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Sutanay Choudhury

Publications and source records attributed to Sutanay Choudhury.

At least 37 records · Page 2Linked to original sources

Self-Supervised Learning of Contextual Embeddings for Link Prediction in Heterogeneous Networks

Representation learning methods for heterogeneous networks produce a low-dimensional vector embedding for each node that is typically fixed for all tasks involving the node. Many of the existing methods focus on obtaining a static vector representation for a node in a way that is agnostic to the downstream application where it is being used. In practice, however, downstream tasks such as link prediction require specific contextual information that can be extracted from the subgraphs related to the nodes provided as input to the task. To tackle this challenge, we develop SLiCE, a framework bridging static representation learning methods using global information from the entire graph with localized attention driven mechanisms to learn contextual node representations. We first pre-train our model in a self-supervised manner by introducing higher-order semantic associations and masking nodes, and then fine-tune our model for a specific link prediction task. Instead of training node representations by aggregating information from all semantic neighbors connected via metapaths, we automatically learn the composition of different metapaths that characterize the context for a specific task without the need for any pre-defined metapaths. SLiCE significantly outperforms both static and contextual embedding learning methods on several publicly available benchmark network datasets. We also interpret the semantic association matrix and provide its utility and relevance in making successful link predictions between heterogeneous nodes in the network.

cs.LG↗

Benchmarking Deep Graph Generative Models for Optimizing New Drug Molecules for COVID-19

Design of new drug compounds with target properties is a key area of research in generative modeling. We present a small drug molecule design pipeline based on graph-generative models and a comparison study of two state-of-the-art graph generative models for designing COVID-19 targeted drug candidates: 1) a variational autoencoder-based approach (VAE) that uses prior knowledge of molecules that have been shown to be effective for earlier coronavirus treatments and 2) a deep Q-learning method (DQN) that generates optimized molecules without any proximity constraints. We evaluate the novelty of the automated molecule generation approaches by validating the candidate molecules with drug-protein binding affinity models. The VAE method produced two novel molecules with similar structures to the antiretroviral protease inhibitor Indinavir that show potential binding affinity for the SARS-CoV-2 protein target 3-chymotrypsin-like protease (3CL-protease).

cs.LG↗

HydroNet: Benchmark Tasks for Preserving Intermolecular Interactions and Structural Motifs in Predictive and Generative Models for Molecular Data

Intermolecular and long-range interactions are central to phenomena as diverse as gene regulation, topological states of quantum materials, electrolyte transport in batteries, and the universal solvation properties of water. We present a set of challenge problems for preserving intermolecular interactions and structural motifs in machine-learning approaches to chemical problems, through the use of a recently published dataset of 4.95 million water clusters held together by hydrogen bonding interactions and resulting in longer range structural patterns. The dataset provides spatial coordinates as well as two types of graph representations, to accommodate a variety of machine-learning practices.

cs.LG↗

Model-Agnostic Algorithm for Real-Time Attack Identification in Power Grid using Koopman Modes

Malicious activities on measurements from sensors like Phasor Measurement Units (PMUs) can mislead the control center operator into taking wrong control actions resulting in disruption of operation, financial losses, and equipment damage. In particular, false data attacks initiated during power systems transients caused due to abrupt changes in load and generation can fool the conventional model-based detection methods relying on thresholds comparison to trigger an anomaly. In this paper, we propose a Koopman mode decomposition (KMD) based algorithm to detect and identify false data attacks in real-time. The Koopman modes (KMs) are capable of capturing the nonlinear modes of oscillation in the transient dynamics of the power networks and reveal the spatial embedding of both natural and anomalous modes of oscillations in the sensor measurements. The Koopman-based spatio-temporal nonlinear modal analysis is used to filter out the false data injected by an attacker. The performance of the algorithm is illustrated on the IEEE 68-bus test system using synthetic attack scenarios generated on GridSTAGE, a recently developed multivariate spatio-temporal data generation framework for simulation of adversarial scenarios in cyber-physical power systems.

eess.SY↗

Snomed2Vec: Random Walk and Poincaré Embeddings of a Clinical Knowledge Base for Healthcare Analytics

Representation learning methods that transform encoded data (e.g., diagnosis and drug codes) into continuous vector spaces (i.e., vector embeddings) are critical for the application of deep learning in healthcare. Initial work in this area explored the use of variants of the word2vec algorithm to learn embeddings for medical concepts from electronic health records or medical claims datasets. We propose learning embeddings for medical concepts by using graph-based representation learning methods on SNOMED-CT, a widely popular knowledge graph in the healthcare domain with numerous operational and research applications. Current work presents an empirical analysis of various embedding methods, including the evaluation of their performance on multiple tasks of biomedical relevance (node classification, link prediction, and patient state prediction). Our results show that concept embeddings derived from the SNOMED-CT knowledge graph significantly outperform state-of-the-art embeddings, showing 5-6x improvement in ``concept similarity" and 6-20\% improvement in patient diagnosis.

cs.LG↗

When Labels Fall Short: Property Graph Simulation via Blending of Network Structure and Vertex Attributes

Property graphs can be used to represent heterogeneous networks with labeled (attributed) vertices and edges. Given a property graph, simulating another graph with same or greater size with the same statistical properties with respect to the labels and connectivity is critical for privacy preservation and benchmarking purposes. In this work we tackle the problem of capturing the statistical dependence of the edge connectivity on the vertex labels and using the same distribution to regenerate property graphs of the same or expanded size in a scalable manner. However, accurate simulation becomes a challenge when the attributes do not completely explain the network structure. We propose the Property Graph Model (PGM) approach that uses a label augmentation strategy to mitigate the problem and preserve the vertex label and the edge connectivity distributions as well as their correlation, while also replicating the degree distribution. Our proposed algorithm is scalable with a linear complexity in the number of edges in the target graph. We illustrate the efficacy of the PGM approach in regenerating and expanding the datasets by leveraging two distinct illustrations. Our open-source implementation is available on GitHub.

cs.SI↗

Enterprise Cyber Resiliency Against Lateral Movement: A Graph Theoretic Approach

Lateral movement attacks are a serious threat to enterprise security. In these attacks, an attacker compromises a trusted user account to get a foothold into the enterprise network and uses it to attack other trusted users, increasingly gaining higher and higher privileges. Such lateral attacks are very hard to model because of the unwitting role that users play in the attack and even harder to detect and prevent because of their low and slow nature. In this paper, a theoretical framework is presented for modeling lateral movement attacks and for proposing a methodology for designing resilient cyber systems against such attacks. The enterprise is modeled as a tripartite graph capturing the interaction between users, machines, and applications, and a set of procedures is proposed to harden the network by increasing the cost of lateral movement. Strong theoretical guarantees on system resilience are established and experimentally validated for large enterprise networks.

cs.CR↗

A Chronological Edge-Driven Approach to Temporal Subgraph Isomorphism

Many real world networks are considered temporal networks, in which the chronological ordering of the edges has importance to the meaning of the data. Performing temporal subgraph matching on such graphs requires the edges in the subgraphs to match the order of the temporal graph motif we are searching for. Previous methods for solving this rely on the use of static subgraph matching to find potential matches first, before filtering them based on edge order to find the true temporal matches. We present a new algorithm for temporal subgraph isomorphism that performs the subgraph matching directly on the chronologically sorted edges. By restricting our search to only the subgraphs with chronologically correct edges, we can improve the performance of the algorithm significantly. We present experimental timing results to show significant performance improvements on publicly available datasets for a number of different temporal query graph motifs with four or more nodes. We also demonstrate a practical example of how temporal subgraph isomorphism can produce more meaningful results than traditional static subgraph searches.

cs.DS↗

NOUS: Construction and Querying of Dynamic Knowledge Graphs

The ability to construct domain specific knowledge graphs (KG) and perform question-answering or hypothesis generation is a transformative capability. Despite their value, automated construction of knowledge graphs remains an expensive technical challenge that is beyond the reach for most enterprises and academic institutions. We propose an end-to-end framework for developing custom knowledge graph driven analytics for arbitrary application domains. The uniqueness of our system lies A) in its combination of curated KGs along with knowledge extracted from unstructured text, B) support for advanced trending and explanatory questions on a dynamic KG, and C) the ability to answer queries where the answer is embedded across multiple data sources.

cs.DB↗

Multi-centrality Graph Spectral Decompositions and their Application to Cyber Intrusion Detection

Many modern datasets can be represented as graphs and hence spectral decompositions such as graph principal component analysis (PCA) can be useful. Distinct from previous graph decomposition approaches based on subspace projection of a single topological feature, e.g., the Fiedler vector of centered graph adjacency matrix (graph Laplacian), we propose spectral decomposition approaches to graph PCA and graph dictionary learning that integrate multiple features, including graph walk statistics, centrality measures and graph distances to reference nodes. In this paper we propose a new PCA method for single graph analysis, called multi-centrality graph PCA (MC-GPCA), and a new dictionary learning method for ensembles of graphs, called multi-centrality graph dictionary learning (MC-GDL), both based on spectral decomposition of multi-centrality matrices. As an application to cyber intrusion detection, MC-GPCA can be an effective indicator of anomalous connectivity pattern and MC-GDL can provide discriminative basis for attack classification.

cs.SI↗

Trust from the past: Bayesian Personalized Ranking based Link Prediction in Knowledge Graphs

Link prediction, or predicting the likelihood of a link in a knowledge graph based on its existing state is a key research task. It differs from a traditional link prediction task in that the links in a knowledge graph are categorized into different predicates and the link prediction performance of different predicates in a knowledge graph generally varies widely. In this work, we propose a latent feature embedding based link prediction model which considers the prediction task for each predicate disjointly. To learn the model parameters it utilizes a Bayesian personalized ranking based optimization technique. Experimental results on large-scale knowledge bases such as YAGO2 show that our link prediction approach achieves substantially higher performance than several state-of-art approaches. We also show that for a given predicate the topological properties of the knowledge graph induced by the given predicate edges are key indicators of the link prediction performance of that predicate in the knowledge graph.

cs.LG↗

A Selectivity based approach to Continuous Pattern Detection in Streaming Graphs

Cyber security is one of the most significant technical challenges in current times. Detecting adversarial activities, prevention of theft of intellectual properties and customer data is a high priority for corporations and government agencies around the world. Cyber defenders need to analyze massive-scale, high-resolution network flows to identify, categorize, and mitigate attacks involving networks spanning institutional and national boundaries. Many of the cyber attacks can be described as subgraph patterns, with prominent examples being insider infiltrations (path queries), denial of service (parallel paths) and malicious spreads (tree queries). This motivates us to explore subgraph matching on streaming graphs in a continuous setting. The novelty of our work lies in using the subgraph distributional statistics collected from the streaming graph to determine the query processing strategy. We introduce a "Lazy Search" algorithm where the search strategy is decided on a vertex-to-vertex basis depending on the likelihood of a match in the vertex neighborhood. We also propose a metric named "Relative Selectivity" that is used to select between different query processing strategies. Our experiments performed on real online news, network traffic stream and a synthetic social network benchmark demonstrate 10-100x speedups over selectivity agnostic approaches.

cs.DB↗

Query Optimization for Dynamic Graphs

Given a query graph that represents a pattern of interest, the emerging pattern detection problem can be viewed as a continuous query problem on a dynamic graph. We present an incremental algorithm for continuous query processing on dynamic graphs. The algorithm is based on the concept of query decomposition; we decompose a query graph into smaller subgraphs and assemble the result of sub-queries to find complete matches with the specified query. The novelty of our work lies in using the subgraph distributional statistics collected from the dynamic graph to generate the decomposition. We introduce a "Lazy Search" algorithm where the search strategy is decided on a vertex-to-vertex basis depending on the likelihood of a match in the vertex neighborhood. We also propose a metric named "Relative Selectivity" that is used to select between different query decomposition strategies. Our experiments performed on real online news, network traffic stream and a synthetic social network benchmark demonstrate 10-100x speedups over competing approaches.

cs.DB↗

Benchmarking Named Entity Disambiguation approaches for Streaming Graphs

Named Entity Disambiaguation (NED) is a central task for applications dealing with natural language text. Assume that we have a graph based knowledge base (subsequently referred as Knowledge Graph) where nodes represent various real world entities such as people, location, organization and concepts. Given data sources such as social media streams and web pages Entity Linking is the task of mapping named entities that are extracted from the data to those present in the Knowledge Graph. This is an inherently difficult task due to several reasons. Almost all these data sources are generated without any formal ontology; the unstructured nature of the input, limited context and the ambiguity involved when multiple entities are mapped to the same name make this a hard task. This report looks at two state of the art systems employing two distinctive approaches: graph based Accurate Online Disambiguation of Entities (AIDA) and Mined Evidence Named Entity Disambiguation (MENED), which employs a statistical inference approach. We compare both approaches using the data set and queries provided by the Knowledge Base Population (KBP) track at 2011 NIST Text Analytics Conference (TAC). This report begins with an overview of the respective approaches, followed by detailed description of the experimental setup. It concludes with our findings from the benchmarking exercise.

cs.CL↗

Fast Search for Dynamic Multi-Relational Graphs

Acting on time-critical events by processing ever growing social media or news streams is a major technical challenge. Many of these data sources can be modeled as multi-relational graphs. Continuous queries or techniques to search for rare events that typically arise in monitoring applications have been studied extensively for relational databases. This work is dedicated to answer the question that emerges naturally: how can we efficiently execute a continuous query on a dynamic graph? This paper presents an exact subgraph search algorithm that exploits the temporal characteristics of representative queries for online news or social media monitoring. The algorithm is based on a novel data structure called the Subgraph Join Tree (SJ-Tree) that leverages the structural and semantic characteristics of the underlying multi-relational graph. The paper concludes with extensive experimentation on several real-world datasets that demonstrates the validity of this approach.

cs.DB↗

StreamWorks - A system for Dynamic Graph Search

Acting on time-critical events by processing ever growing social media, news or cyber data streams is a major technical challenge. Many of these data sources can be modeled as multi-relational graphs. Mining and searching for subgraph patterns in a continuous setting requires an efficient approach to incremental graph search. The goal of our work is to enable real-time search capabilities for graph databases. This demonstration will present a dynamic graph query system that leverages the structural and semantic characteristics of the underlying multi-relational graph.

cs.DB↗

Towards a Networks-of-Networks Framework for Cyber Security

Networks-of-networks (NoN) is a graph-theoretic model of interdependent networks that have distinct dynamics at each network (layer). By adding special edges to represent relationships between nodes in different layers, NoN provides a unified mechanism to study interdependent systems intertwined in a complex relationship. While NoN based models have been proposed for cyber-physical systems, in this position paper we build towards a three-layered NoN model for an enterprise cyber system. Each layer captures a different facet of a cyber system. We present in-depth discussion for four major graph- theoretic applications to demonstrate how the three-layered NoN model can be leveraged for continuous system monitoring and mission assurance.

cs.CR↗

Continuous Queries for Multi-Relational Graphs

Acting on time-critical events by processing ever growing social media or news streams is a major technical challenge. Many of these data sources can be modeled as multi-relational graphs. Continuous queries or techniques to search for rare events that typically arise in monitoring applications have been studied extensively for relational databases. This work is dedicated to answer the question that emerges naturally: how can we efficiently execute a continuous query on a dynamic graph? This paper presents an exact subgraph search algorithm that exploits the temporal characteristics of representative queries for online news or social media monitoring. The algorithm is based on a novel data structure called the Subgraph Join Tree (SJ-Tree) that leverages the structural and semantic characteristics of the underlying multi-relational graph. The paper concludes with extensive experimentation on several real-world datasets that demonstrates the validity of this approach.

cs.DB↗