Publications
] , "Application of Transformers in Cheminformatics", Journal of Chemical Information and Modeling, vol. 64, pp. 4392-4409, 05/2024.
, "DGCLUSTER: A Neural Framework for Attributed Graph Clustering via Modularity Maximization", The 38th Annual AAAI Conference on Artificial Intelligence (AAAI'24), 2024.
, "Global Human-guided Counterfactual Explanations for Molecular Properties via Reinforcement Learning", Proceedings of the 30th ACM SIGKDD Conference on Knowledge Discovery and Data Mining, New York, NY, USA, Association for Computing Machinery, 2024.
, "GNNX-BENCH: Unravelling the Utility of Perturbation-based GNN Explainers through In-depth Benchmarking", The Twelfth International Conference on Learning Representations (ICLR), 2024.
, "Learning Neural Contracting Dynamics: Extended Linearization and Global Guarantees", CoRR, vol. abs/2402.08090, 2024.
, "AI Decision Systems with Feedback Loop Active Learner", WSDM Crowd Science Workshop, 2023.
, "Computationally Designed Molecules Modulate ALS-Related Amyloidogenic TDP-43307–319 Aggregation", ACS Chemical Neuroscience, vol. 14, pp. 4395–4408, 2023.
, "Computationally designed small molecules disassemble both soluble oligomers and protofibrils of amyloid β-protein responsible for Alzheimer’s disease", ACS Chemical Neuroscience, vol. 14, pp. 2717–2726, 2023.
, "Feature-based Individual Fairness in k-Clustering", International Conference on Autonomous Agents and Multiagent Systems (AAMAS Extended Abstract), 2023.
, "Fragment-based Pretraining and Finetuning on Molecular Graphs", Thirty-seventh Conference on Neural Information Processing Systems (NeurIPS), 2023.
, "Global Counterfactual Explainer for Graph Neural Networks", Web Search and Data Mining (WSDM), 02/2023.
, "Graph Macro Dynamics with Self-Attention for Event Detection", Deep Learning on Graphs: Methods and Applications (DLG-AAAI), 02/2023.
, "Inference of Infrastructure Network Flows via Physics-Inspired Implicit Neural Networks", IEEE Conference on Control Technology and Applications, CCTA 2023, Bridgetown, Barbados, August 16-18, 2023: IEEE, 2023.
, "Learning Prototype Classifiers for Long-Tailed Recognition", Proceedings of the Thirty-Second International Joint Conference on Artificial Intelligence, IJCAI 2023, 19th-25th August 2023, Macao, SAR, China: ijcai.org, 2023.
, "Approximate Algorithms for Data-Driven Influence Limitation", IEEE Trans. Knowl. Data Eng., vol. 34, pp. 2641–2652, 2022.
, "Deep Representations for Time-varying Brain Datasets", KDD '22: The 28th ACM SIGKDD Conference on Knowledge Discovery and Data Mining, Washington, DC, USA, August 14 - 18, 2022: ACM, 2022.
, "FlowGEN: A Generative Model for Flow Graphs", KDD '22: The 28th ACM SIGKDD Conference on Knowledge Discovery and Data Mining, Washington, DC, USA, August 14 - 18, 2022: ACM, 2022.
, "Graph Neural Diffusion Networks for Semi-supervised Learning", CoRR, vol. abs/2201.09698, 2022.
, "Incorporating Heterophily into Graph Neural Networks for Graph Classification", CoRR, vol. abs/2203.07678, 2022.
, "Learning Deep Graph Representations via Convolutional Neural Networks", IEEE Trans. Knowl. Data Eng., vol. 34, pp. 2268–2279, 2022.
, "Mind Reader: Reconstructing complex images from brain activities", Thirty-sixth Conference on Neural Information Processing Systems (NeurIPS), 2022.
, "Modeling Human-AI Team Decision Making", CoRR, vol. abs/2201.02759, 2022.
, "Multi-Resolution Attention for Personalized Item Search", WSDM '22: The Fifteenth ACM International Conference on Web Search and Data Mining, Virtual Event / Tempe, AZ, USA, February 21 - 25, 2022: ACM, 2022.
, "POLE: Polarized Embedding for Signed Networks", WSDM '22: The Fifteenth ACM International Conference on Web Search and Data Mining, Virtual Event / Tempe, AZ, USA, February 21 - 25, 2022: ACM, 2022.
, "Predictive models for human–AI nexus in group decision making", Annals of the New York Academy of Sciences, vol. 1514, pp. 70–81, 2022.
, "A Broader Picture of Random-walk Based Graph Embedding", KDD '21: The 27th ACM SIGKDD Conference on Knowledge Discovery and Data Mining, Virtual Event, Singapore, August 14-18, 2021: ACM, 2021.
, "Combining Physics and Machine Learning for Network Flow Estimation", 9th International Conference on Learning Representations, ICLR 2021, Virtual Event, Austria, May 3-7, 2021: OpenReview.net, 2021.
, "Group Testing on a Network", AAAI Conference on Artificial Intelligence, 2021.
, "Incorporating User's Preference into Attributed Graph Clustering", IEEE Trans. Knowl. Data Eng., vol. 33, pp. 3716–3728, 2021.
, "Tree++: Truncated Tree Based Graph Kernels", IEEE Trans. Knowl. Data Eng., vol. 33, pp. 1778–1789, 2021.
, "Approximate Algorithms for Data-driven Influence Limitation", IEEE Transactions on Knowledge and Data Engineering (TKDE), 2020.
, "DANR: Discrepancy-aware Network Regularization", SIAM International Conference on Data Mining (SDM), 2020.
, "Expertise and confidence explain how social influence evolves along intellective tasks", CoRR, vol. abs/2011.07168, 2020.
, "A Game Theoretic Approach For Core Resilience", IJCAI, 2020.
, "A Game Theoretic Approach For k-Core Minimization ", AAMAS, 2020.
, "GCOMB: Learning Budget-constrained Combinatorial Algorithms over Billion-sized Graphs", Thirty-fourth Conference on Neural Information Processing Systems (NeurIPS), 2020.
, "Estimating localized complexity of white-matter wiring with GANs", Medical Imaging meets NeurIPS, 2019.
, "Modulating ALS-Related Amyloidogenic TDP-43307–319 Oligomeric Aggregates with Computationally Derived Therapeutic Molecules", Biochemistry, vol. 59, pp. 499–508, 2019.
, "On Multi-Dimensional Team Formation", Proceedings of the 31st Canadian Conference on Computational Geometry, CCCG 2019, August 8-10, 2019, University of Alberta, Edmonton, Alberta, Canada, 2019.
, "Group centrality maximization via network design", SIAM International Conference on Data Mining (SDM), 2018.
, "Inhibiting and remodeling toxic amyloid-beta oligomer formation using a computationally designed drug molecule that targets Alzheimer’s disease", Journal of The American Society for Mass Spectrometry, vol. 30, pp. 85–93, 2018.
, "Learning Multiclassifiers with Predictive Features that Vary with Data Distribution", IEEE International Conference on Big Data (IEEE BigData 2018), Seattle, WA, USA, December 10-13, 2018: IEEE, 2018.
, "Making a Small World Smaller: Path Optimization in Networks", IEEE Transactions on Knowledge and Data Engineering (TKDE), 2018.
, "Noticeable Network Delay Minimization via Node Upgrades", International Conference on Very Large Data Bases (VLDB), 2018.
, "Spatial coherence of oriented white matter microstructure: Applications to white matter regions associated with genetic similarity", NeuroImage, 2018.
, " Spectral Algorithms for Temporal Graph Cuts", The Web Conference (WWW), 2018.
, "Summarizing Network Processes with Network-constrained Boolean Matrix Factorization", IEEE International Conference on Data Mining (ICDM), 2018.
, "A Distance Measure for the Analysis of Polar Opinion Dynamics in Social Networks", IEEE International Conference on Data Engineering (ICDE), San Diego, California, US, IEEE, 04/2017.
, "GPOP: Scalable Group-level Popularity Prediction for Online Content in Social Networks", Proceedings of the 26th International Conference on World Wide Web, 2017.
, "Learning about learning: Mining human brain sub-network biomarkers from fMRI data", PLoS one, vol. 12, pp. e0184344, 2017.
, "Modeling the Co-evolution of Committee Formation and Awareness Networks in Organizations", Complex Networks & Their Applications VI - Proceedings of Complex Networks 2017 (The Sixth International Conference on Complex Networks and Their Applications), COMPLEX NETWORKS 2017, Lyon, France, November 29 - December 1, 2017: Springer, 2017.
, "Polar Opinion Dynamics in Social Networks", IEEE Transactions on Automatic Control (TAC), 2017.
, "Predictive Modeling and Scalability Analysis for Large Graph Analytics", IFIP/IEEE International Symposium on Integrated Network Management, {IM} 2017, 8-12 May, Lisbon, Portugal, 2017.
, "The Spread of Physical Activity Through Social Networks", Proceedings of the 26th International Conference on World Wide Web: ACM, 2017.
, "Subnetwork Mining with Spatial and Temporal Smoothness", SIAM international conference on data mining (SDM), 2017.
, "Through the Grapevine: A Comparison of News in Microblogs and Traditional Media", Trends in Social Network Analysis: Information Propagation, User Behavior Modeling, Forecasting, and Vulnerability Assessment, pp. 135–168, 2017.
, "Topology Design Games and Dynamics in Adversarial Environments", IEEE Journal on Selected Areas in Communications, vol. 35, pp. 628–642, 2017.
, "Dynamics of Collective Performance in Collaboration Networks", XXXVI International Sunbelt Conference, Newport Beach, California, US, International Network for Social Network Analysis (INSNA), 2016.
, "FCCF: forecasting citywide crowd flows based on big data", Proceedings of the 24th ACM SIGSPATIAL International Conference on Advances in Geographic Information Systems: ACM, 2016.
, "Graph Wavelets via Sparse Cuts", Proceedings of the 22nd ACM SIGKDD International Conference on Knowledge Discovery and Data Mining, 2016.
, "Inferring causal molecular networks: empirical assessment through a community-based effort", Nature methods, vol. 13, pp. 310–318, 2016.
, "Nearest Keyword Set Search in Multi-Dimensional Datasets", {IEEE} Trans. Knowl. Data Eng., vol. 28, pp. 741–755, 2016.
, "Outlier Detection from Network Data with Subnetwork Interpretation", IEEE International Conference Data Mining (ICDM), 2016.
, "Sign prediction in social networks based on users reputation and optimism", Social Network Analysis and Mining, vol. 6, pp. 91, 2016.
, "Topology design under adversarial dynamics", 14th International Symposium on Modeling and Optimization in Mobile, Ad Hoc, and Wireless Networks, WiOpt 2016, Tempe, AZ, USA, May 9-13, 2016, 2016.
, "Towards Scalable Network Delay Minimization", {IEEE} 16th International Conference on Data Mining, {ICDM} 2016, December 12-15, 2016, Barcelona, Spain, 2016.
, "Behavior Query Discovery in System-Generated Temporal Graphs", {PVLDB}, vol. 9, pp. 240–251, 2015.
, "Beyond Models: Forecasting Complex Network Processes Directly from Data", Proceedings of the 24th International Conference on World Wide Web, {WWW} 2015, Florence, Italy, May 18-22, 2015, pp. 885–895, 2015.
, "Discovery of LRRK2 inhibitors using sequential in silico joint pharmacophore space (JPS) and ensemble docking", Bioorganic & medicinal chemistry letters, vol. 25, pp. 2713–2719, 2015.
, "Herding "small" streaming queries", Proceedings of the 9th {ACM} International Conference on Distributed Event-Based Systems, {DEBS} '15, Oslo, Norway, June 29 - July 3, 2015, 2015.
, "Hierarchical in-network attribute compression via importance sampling", 31st {IEEE} International Conference on Data Engineering, {ICDE} 2015, Seoul, South Korea, April 13-17, 2015, pp. 951–962, 2015.
, "Learning Predictive Substructures with Regularization for Network Data", Data Mining (ICDM), 2015 IEEE International Conference on: IEEE, 2015.
, "Answering top-k representative queries on graph databases", International Conference on Management of Data, {SIGMOD} 2014, Snowbird, UT, USA, June 22-27, 2014, pp. 1163–1174, 2014.
, "Applications of Top-k Representative Queries", Proceedings of the Sixth Workshop on Semantic Web Information Management, {SWIM} 2014, Snowbird, UT, USA, June 22-27, 2014, pp. 40:1–40:2, 2014.
, "Base motif recognition and design of DNA templates for fluorescent silver clusters by machine learning", Advanced Materials, vol. 26, pp. 5839–5845, 2014.
, "Cloud service placement via subgraph matching", {IEEE} 30th International Conference on Data Engineering, Chicago, {ICDE} 2014, IL, USA, March 31 - April 4, 2014, pp. 832–843, 2014.
, "On Critical Event Observability Using Social Networks: A Disaster Monitoring Perspective", Military Communications Conference (MILCOM), 2014 IEEE: IEEE, 2014.
, "Discriminative Subnetworks with Regularized Spectral Learning for Global-State Network Data", Machine Learning and Knowledge Discovery in Databases - European Conference, {ECML} {PKDD} 2014, Nancy, France, September 15-19, 2014. Proceedings, Part {I}, pp. 290–306, 2014.
, "Modeling individual topic-specific behavior and influence backbone networks in social media", Social Netw. Analys. Mining, vol. 4, no. 1, pp. 204, 2014.
, "Nearest Keyword Set Search in Multi-dimensional Datasets", CoRR, vol. abs/1409.3867, 2014.
, "Structure and evolution of missed collaborations in large networks", 2014 Proceedings {IEEE} {INFOCOM} Workshops, Toronto, ON, Canada, April 27 - May 2, 2014, pp. 849–854, 2014.
, "Towards scalable critical alert mining", The 20th {ACM} {SIGKDD} International Conference on Knowledge Discovery and Data Mining, {KDD} '14, New York, NY, {USA} - August 24 - 27, 2014, pp. 1057–1066, 2014.
, "Accurate and scalable nearest neighbors in large networks based on effective importance", 22nd {ACM} International Conference on Information and Knowledge Management, CIKM'13, San Francisco, CA, USA, October 27 - November 1, 2013, pp. 1009–1018, 2013.
, "As Strong as the Weakest Link: Mining Diverse Cliques in Weighted Graphs", Machine Learning and Knowledge Discovery in Databases - European Conference, {ECML} {PKDD} 2013, Prague, Czech Republic, September 23-27, 2013, Proceedings, Part {I}, pp. 525–540, 2013.
, "Efficient tracking and querying for coordinated uncertain mobile objects", 29th {IEEE} International Conference on Data Engineering, {ICDE} 2013, Brisbane, Australia, April 8-12, 2013, pp. 182–193, 2013.
, "I act, therefore I judge: network sentiment dynamics based on user activity change", Advances in Social Networks Analysis and Mining 2013, {ASONAM} '13, Niagara, ON, Canada - August 25 - 29, 2013, pp. 396–402, 2013.
, "Mining discriminative subgraphs from global-state networks", The 19th {ACM} {SIGKDD} International Conference on Knowledge Discovery and Data Mining, {KDD} 2013, Chicago, IL, USA, August 11-14, 2013, pp. 509–517, 2013.
, "Mining Evolving Network Processes", 2013 {IEEE} 13th International Conference on Data Mining, Dallas, TX, USA, December 7-10, 2013, pp. 537–546, 2013.
, "NetSpot: Spotting Significant Anomalous Regions on Dynamic Networks", Proceedings of the 13th {SIAM} International Conference on Data Mining, May 2-4, 2013. Austin, Texas, {USA.}, pp. 28–36, 2013.
, "Quantifying spatial relationships from whole retinal images", Bioinformatics, vol. 29, no. 7, pp. 940–946, 2013.
, "Sensing for Mobile Objects", Managing and Mining Sensor Data, pp. 299–348, 2013.
, "The Social Media Genome: Modeling Individual Topic-Specific Behavior in Social Media", CoRR, vol. abs/1307.0309, 2013.
, "The social media genome: modeling individual topic-specific behavior in social media", Advances in Social Networks Analysis and Mining 2013, {ASONAM} '13, Niagara, ON, Canada - August 25 - 29, 2013, pp. 236–242, 2013.
, "Static and Dynamic Structural Correlations in Graphs", {IEEE} Trans. Knowl. Data Eng., vol. 25, no. 9, pp. 2147–2160, 2013.
, "Bisque: Advances in Bioimage Databases", {IEEE} Data Eng. Bull., vol. 35, no. 3, pp. 56–64, 2012.
, "Efficient multicasting for delay tolerant networks using graph indexing", Proceedings of the {IEEE} {INFOCOM} 2012, Orlando, FL, USA, March 25-30, 2012, pp. 1386–1394, 2012.
, "Indexing and mining topological patterns for drug discovery", 15th International Conference on Extending Database Technology, {EDBT} '12, Berlin, Germany, March 27-30, 2012, Proceedings, pp. 562–565, 2012.
, "Inferring the Underlying Structure of Information Cascades", CoRR, vol. abs/1210.3587, 2012.
, "Inferring the Underlying Structure of Information Cascades", 12th {IEEE} International Conference on Data Mining, {ICDM} 2012, Brussels, Belgium, December 10-13, 2012, pp. 1218–1223, 2012.