a disconnected graph), the optimal transport indicates the clustering structure of the other graph and achieves graph partitioning. Using this concept, we extend our method to multi-graph partitioning and matching by learning a Gromov-Wasserstein barycenter graph for multiple observed graphs; the barycenter graph plays the role of the disconnected graph, and since it is learned, so is the clustering. Our method combines a recursive $K$-partition mechanism with a regularized proximal gradient algorithm, whose time complexity is $\mathcal{O}(K(E+V)\log_K V)$ for graphs with $V$ nodes and $E$ edges. To our knowledge, our method is the first attempt to make Gromov-Wasserstein discrepancy applicable to large-scale graph analysis and unify graph partitioning and matching into the same framework. It outperforms state-of-the-art graph partitioning and matching methods, achieving a trade-off between accuracy and efficiency.
This paper addresses the challenging problem of retrieval and matching of graph structured objects, and makes two key contributions. First, we demonstrate how Graph Neural Networks (GNN), which have emerged as an effective model for various supervised prediction problems defined on structured data, can be trained to produce embedding of graphs in vector spaces that enables efficient similarity reasoning. Second, we propose a novel Graph Matching Network model that, given a pair of graphs as input, computes a similarity score between them by jointly reasoning on the pair through a new cross-graph attention-based matching mechanism. We demonstrate the effectiveness of our models on different domains including the challenging problem of control-flow-graph based function similarity search that plays an important role in the detection of vulnerabilities in software systems. The experimental analysis demonstrates that our models are not only able to exploit structure in the context of similarity learning but they can also outperform domain-specific baseline systems that have been carefully hand-engineered for these problems.
Radar detects stable, long-range objects under variable weather and lighting conditions, making it a reliable and versatile sensor well suited for ego-motion estimation. In this work, we propose a radar-only odometry pipeline that is highly robust to radar artifacts (e.g., speckle noise and false positives) and requires only one input parameter. We demonstrate its ability to adapt across diverse settings, from urban UK to off-road Iceland, achieving a scan matching accuracy of approximately 5.20 cm and 0.0929 deg when using GPS as ground truth (compared to visual odometry's 5.77 cm and 0.1032 deg). We present algorithms for keypoint extraction and data association, framing the latter as a graph matching optimization problem, and provide an in-depth system analysis.
We present RL-VAE, a graph-to-graph variational autoencoder that uses reinforcement learning to decode molecular graphs from latent embeddings. Methods have been described previously for graph-to-graph autoencoding, but these approaches require sophisticated decoders that increase the complexity of training and evaluation (such as requiring parallel encoders and decoders or non-trivial graph matching). Here, we repurpose a simple graph generator to enable efficient decoding and generation of molecular graphs.
We present an entirely new geometric and probabilistic approach to synchronization of correspondences across multiple sets of objects or images. In particular, we present two algorithms: (1) Birkhoff-Riemannian L-BFGS for optimizing the relaxed version of the combinatorially intractable cycle consistency loss in a principled manner, (2) Birkhoff-Riemannian Langevin Monte Carlo for generating samples on the Birkhoff Polytope and estimating the confidence of the found solutions. To this end, we first introduce the very recently developed Riemannian geometry of the Birkhoff Polytope. Next, we introduce a new probabilistic synchronization model in the form of a Markov Random Field (MRF). Finally, based on the first order retraction operators, we formulate our problem as simulating a stochastic differential equation and devise new integrators. We show on both synthetic and real datasets that we achieve high quality multi-graph matching results with faster convergence and reliable confidence/uncertainty estimates.
Despite the fact that Second Order Similarity (SOS) has been used with significant success in tasks such as graph matching and clustering, it has not been exploited for learning local descriptors. In this work, we explore the potential of SOS in the field of descriptor learning by building upon the intuition that a positive pair of matching points should exhibit similar distances with respect to other points in the embedding space. Thus, we propose a novel regularization term, named Second Order Similarity Regularization (SOSR), that follows this principle. By incorporating SOSR into training, our learned descriptor achieves state-of-the-art performance on several challenging benchmarks containing distinct tasks ranging from local patch retrieval to structure from motion. Furthermore, by designing a von Mises-Fischer distribution based evaluation method, we link the utilization of the descriptor space to the matching performance, thus demonstrating the effectiveness of our proposed SOSR. Extensive experimental results, empirical evidence, and in-depth analysis are provided, indicating that SOSR can significantly boost the matching performance of the learned descriptor.
This paper presents a novel randomized algorithm for robust point cloud registration without correspondences. Most existing registration approaches require a set of putative correspondences obtained by extracting invariant descriptors. However, such descriptors could become unreliable in noisy and contaminated settings. In these settings, methods that directly handle input point sets are preferable. Without correspondences, however, conventional randomized techniques require a very large number of samples in order to reach satisfactory solutions. In this paper, we propose a novel approach to address this problem. In particular, our work enables the use of randomized methods for point cloud registration without the need of putative correspondences. By considering point cloud alignment as a special instance of graph matching and employing an efficient semi-definite relaxation, we propose a novel sampling mechanism, in which the size of the sampled subsets can be larger-than-minimal. Our tight relaxation scheme enables fast rejection of the outliers in the sampled sets, resulting in high-quality hypotheses. We conduct extensive experiments to demonstrate that our approach outperforms other state-of-the-art methods. Importantly, our proposed method serves as a generic framework which can be extended to problems with known correspondences.
Graph matching refers to finding node correspondence between graphs, such that the corresponding node and edge's affinity can be maximized. In addition with its NP-completeness nature, another important challenge is effective modeling of the node-wise and structure-wise affinity across graphs and the resulting objective, to guide the matching procedure effectively finding the true matching against noises. To this end, this paper devises an end-to-end differentiable deep network pipeline to learn the affinity for graph matching. It involves a supervised permutation loss regarding with node correspondence to capture the combinatorial nature for graph matching. Meanwhile deep graph embedding models are adopted to parameterize both intra-graph and cross-graph affinity functions, instead of the traditional shallow and simple parametric forms e.g. a Gaussian kernel. The embedding can also effectively capture the higher-order structure beyond second-order edges. The permutation loss model is agnostic to the number of nodes, and the embedding model is shared among nodes such that the network allows for varying numbers of nodes in graphs for training and inference. Moreover, our network is class-agnostic with some generalization capability across different categories. All these features are welcomed for real-world applications. Experiments show its superiority against state-of-the-art graph matching learning methods.
Graph matching is one of the most important problems in graph theory and combinatorial optimization, with many applications in various domains. Although meta-heuristic algorithms have had good performance on many NP-Hard and NP-Complete problems, for this problem there are not reported superior solutions by these algorithms. The reason of this inefficiency has not been investigated yet. In this paper we show that simulated annealing as an stochastic optimization method is unlikely to be even close to the optimal solution for this problem. In addition to theoretical discussion, the experimental results also verified our idea; for example, in two sample graphs, the probability of reaching to a solution with more than three correct matches is about $0.02$ in simulated annealing.
Visual Query Answering (VQA) is of great significance in offering people convenience: one can raise a question for details of objects, or high-level understanding about the scene, over an image. This paper proposes a novel method to address the VQA problem. In contrast to prior works, our method that targets single scene VQA, replies on graph-based techniques and involves reasoning. In a nutshell, our approach is centered on three graphs. The first graph, referred to as inference graph GI , is constructed via learning over labeled data. The other two graphs, referred to as query graph Q and entity-attribute graph GEA, are generated from natural language query Qnl and image Img, that are issued from users, respectively. As GEA often does not take sufficient information to answer Q, we develop techniques to infer missing information of GEA with GI . Based on GEA and Q, we provide techniques to find matches of Q in GEA, as the answer of Qnl in Img. Unlike commonly used VQA methods that are based on end-to-end neural networks, our graph-based method shows well-designed reasoning capability, and thus is highly interpretable. We also create a dataset on soccer match (Soccer-VQA) with rich annotations. The experimental results show that our approach outperforms the state-of-the-art method and has high potential for future investigation.
Background: The problem of predicting whether a drug combination of arbitrary orders is likely to induce adverse drug reactions is considered in this manuscript. Methods: Novel kernels over drug combinations of arbitrary orders are developed within support vector machines for the prediction. Graph matching methods are used in the novel kernels to measure the similarities among drug combinations, in which drug co-medication patterns are leveraged to measure single drug similarities. Results: The experimental results on a real-world dataset demonstrated that the new kernels achieve an area under the curve (AUC) value 0.912 for the prediction problem. Conclusions: The new methods with drug co-medication based single drug similarities can accurately predict whether a drug combination is likely to induce adverse drug reactions of interest. Keywords: drug-drug interaction prediction; drug combination similarity; co-medication; graph matching
In this work we provide a theoretical framework for structured prediction that generalizes the existing theory of surrogate methods for binary and multiclass classification based on estimating conditional probabilities with smooth convex surrogates (e.g. logistic regression). The theory relies on a natural characterization of structural properties of the task loss and allows to derive statistical guarantees for many widely used methods in the context of multilabeling, ranking, ordinal regression and graph matching. In particular, we characterize the smooth convex surrogates compatible with a given task loss in terms of a suitable Bregman divergence composed with a link function. This allows to derive tight bounds for the calibration function and to obtain novel results on existing surrogate frameworks for structured prediction such as conditional random fields and quadratic surrogates.
Finding an optimal assignment between two sets of objects is a fundamental problem arising in many applications, including the matching of `bag-of-words' representations in natural language processing and computer vision. Solving the assignment problem typically requires cubic time and its pairwise computation is expensive on large datasets. In this paper, we develop an algorithm which can find an optimal assignment in linear time when the cost function between objects is represented by a tree distance. We employ the method to approximate the edit distance between two graphs by matching their vertices in linear time. To this end, we propose two tree distances, the first of which reflects discrete and structural differences between vertices, and the second of which can be used to compare continuous labels. We verify the effectiveness and efficiency of our methods using synthetic and real-world datasets.
ShuffleNet is a state-of-the-art light weight convolutional neural network architecture. Its basic operations include group, channel-wise convolution and channel shuffling. However, channel shuffling is manually designed empirically. Mathematically, shuffling is a multiplication by a permutation matrix. In this paper, we propose to automate channel shuffling by learning permutation matrices in network training. We introduce an exact Lipschitz continuous non-convex penalty so that it can be incorporated in the stochastic gradient descent to approximate permutation at high precision. Exact permutations are obtained by simple rounding at the end of training and are used in inference. The resulting network, referred to as AutoShuffleNet, achieved improved classification accuracies on CIFAR-10 and ImageNet data sets. In addition, we found experimentally that the standard convex relaxation of permutation matrices into stochastic matrices leads to poor performance. We prove theoretically the exactness (error bounds) in recovering permutation matrices when our penalty function is zero (very small). We present examples of permutation optimization through graph matching and two-layer neural network models where the loss functions are calculated in closed analytical form. In the examples, convex relaxation failed to capture permutations whereas our penalty succeeded.