Graph Identification (GI) has long been researched in graph learning and is essential in certain applications (e.g. social community detection). Specifically, GI requires to predict the label/score of a target graph given its collection of node features and edge connections. While this task is common, more complex cases arise in practice---we are supposed to do the inverse thing by, for example, grouping similar users in a social network given the labels of different communities. This triggers an interesting thought: can we identify nodes given the labels of the graphs they belong to? Therefore, this paper defines a novel problem dubbed Inverse Graph Identification (IGI), as opposed to GI. Upon a formal discussion of the variants of IGI, we choose a particular case study of node clustering by making use of the graph labels and node features, with an assistance of a hierarchical graph that further characterizes the connections between different graphs. To address this task, we propose Gaussian Mixture Graph Convolutional Network (GMGCN), a simple yet effective method that makes the node-level message passing process using Graph Attention Network (GAT) under the protocol of GI and then infers the category of each node via a Gaussian Mixture Layer (GML). The training of GMGCN is further boosted by a proposed consensus loss to take advantage of the structure of the hierarchical graph. Extensive experiments are conducted to test the rationality of the formulation of IGI. We verify the superiority of the proposed method compared to other baselines on several benchmarks we have built up. We will release our codes along with the benchmark data to facilitate more research attention to the IGI problem.

Clustering is widely used in unsupervised learning method that deals with unlabeled data. Deep clustering has become a popular study area that relates clustering with Deep Neural Network (DNN) architecture. Deep clustering method downsamples high dimensional data, which may also relate clustering loss. Deep clustering is also introduced in semi-supervised learning (SSL). Most SSL methods depend on pairwise constraint information, which is a matrix containing knowledge if data pairs can be in the same cluster or not. This paper introduces a novel embedding system named AutoEmbedder, that downsamples higher dimensional data to clusterable embedding points. To the best of our knowledge, this is the first research endeavor that relates to traditional classifier DNN architecture with a pairwise loss reduction technique. The training process is semi-supervised and uses Siamese network architecture to compute pairwise constraint loss in the feature learning phase. The AutoEmbedder outperforms most of the existing DNN based semi-supervised methods tested on famous datasets.

Deep auto-encoders (DAEs) have achieved great success in learning data representations via the powerful representability of neural networks. But most DAEs only focus on the most dominant structures which are able to reconstruct the data from a latent space and neglect rich latent structural information. In this work, we propose a new representation learning method that explicitly models and leverages sample relations, which in turn is used as supervision to guide the representation learning. Different from previous work, our framework well preserves the relations between samples. Since the prediction of pairwise relations themselves is a fundamental problem, our model adaptively learns them from data. This provides much flexibility to encode real data manifold. The important role of relation and representation learning is evaluated on the clustering task. Extensive experiments on benchmark data sets demonstrate the superiority of our approach. By seeking to embed samples into subspace, we further show that our method can address the large-scale and out-of-sample problem.

Embedding nodes of a large network into a metric (e.g., Euclidean) space has become an area of active research in statistical machine learning, which has found applications in natural and social sciences. Generally, a representation of a network object is learned in a Euclidean geometry and is then used for subsequent tasks regarding the nodes and/or edges of the network, such as community detection, node classification and link prediction. Network embedding algorithms have been proposed in multiple disciplines, often with domain-specific notations and details. In addition, different measures and tools have been adopted to evaluate and compare the methods proposed under different settings, often dependent of the downstream tasks. As a result, it is challenging to study these algorithms in the literature systematically. Motivated by the recently proposed Veridical Data Science (VDS) framework, we propose a framework for network embedding algorithms and discuss how the principles of predictability, computability and stability apply in this context. The utilization of this framework in network embedding holds the potential to motivate and point to new directions for future research.

The two-step spectral clustering method, which consists of the Laplacian eigenmap and a rounding step, is a widely used method for graph partitioning. It can be seen as a natural relaxation to the NP-hard minimum ratio cut problem. In this paper we study the central question: when is spectral clustering able to find the global solution to the minimum ratio cut problem? First we provide a condition that naturally depends on the intra- and inter-cluster connectivities of a given partition under which we may certify that this partition is the solution to the minimum ratio cut problem. Then we develop a deterministic two-to-infinity norm perturbation bound for the the invariant subspace of the graph Laplacian that corresponds to the $k$ smallest eigenvalues. Finally by combining these two results we give a condition under which spectral clustering is guaranteed to output the global solution to the minimum ratio cut problem, which serves as a performance guarantee for spectral clustering.

The temporal nature of modeling accounts as nodes and transactions as directed edges in a directed graph -- for a blockchain, enables us to understand the behavior (malicious or benign) of the accounts. Predictive classification of accounts as malicious or benign could help users of the permissionless blockchain platforms to operate in a secure manner. Motivated by this, we introduce temporal features such as burst and attractiveness on top of several already used graph properties such as the node degree and clustering coefficient. Using identified features, we train various Machine Learning (ML) algorithms and identify the algorithm that performs the best in detecting which accounts are malicious. We then study the behavior of the accounts over different temporal granularities of the dataset before assigning them malicious tags. For Ethereum blockchain, we identify that for the entire dataset - the ExtraTreesClassifier performs the best among supervised ML algorithms. On the other hand, using cosine similarity on top of the results provided by unsupervised ML algorithms such as K-Means on the entire dataset, we were able to detect 554 more suspicious accounts. Further, using behavior change analysis for accounts, we identify 814 unique suspicious accounts across different temporal granularities.

There is a growing amount of clinical, anatomical and functional evidence for the heterogeneous presentation of neuropsychiatric and neurodegenerative diseases such as schizophrenia and Alzheimers Disease (AD). Elucidating distinct subtypes of diseases allows a better understanding of neuropathogenesis and enables the possibility of developing targeted treatment programs. Recent semi-supervised clustering techniques have provided a data-driven way to understand disease heterogeneity. However, existing methods do not take into account that subtypes of the disease might present themselves at different spatial scales across the brain. Here, we introduce a novel method, MAGIC, to uncover disease heterogeneity by leveraging multi-scale clustering. We first extract multi-scale patterns of structural covariance (PSCs) followed by a semi-supervised clustering with double cyclic block-wise optimization across different scales of PSCs. We validate MAGIC using simulated heterogeneous neuroanatomical data and demonstrate its clinical potential by exploring the heterogeneity of AD using T1 MRI scans of 228 cognitively normal (CN) and 191 patients. Our results indicate two main subtypes of AD with distinct atrophy patterns that consist of both fine-scale atrophy in the hippocampus as well as large-scale atrophy in cortical regions. The evidence for the heterogeneity is further corroborated by the clinical evaluation of two subtypes, which indicates that there is a subpopulation of AD patients that tend to be younger and decline faster in cognitive performance relative to the other subpopulation, which tends to be older and maintains a relatively steady decline in cognitive abilities.

Hierarchical Agglomerative Clustering (HAC) algorithms are extensively utilized in modern data science and machine learning, and seek to partition the dataset into clusters while generating a hierarchical relationship between the data samples themselves. HAC algorithms are employed in a number of applications, such as biology, natural language processing, and recommender systems. Thus, it is imperative to ensure that these algorithms are fair-- even if the dataset contains biases against certain protected groups, the cluster outputs generated should not be discriminatory against samples from any of these groups. However, recent work in clustering fairness has mostly focused on center-based clustering algorithms, such as k-median and k-means clustering. Therefore, in this paper, we propose fair algorithms for performing HAC that enforce fairness constraints 1) irrespective of the distance linkage criteria used, 2) generalize to any natural measures of clustering fairness for HAC, 3) work for multiple protected groups, and 4) have competitive running times to vanilla HAC. To the best of our knowledge, this is the first work that studies fairness for HAC algorithms. We also propose an algorithm with lower asymptotic time complexity than HAC algorithms that can rectify existing HAC outputs and make them subsequently fair as a result. Moreover, we carry out extensive experiments on multiple real-world UCI datasets to demonstrate the working of our algorithms.

We study two practically important cases of model based clustering using Gaussian Mixture Models: (1) when there is misspecification and (2) on high dimensional data, in the light of recent advances in Gradient Descent (GD) based optimization using Automatic Differentiation (AD). Our simulation studies show that EM has better clustering performance, measured by Adjusted Rand Index, compared to GD in cases of misspecification, whereas on high dimensional data GD outperforms EM. We observe that both with EM and GD there are many solutions with high likelihood but poor cluster interpretation. To address this problem we design a new penalty term for the likelihood based on the Kullback Leibler divergence between pairs of fitted components. Closed form expressions for the gradients of this penalized likelihood are difficult to derive but AD can be done effortlessly, illustrating the advantage of AD-based optimization. Extensions of this penalty for high dimensional data and for model selection are discussed. Numerical experiments on synthetic and real datasets demonstrate the efficacy of clustering using the proposed penalized likelihood approach.

Messenger advertisements (ads) give direct and personal user experience yielding high conversion rates and sales. However, people are skeptical about ads and sometimes perceive them as spam, which eventually leads to a decrease in user satisfaction. Targeted advertising, which serves ads to individuals who may exhibit interest in a particular advertising message, is strongly required. The key to the success of precise user targeting lies in learning the accurate user and ad representation in the embedding space. Most of the previous studies have limited the representation learning in the Euclidean space, but recent studies have suggested hyperbolic manifold learning for the distinct projection of complex network properties emerging from real-world datasets such as social networks, recommender systems, and advertising. We propose a framework that can effectively learn the hierarchical structure in users and ads on the hyperbolic space, and extend to the Multi-Manifold Learning. Our method constructs multiple hyperbolic manifolds with learnable curvatures and maps the representation of user and ad to each manifold. The origin of each manifold is set as the centroid of each user cluster. The user preference for each ad is estimated using the distance between two entities in the hyperbolic space, and the final prediction is determined by aggregating the values calculated from the learned multiple manifolds. We evaluate our method on public benchmark datasets and a large-scale commercial messenger system LINE, and demonstrate its effectiveness through improved performance.