Query-free Black-box Adversarial Attacks on Graphs

Many graph-based machine learning models are known to be vulnerable to adversarial attacks, where even limited perturbations on input data can result in dramatic performance deterioration. Most existing works focus on moderate settings in which the attacker is either aware of the model structure and parameters (white-box), or able to send queries to fetch model information. In this paper, we propose a query-free black-box adversarial attack on graphs, in which the attacker has no knowledge of the target model and no query access to the model. With the mere observation of the graph topology, the proposed attack strategy flips a limited number of links to mislead the graph models. We prove that the impact of the flipped links on the target model can be quantified by spectral changes, and thus be approximated using the eigenvalue perturbation theory. Accordingly, we model the proposed attack strategy as an optimization problem, and adopt a greedy algorithm to select the links to be flipped. Due to its simplicity and scalability, the proposed model is not only generic in various graph-based models, but can be easily extended when different knowledge levels are accessible as well. Extensive experiments demonstrate the effectiveness and efficiency of the proposed model on various downstream tasks, as well as several different graph-based learning models.

Unsupervised Adversarially-Robust Representation Learning on Graphs

Recent works have demonstrated that deep learning on graphs is vulnerable to adversarial attacks, in that imperceptible perturbations on input data can lead to dramatic performance deterioration. In this paper, we focus on the underlying problem of learning robust representations on graphs via mutual information. In contrast to previous works measure the task-specific robustness based on the label space, we here take advantage of the representation space to study a task-free robustness measure given the joint input space w.r.t graph topology and node attributes. We formulate this problem as a constrained saddle point optimization problem and solve it efficiently in a reduced search space. Furthermore, we provably establish theoretical connections between our task-free robustness measure and the robustness of downstream classifiers. Extensive experiments demonstrate that our proposed method is able to enhance robustness against adversarial attacks on graphs, yet even increases natural accuracy.

Learning Continuous System Dynamics from Irregularly-Sampled Partial Observations

Many real-world systems, such as moving planets, can be considered as multi-agent dynamic systems, where objects interact with each other and co-evolve along with the time. Such dynamics is usually difficult to capture, and understanding and predicting the dynamics based on observed trajectories of objects become a critical research problem in many domains. Most existing algorithms, however, assume the observations are regularly sampled and all the objects can be fully observed at each sampling time, which is impractical for many applications. In this paper, we propose to learn system dynamics from irregularly-sampled partial observations with underlying graph structure for the first time. To tackle the above challenge, we present LG-ODE, a latent ordinary differential equation generative model for modeling multi-agent dynamic system with known graph structure. It can simultaneously learn the embedding of high dimensional trajectories and infer continuous latent system dynamics. Our model employs a novel encoder parameterized by a graph neural network that can infer initial states in an unsupervised way from irregularly-sampled partial observations of structural objects and utilizes neuralODE to infer arbitrarily complex continuous-time latent dynamics. Experiments on motion capture, spring system, and charged particle datasets demonstrate the effectiveness of our approach.

Multivariate Time Series Classification with Hierarchical Variational Graph Pooling

Over the past decade, multivariate time series classification (MTSC) has received great attention with the advance of sensing techniques. Current deep learning methods for MTSC are based on convolutional and recurrent neural network, with the assumption that time series variables have the same effect to each other. Thus they cannot model the pairwise dependencies among variables explicitly. What's more, current spatial-temporal modeling methods based on GNNs are inherently flat and lack the capability of aggregating node information in a hierarchical manner. To address this limitation and attain expressive global representation of MTS, we propose a graph pooling based framework MTPool and view MTSC task as graph classification task. With graph structure learning and temporal convolution, MTS slices are converted to graphs and spatial-temporal features are extracted. Then, we propose a novel graph pooling method, which uses an ``encoder-decoder'' mechanism to generate adaptive centroids for cluster assignments. GNNs and graph pooling layers are used for joint graph representation learning and graph coarsening. With multiple graph pooling layers, the input graphs are hierachically coarsened to one node. Finally, differentiable classifier takes this coarsened one-node graph as input to get the final predicted class. Experiments on 10 benchmark datasets demonstrate MTPool outperforms state-of-the-art methods in MTSC tasks.

Multilingual Knowledge Graph Completion via Ensemble Knowledge Transfer

Predicting missing facts in a knowledge graph (KG) is a crucial task in knowledge base construction and reasoning, and it has been the subject of much research in recent works using KG embeddings. While existing KG embedding approaches mainly learn and predict facts within a single KG, a more plausible solution would benefit from the knowledge in multiple language-specific KGs, considering that different KGs have their own strengths and limitations on data quality and coverage. This is quite challenging, since the transfer of knowledge among multiple independently maintained KGs is often hindered by the insufficiency of alignment information and the inconsistency of described facts. In this paper, we propose KEnS, a novel framework for embedding learning and ensemble knowledge transfer across a number of language-specific KGs. KEnS embeds all KGs in a shared embedding space, where the association of entities is captured based on self-learning. Then, KEnS performs ensemble inference to combine prediction results from embeddings of multiple language-specific KGs, for which multiple ensemble techniques are investigated. Experiments on five real-world language-specific KGs show that KEnS consistently improves state-of-the-art methods on KG completion, via effectively identifying and leveraging complementary knowledge.

GPT-GNN: Generative Pre-Training of Graph Neural Networks

Graph neural networks (GNNs) have been demonstrated to be powerful in modeling graph-structured data. However, training GNNs usually requires abundant task-specific labeled data, which is often arduously expensive to obtain. One effective way to reduce the labeling effort is to pre-train an expressive GNN model on unlabeled data with self-supervision and then transfer the learned model to downstream tasks with only a few labels. In this paper, we present the GPT-GNN framework to initialize GNNs by generative pre-training. GPT-GNN introduces a self-supervised attributed graph generation task to pre-train a GNN so that it can capture the structural and semantic properties of the graph. We factorize the likelihood of the graph generation into two components: 1) Attribute Generation and 2) Edge Generation. By modeling both components, GPT-GNN captures the inherent dependency between node attributes and graph structure during the generative process. Comprehensive experiments on the billion-scale Open Academic Graph and Amazon recommendation data demonstrate that GPT-GNN significantly outperforms state-of-the-art GNN models without pre-training by up to 9.1% across various downstream tasks.

TIMME: Twitter Ideology-detection via Multi-task Multi-relational Embedding

We aim at solving the problem of predicting people's ideology, or political tendency. We estimate it by using Twitter data, and formalize it as a classification problem. Ideology-detection has long been a challenging yet important problem. Certain groups, such as the policy makers, rely on it to make wise decisions. Back in the old days when labor-intensive survey-studies were needed to collect public opinions, analyzing ordinary citizens' political tendencies was uneasy. The rise of social medias, such as Twitter, has enabled us to gather ordinary citizen's data easily. However, the incompleteness of the labels and the features in social network datasets is tricky, not to mention the enormous data size and the heterogeneousity. The data differ dramatically from many commonly-used datasets, thus brings unique challenges. In our work, first we built our own datasets from Twitter. Next, we proposed TIMME, a multi-task multi-relational embedding model, that works efficiently on sparsely-labeled heterogeneous real-world dataset. It could also handle the incompleteness of the input features. Experimental results showed that TIMME is overall better than the state-of-the-art models for ideology detection on Twitter. Our findings include: links can lead to good classification outcomes without text; conservative voice is under-represented on Twitter; follow is the most important relation to predict ideology; retweet and mention enhance a higher chance of like, etc. Last but not least, TIMME could be extended to other datasets and tasks in theory.

Bi-Level Graph Neural Networks for Drug-Drug Interaction Prediction

We introduce Bi-GNN for modeling biological link prediction tasks such as drug-drug interaction (DDI) and protein-protein interaction (PPI). Taking drug-drug interaction as an example, existing methods using machine learning either only utilize the link structure between drugs without using the graph representation of each drug molecule, or only leverage the individual drug compound structures without using graph structure for the higher-level DDI graph. The key idea of our method is to fundamentally view the data as a bi-level graph, where the highest level graph represents the interaction between biological entities (interaction graph), and each biological entity itself is further expanded to its intrinsic graph representation (representation graphs), where the graph is either flat like a drug compound or hierarchical like a protein with amino acid level graph, secondary structure, tertiary structure, etc. Our model not only allows the usage of information from both the high-level interaction graph and the low-level representation graphs, but also offers a baseline for future research opportunities to address the bi-level nature of the data.

Hierarchical Large-scale Graph Similarity Computation via Graph Coarsening and Matching

In this work, we focus on large graph similarity computation problem and propose a novel ``embedding-coarsening-matching'' learning framework, which outperforms state-of-the-art methods in this task and has significant improvement in time efficiency. Graph similarity computation for metrics such as Graph Edit Distance (GED) is typically NP-hard, and existing heuristics-based algorithms usually achieves a unsatisfactory trade-off between accuracy and efficiency. Recently the development of deep learning techniques provides a promising solution for this problem by a data-driven approach which trains a network to encode graphs to their own feature vectors and computes similarity based on feature vectors. These deep-learning methods can be classified to two categories, embedding models and matching models. Embedding models such as GCN-Mean and GCN-Max, which directly map graphs to respective feature vectors, run faster but the performance is usually poor due to the lack of interactions across graphs. Matching models such as GMN, whose encoding process involves interaction across the two graphs, are more accurate but interaction between whole graphs brings a significant increase in time consumption (at least quadratic time complexity over number of nodes). Inspired by large biological molecular identification where the whole molecular is first mapped to functional groups and then identified based on these functional groups, our ``embedding-coarsening-matching'' learning framework first embeds and coarsens large graphs to coarsened graphs with denser local topology and then matching mechanism is deployed on the coarsened graphs for the final similarity scores. Detailed experiments have been conducted and the results demonstrate the efficiency and effectiveness of our proposed framework.