Anuj Karpatne

Works in AI ⇄ Science | Knowledge-guided ML

AK_VT_pic3.jpg

Hi, I am an Associate Professor in the Department of Computer Science at Virginia Tech (VT) where I lead the KGML-Lab LogoKnowledge-guided Machine Learning (KGML) Lab. I joined VT in 2018 as an Assistant Professor and received tenure in 2023. Before that, I was a PhD student at the University of Minnesota working with Prof. Vipin Kumar on understanding climate change using data-driven approaches. This exposed me to problems in science where there is a wealth of scientific knowledge available to be incorporated in machine learning (ML) algorithms to go beyond "black-box" applications of ML in science, giving rise to a new field of knowledge-guided ML (KGML).

My research vision is to establish KGML as a thriving area of research that serves as a nucleus for foundational innovations in AI/ML to produce scientifically grounded, explainable, and generalizable solutions, driven by inter-disicplinary problems in science that impact society. My lab has contributed several themes of research in KGML for incorporating scientific knowledge in ML including knowledge-guided (KG)-Loss Functions, KG-Neural Architectures, KG-Pretraining, and Hybrid-Science-ML Modeling (see Publications for a categorization of papers in each theme). This has been possible thanks to the amazing set of collaborators I have been fortunate to work with from diverse scientific disciplines including physics (fluid dynamics, quantum mechanics, and electromagnetism), environmental sciences (aquatic sciences, remote sensing, and geophysics), and biology (organismal biology, virology, and mechanobiology) with generous support from NSF (see Funding for a list of awards and collaborators).

To learn more about my research, please visit the KGML-Lab Website.

Recent News

Sep 06, 2024 :fire: Three recent preprints now out on Arxiv.
  1. HComp-Net: An explainability tool for discovering evolutionary traits as hierarchical prototypes.
  2. VLM4Bio: A benchmark to evaluate zero-shot effectiveness of VLMs in organismal biology.
  3. Fish-Vista: A benchmark dataset for identifying biological traits from images.
Aug 26, 2024 :studio_microphone: Gave a keynote talk at the Fragile Earth: Generative and Foundational Models for Sustainable Development Workshop at KDD 2024.
Aug 22, 2024 NSF Honored to be part of the $18M NSF PIPP Phase II Institute grant as co-PI on “Community Empowering Pandemic Prediction and Prevention from Atoms to Societies (COMPASS)” (see VT News story).
Aug 15, 2024 :sparkles: Invited to serve as an Associate Editor for the ACM Transactions on Knowledge Discovery from Data (TKDD) journal.
Aug 07, 2024 :zap: :loudspeaker: Co-organized the KGML 2024 Workshop at the University of Minnesota in Minneapolis. See Tutorial Video on KGML that I gave at the workshop providing an overview of the landscape of research in KGML.
Aug 06, 2024 :studio_microphone: Gave a talk at the 2nd NSF Workshop on AI-Enabled Scientific Revolution at the University of Minnesota in Minneapolis.
Jul 31, 2024 :page_facing_up: Paper on Phylogeny-guided Diffusion got accepted at ECCV 2024.
Jul 27, 2024 :page_facing_up: Paper on NeuroVisualizer presented at ICML 2024.
Jul 26, 2024 :zap: Co-organized the Summer Tutorial on KGML at Oak Ridge National Laboratory (ORNL).
May 07, 2024 NSF :us: Honored to receive an NSF NAIRR Pilot award invited to speak at the White House on building “LakeGPT - a foundation model for aquatic sciences powered by KGML”. See media coverage of this event in Science Magazine News, VT News, and UMN CSE Department News
Apr 29, 2024 :loudspeaker: Our recent project on studying food-energy-water nexus in the Mekong River Basin was highlighted in a VT News story.
Feb 26, 2024 :zap: Co-organized the First Workshop on Imageomics at AAAI 2024.
Feb 21, 2024 :page_facing_up: Paper on Modular Compositional Learning (MCL) published at the Journal of Advances in Modeling Earth Systems (JAMES).
Feb 21, 2024 :zap: Co-organized the First Bridge Program on KGML at AAAI 2024.
Feb 15, 2024 :page_facing_up: Paper on MEMTrack published at the Journal of Advanced Intelligent Systems.

Selected Papers

  1. ArXiv
    kgml_overview_2024.png
    Knowledge-guided Machine Learning: Current Trends and Future Prospects
    Anuj Karpatne, Xiaowei Jia, and Vipin Kumar
    arXiv preprint arXiv:2403.15989, 2024
  2. TKDE
    kgml_tkde_2017.png
    Theory-guided data science: A new paradigm for scientific discovery from data
    Anuj Karpatne, Gowtham Atluri, James H Faghmous, and 6 more authors
    IEEE Transactions on knowledge and data engineering, 2017