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1. Handling Missing Data with Graph Representation Learning

   You, Jiaxuan ; Ma, Xiaobai ; Ding, Daisy Yi ; Kochenderfer, Mykel ; Leskovec, Jure. ( January 2020 , Neural Information Processing Systems (NeurIPS)

   Machine learning with missing data has been approached in two different ways, including feature imputation where missing feature values are estimated based on observed values and label prediction where downstream labels are learned directly from incomplete data. However, existing imputation models tend to have strong prior assumptions and cannot learn from downstream tasks, while models targeting label prediction often involve heuristics and can encounter scalability issues. Here we propose GRAPE, a graph-based framework for feature imputation as well as label prediction. GRAPE tackles the missing data problem using a graph representation, where the observations and features are viewed as twomore »types of nodes in a bipartite graph, and the observed feature values as edges. Under the GRAPE framework, the feature imputation is formulated as an edge-level prediction task and the label prediction as a node-level prediction task. These tasks are then solved with Graph Neural Networks. Experimental results on nine benchmark datasets show that GRAPE yields 20% lower mean absolute error for imputation tasks and 10% lower for label prediction tasks, compared with existing state-of-the-art methods.« less
2. Breaking the Limit of Graph Neural Networks by Improving the Assortativity of Graphs with Local Mixing Patterns

   https://doi.org/10.1145/3447548.3467373  

   Suresh, Susheel ; Budde, Vinith ; Neville, Jennifer ; Li, Pan ; Ma, Jianzhu ( August 2021 , Proceedings of the 27th ACM SIGKDD Conference on Knowledge Discovery & Data Mining)

   Graph neural networks (GNNs) have achieved tremendous success on multiple graph-based learning tasks by fusing network structure and node features. Modern GNN models are built upon iterative aggregation of neighbor's/proximity features by message passing. Its prediction performance has been shown to be strongly bounded by assortative mixing in the graph, a key property wherein nodes with similar attributes mix/connect with each other. We observe that real world networks exhibit heterogeneous or diverse mixing patterns and the conventional global measurement of assortativity, such as global assortativity coefficient, may not be a representative statistic in quantifying this mixing. We adopt a generalizedmore »concept, node-level assortativity, one that is based at the node level to better represent the diverse patterns and accurately quantify the learnability of GNNs. We find that the prediction performance of a wide range of GNN models is highly correlated with the node level assortativity. To break this limit, in this work, we focus on transforming the input graph into a computation graph which contains both proximity and structural information as distinct type of edges. The resulted multi-relational graph has an enhanced level of assortativity and, more importantly, preserves rich information from the original graph. We then propose to run GNNs on this computation graph and show that adaptively choosing between structure and proximity leads to improved performance under diverse mixing. Empirically, we show the benefits of adopting our transformation framework for semi-supervised node classification task on a variety of real world graph learning benchmarks.« less
3. OpenWGL: Open-World Graph Learning

   Wu, Man ; Pan, Shirui ; Zhu, Xingquan ( January 2020 , Proc. Of the 20th IEEE International Conference on Data Mining, November 17-20, 2020, Sorrento, Italy)

   In traditional graph learning tasks, such as node classification, learning is carried out in a closed-world setting where the number of classes and their training samples are provided to help train models, and the learning goal is to correctly classify unlabeled nodes into classes already known. In reality, due to limited labeling capability and dynamic evolving of networks, some nodes in the networks may not belong to any existing/seen classes, and therefore cannot be correctly classified by closed-world learning algorithms. In this paper, we propose a new open-world graph learning paradigm, where the learning goal is to not only classifymore »nodes belonging to seen classes into correct groups, but also classify nodes not belonging to existing classes to an unseen class. The essential challenge of the openworld graph learning is that (1) unseen class has no labeled samples, and may exist in an arbitrary form different from existing seen classes; and (2) both graph feature learning and prediction should differentiate whether a node may belong to an existing/seen class or an unseen class. To tackle the challenges, we propose an uncertain node representation learning approach, using constrained variational graph autoencoder networks, where the label loss and class uncertainty loss constraints are used to ensure that the node representation learning are sensitive to unseen class. As a result, node embedding features are denoted by distributions, instead of deterministic feature vectors. By using a sampling process to generate multiple versions of feature vectors, we are able to test the certainty of a node belonging to seen classes, and automatically determine a threshold to reject nodes not belonging to seen classes as unseen class nodes. Experiments on real-world networks demonstrate the algorithm performance, comparing to baselines. Case studies and ablation analysis also show the rationale of our design for open-world graph learning.« less
4. Graph Representation Learning via Multi-task Knowledge Distillation

   Ma, Jiaqi ; Mei, Qiaozhu ( January 2019 , 33rd Conference on Neural Information Processing Systems (NeurIPS 2019) Graph Representation Learning Workshop)

   Machine learning on graph structured data has attracted much research interest due to its ubiquity in real world data. However, how to efficiently represent graph data in a general way is still an open problem. Traditional methods use handcraft graph features in a tabular form but suffer from the defects of domain expertise requirement and information loss. Graph representation learning overcomes these defects by automatically learning the continuous representations from graph structures, but they require abundant training labels, which are often hard to fulfill for graph-level prediction problems. In this work, we demonstrate that, if available, the domain expertise usedmore »for designing handcraft graph features can improve the graph-level representation learning when training labels are scarce. Specifically, we proposed a multi-task knowledge distillation method. By incorporating network-theory-based graph metrics as auxiliary tasks, we show on both synthetic and real datasets that the proposed multi-task learning method can improve the prediction performance of the original learning task, especially when the training data size is small.« less
5. Weak Supervision Network Embedding for Constrained Graph Learning

   Guo, Ting ; Zhu, Xingquan ; Wang, Yang ; Chen, Fang ( May 2021 , Proc. of the Advances in Knowledge Discovery and Data Mining. PAKDD 2021. Lecture Notes in Computer Science)

   Karlapalem, Kamal ; Cheng, Hong ; Ramakrishnan, Naren ; Reddy, P. Krishna ; Srivastava, Jaideep ; Chakraborty, Tanmoy (Ed.)

   Constrained learning, a weakly supervised learning task, aims to incorporate domain constraints to learn models without requiring labels for each instance. Because weak supervision knowledge is useful and easy to obtain, constrained learning outperforms unsupervised learning in performance and is preferable than supervised learning in terms of labeling costs. To date, constrained learning, especially constrained clustering, has been extensively studied, but was primarily focused on data in the Euclidean space. In this paper, we propose a weak supervision network embedding (WSNE) for constrained learning of graphs. Because no label is available for individual nodes, we propose a new loss functionmore »to quantify the constraint-based loss, and integrate this loss in a graph convolutional neural network (GCN) and variational graph auto-encoder (VGAE) combined framework to jointly model graph structures and node attributes. The joint optimization allows WSNE to learn embedding not only preserving network topology and content, but also satisfying the constraints. Experiments show that WSNE outperforms baselines for constrained graph learning tasks, including constrained graph clustering and constrained graph classification.« less