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Pseudo-Poincaré: A Unification Framework for Euclidean and Hyperbolic Graph Neural Networks



Mehrdad Khatir , Nurendra Choudhary , Sutanay Choudhury , Khushbu Agarwal , Chandan K. Reddy


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TorchNTK: A Library for Calculation of Neural Tangent Kernels of PyTorch Models



Andrew Engel , Zhichao Wang , Anand D. Sarwate , Sutanay Choudhury , Tony Chiang

* 19 pages, 5 figures 

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Attention-based Aspect Reasoning for Knowledge Base Question Answering on Clinical Notes



Ping Wang , Tian Shi , Khushbu Agarwal , Sutanay Choudhury , Chandan K. Reddy


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Evening the Score: Targeting SARS-CoV-2 Protease Inhibition in Graph Generative Models for Therapeutic Candidates



Jenna Bilbrey , Logan Ward , Sutanay Choudhury , Neeraj Kumar , Ganesh Sivaraman

* Published at ICLR 2021 Workshop on Machine Learning for Preventing and Combating Pandemics 
* arXiv admin note: substantial text overlap with arXiv:2102.04977 

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



Logan Ward , Jenna A. Bilbrey , Sutanay Choudhury , Neeraj Kumar , Ganesh Sivaraman


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



Sutanay Choudhury , Jenna A. Bilbrey , Logan Ward , Sotiris S. Xantheas , Ian Foster , Joseph P. Heindel , Ben Blaiszik , Marcus E. Schwarting

* Machine Learning and the Physical Sciences Workshop at the 34th Conference on Neural Information Processing Systems (NeurIPS) 

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



Ping Wang , Khushbu Agarwal , Colby Ham , Sutanay Choudhury , Chandan K. Reddy


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



Khushbu Agarwal , Tome Eftimov , Raghavendra Addanki , Sutanay Choudhury , Suzanne Tamang , Robert Rallo

* 2019 KDD Workshop on Applied Data Science for Healthcare (DSHealth '19). https://gitlab.com/agarwal.khushbu/Snomed2Vec 

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



Pin-Yu Chen , Sutanay Choudhury , Alfred O. Hero

* To appear in ICASSP 2016 

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