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U-M Knowledge-Guided Machine Learning (KGML) Workshop: Leading the New Paradigm of AI for Science

August 4, 6:00 PM - August 8, 2025, 5:00 PM

Michigan League, 3rd Floor, Koessler Room
911 N University Ave
Ann Arbor, MI 48109

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This workshop is sponsored by Schmidt Sciences
Schmidt Sciences

What is KGML?

Knowledge-Guided Machine Learning (KGML) is a rapidly emerging field that integrates physics-based principles of scientific knowledge with machine learning algorithms. Unlike traditional machine learning which relies solely on data for learning patterns, KGML incorporates physical laws—often expressed as partial differential equations (PDEs), conservation laws, or symmetries—directly into the model’s design, training, or constraints. As more scientists start to realize the shortfalls of data-driven machine learning, from being uninterpretable, non-extrapolatable, and unaccountable, KGML has emerged as a powerful alternative. By embedding domain knowledge into learning workflows, KGML offers a more reliable, explainable, and scientifically grounded approach to AI. Knowledge-guided machine learning thus becomes the frontier of AI for Science (AI4S).

Why Join Us?

If you are a scientist, engineer, or AI researcher passionate about solving real-world problems with principled and interpretable machine learning, this workshop is for you.

Join us to:

  • Learn state-of-the-art KGML tools: Gain hands-on experience with modern frameworks including differentiable simulations, hybrid modeling, and equivariant networks.
  • Discover domain-specific strategies: Understand how KGML is already transforming fields from biology and chemistry to environmental science and civil engineering, and how it can transform yours.
  • Work on real challenges: Participate in an interdisciplinary hackathon where you will team up with peers from diverse domains to solve scientific problems using KGML.
  • Build lasting collaborations: Connect with researchers across institutions to spark new collaborations, exchange ideas, and build a vibrant KGML community.

KGML is not just a method—it’s a mindset. Join us to be part of the next wave of AI for Science!

Workshop Overview

This workshop will train participants in Knowledge-Guided Machine Learning (KGML). This transformative approach integrates scientific principles (e.g., physical laws, conservation laws, or symmetries) into the design, training, and constraints of machine learning models. Unlike purely data-driven ML, KGML enhances accuracy, interpretability, and trustworthiness, making it especially suitable for high-stakes applications. This workshop will empower fellows to lead the next wave of scientific discovery by bridging domain knowledge with machine learning.

Speakers

Keynote Speakers

H. V. Jagadish
H. V. Jagadish
Edgar F Codd Distinguished University Professor and Bernard A Galler Collegiate Professor. EECS, College of Engineering; MIDAS Director
Anuj Karpatne
Associate Professor in the Department of Computer Science, Virginia Tech
lu lu
Lu Lu
Assistant Professor of Statistics and Data Science, Yale University

Coding Tutors

Chaopeng Shen
Professor, Civil and Environmental Engineering, Pennsylvania State University
Avik Biswas
University of California San Diego and Salk Institute
Haoyang Jiang
College of William & Mary
Yasmin Kassim
University of California San Diego
Zongyi Li
Computing and Mathematical Science, California Institute of Technology
Feng Tao
Ecology & Evolutionary Biology, Cornell University
Changwen Xu
University of Michigan

Schedule

8:00 AM
Breakfast
8:45 AM
Keynote Speaker: H. V. Jagadish
9:45 AM
Tea break + Social
10:30 AM
Invited Speaker: Venkat Viswanathan
11:30 AM
Lunch + Social
1:00 PM
Tutorial 1: Differentiable Programming in Environmental Modeling — Training Neural Networks and Process Equations Together for Knowledge Discovery presented by Chaopeng Shen
3:00 PM
Tea break
3:15 PM
Tutorial 2: Foundation Models presented by Changwen Xu
8:00 AM
Breakfast
8:45 AM
Keynote Speaker: From Centralized to Federated Physics-Informed Deep Learning: Accuracy, Scalability, and Reliability by Lu Lu
9:45 AM
Tea break
10:00 AM
Tutorial 3: Topology-Aware Graph Neural Networks by Physics presented by Haoyang Jiang
12:00 PM
Lunch
1:00 PM
Tutorial 4: Neural Operator for Scientific Computing presented by Zongyi Li
3:00 PM
Tea break
3:15 PM
Sport Activities at Sports Coliseum Gym
8:00 AM
Breakfast
8:45 AM
Talks by Participants
9:45 AM
Tea break
10:00 AM
Tutorial 5: From Data to Discovery: Applying Computer Vision for Scientific Image Analysis with Vascilia + Napar presented by Yasmin Kassim
12:00 PM
Lunch
1:00 PM
Tutorial 6: presented by Jeong Joon Park
3:00 PM
Tea break
3:15 PM
Hackathon
8:00 AM
Breakfast
8:45 AM
Keynote Speaker: Navigating Research Landscape in Knowledge-guided Machine Learning: Problems, Methods, and Emerging Opportunities by Anuj Karpatne
9:45 AM
Tea break
10:00 AM
Tutorial 7: Biogeochemistry Informed Neural Network (BINN) for Scientific Discovery presented by Feng Tao
12:00 PM
Lunch
1:00 PM
Tutorial 8: Variational AutoEncoder (VAE) presented by Avik Biswas
3:00 PM
Tea break
3:15 PM
Hackathon Presentation + Awards + Closing Remarks

Attendees

Who Should Attend

The workshop is open to the public, and we aim to host up to 30 external participants, with priority given to Schmidt AI in Science Fellows and alumni. Ideal attendees include PhD students, postdoctoral researchers, or early-career faculty who:

  • Have strong research interests in applying knowledge-guided machine learning (KGML) to scientific disciplines such as biology, chemistry, physics, climate, environmental science, mechanical engineering, and computer science, and any related fields.
  • Are enthusiastic about integrating domain knowledge, including equations, process-based models, and theory, into machine learning workflows.

Logistics

Location & Venue

Michigan League, 3rd Floor, Koessler Room
911 N University Ave
Ann Arbor, MI 48109

Accomodation

The Kensington Hotel
3500 S State St
Ann Arbor, MI 48108

Dining

Breakfast, lunch and dinner at Michigan League

What’s Covered

  • Five nights of accommodation (for non U-M participants) from Aug 4th to Aug 9th.
  • All participants are invited to join the welcome reception.
  • All three meals during the workshop.
  • Transportation from hotel to workshop places.
  • Workshop swags to be released later.
  • Travel awards subject to availability.

What’s Not Covered

  • Travel: Participants are expected to pay their own travel. There are limited amount of travel awards to be applied in the application form.
  • Travel Insurance: Participants are encouraged to buy their own travel insurance.
  • All other items not mentioned in the “What’s Covered” section.

Contact

Questions? Contact Xiaofeng Liu at [email protected]