AI Innovation Institute

Abstract:
Quantifying similarity is a central notion in science and data analysis, pervading everything from phylogenetic trees to the foundation of clustering. Unfortunately, despite being examined and applied for decades, traditional similarity and distance metrics have fundamental drawbacks. The key problem is that all of them are only defined over pairs of objects, so they scale quadratically when one tries to compare N objects. The present explosion in the amount of data available to us requires new ways to process information, and while some current algorithms can handle millions of points, we need alternatives applicable to billions. This is what motivated us to develop a new framework that can compare any number of objects at the same time. With this, we achieve an unprecedented linear scaling when comparing multiple objects. Here we will discuss the main properties of this formalism, along with its applications in drug design and to the analysis of Molecular Dynamics (MD) simulations. Our indices have proven to be incredibly versatile when applied to chemical space exploration and visualization, allowing us to rigorously quantify the chemical diversity of very large molecular libraries. This has led to the creation of several algorithms to sample important regions in chemical space, including a more efficient way of identifying the prevalence of activity cliffs. Additionally, our indices provide a convenient route to sample complex MD trajectories, allowing to identify representative structures very efficiently. Moreover, we can also cluster biological ensembles in a more robust way than with standard algorithms, which has led to our group's work on MDANCE, a very flexible and efficient open-source clustering module. Drop by if you want to know how we clustered one billion molecules!


Speaker:
Assistant Professor, Department of Chemistry and Quantum Theory Project
University of Florida, Gainesville
Website: https://quintana.chem.ufl.edu/

Location:
Laufer Center Lecture Hall 101

You are cordially invited to attend the biweekly Brookhaven AI Mixer (BAM). BAM includes three short talks on AI research happening at BNL, followed by an open mixer over coffee and snacks for everyone to network and discuss all things AI. The first half hour will consist of presentations that will be available via ZOOM, and the second half hour will be for in person only networking.

Join us every other Tuesday at noon in CDSD's Training Room (building 725, 2nd floor) to learn about interesting AI methods and applications, engage with potential collaborators, prepare for pending FASST funding calls, and build a community of AI for Science at BNL.

Tuesday, November 12, 2024, 12:00 pm -- CDS, Bldg. 725, Training Room

Speakers

Carlos Soto, CDS

Yi Huang, CDS

Kevin Yager, CFN

Join Carnegie Mellon mathematics professor Po-Shen Loh for insights on navigating the AI revolution by embracing our humanity.

Dr. Loh brings a distinctive perspective shaped by his dual expertise: serving as national coach of the USA Mathematical Olympiad team (which has won four gold medals under his leadership) and developing innovative solutions for real-world challenges from pandemic response to educational technology.

Through his nationwide speaking tour that reached 250 audiences across 100 cities, he has refined a practical framework for thriving alongside AI.

In this presentation, Dr. Loh will explore how creative problem-solving, judgment, and communication become more valuable as automation grows -- and how students and professionals can build those strengths now.

The session includes real-world examples, guidance for education and careers, and a Q&A.

Speaker: Po-Shen Loh is a social entrepreneur and inventor, working across the spectrum of mathematics, education, and healthcare.

A math professor at Carnegie Mellon University, he also served a decade-long term as the national coach of the USA International Mathematical Olympiad (IMO) team, taking the team to gold on numerous occasions.

He has pioneered numerous innovations and has been featured in or co-created YouTube videos with more than 25 million views.

Location: Wang Center Theater

The series is offered by Stony Brook University's Institute for Creative Problem Solving in collaboration with the National Museum of Mathematics (MoMath) and Brookhaven National Laboratory.

The event is free but space is limited. Please register to reserve your space.

Join us to share your thoughts about teaching, learning, and AI!

The landscape of higher education is rapidly evolving with the integration of Artificial Intelligence (AI). Through the Institute on AI, Pedagogy, and the Curriculum with AAC&U, we are exploring ways that we can better address AI in teaching and learning. We want to hear your experiences, your concerns, and your ideas.

This is an open discussion for all faculty and staff to share their perspectives on the opportunities and challenges AI presents in our academic environment.

We'll be exploring critical questions like:

• In the age of AI, what are the opportunities you see for enriching the classroom and curriculum? How can it enhance student learning or your professional practice?

• What are the most significant challenges and concerns that AI raises for you regarding academics, student integrity, or your workload?

• What resources (tools, training, technical support, policy guidance, etc.) do you need to feel confident and successful in the age of AI?

Dates/Times:

• Tuesday, 2/3 at 2pm

• Friday, 2/6 at 9:30am

Please register in advance for the Zoom link.

Can't Make It? Share Your Feedback!

We understand schedules are tight. If you cannot attend the live discussion, you can still share your thoughts! Join our AI Zoom Room to share your thoughts via video recording or email rose.tirotta-esposito@stonybrook.edu with your comments and ideas.

Videos will not be shared publicly and comments will only be shared in aggregate.

Your input is vital. From pedagogy to assessment, your insights will be critical. We look forward to a thoughtful and productive conversation!

• Dr. Rose Tirotta-Esposito (Assistant Provost; Director of CELT)

• Dr. Elizabeth Hewitt (Associate Professor in the Department of Technology and Society (DTS) in the College of Engineering and Applied Sciences)

• Chris Kretz (Associate Librarian and Head of Academic Engagement at SBU Libraries)

• Prof. Rajiv Lajmi (Assistant Professor in the School of Health Professions and Chair of Applied Health Informatics)

• Dr. Matthew Salzano (Assistant Professor in the Department of Communication in the School of Communication and Journalism)

Abstract:

Conventional approaches to scientific discovery often prioritize building larger sensors, gathering more data, and scaling up computational power. In this talk, I will present a complementary perspective: extracting insights hidden in the data we already have. The key lies in using AI not as a black-box predictor, but as a tool for interpreting data through its underlying physical process.

I will demonstrate how AI, when integrated with the physics of light propagation, can serve as a computational lens to overcome fundamental limitations in fields ranging from biomedicine to astrophysics. Specifically, I will showcase two compelling applications: non-invasive imaging through scattering biological tissues, and detecting faint exoplanets against the overwhelming brightness of their host stars.

These methods represent a departure from traditional learning-based approaches that rely on fitting models to training labels and hoping for generalization. Instead, with physics-informed strategies that decode how light propagates, we can transform raw measurements into scientifically meaningful insights--without requiring costly hardware upgrades or human-annotated datasets. Finally, I will outline future directions for combining AI with physical principles, enabling us to unlock more phenomena once considered hidden and accelerating discoveries in healthcare, astronomy, and beyond.

Short Bio:

Brandon Y. Feng is a Postdoctoral Associate at MIT Computer Science and Artificial Intelligence Laboratory (CSAIL) and a Visiting Scientist at the Harvard-Smithsonian Center for Astrophysics. His research bridges artificial intelligence and physics to expand the limits of human and machine vision. He develops AI-driven methods that reveal hidden patterns in complex visual data, driving breakthroughs in areas such as exoplanet detection and imaging through scattering tissues. His work has been published in top venues, including Science Advances, CVPR, ICCV, ECCV, and NeurIPS, and has been featured in Science.org, New Scientist, and Phys.org. He holds a Ph.D. in Computer Science from the University of Maryland, along with a B.A. in Computer Science and Statistics and an M.S. in Statistics from the University of Virginia.

Ready for Round Two? Dr. Zach Justus Returns! Join us on October 30, 2025, in the SBU Hilton Garden Inn. Buckle up your curiosity for a high-energy morning session with the engaging Dr. Zach Justus as we navigate how GenAI is reshaping not just how we teach, but what we teach. With real talk and questions that hit hard like Are students learning what we think we're teaching? This is your chance to rethink your program's true destination. Whether you're looking to pick up a few takeaways or chart a new direction entirely, this symposium is your space to explore, reflect, and act.

Check-in and breakfast will begin at 8:30 a.m. in order to begin our program promptly at 9:00 a.m.

Registration will remain open until October 15 or until the event reaches capacity. If closed, please contact educationaleffectiveness@stonybrook.edu to request a spot on the waitlist.

Designed for faculty, staff, presidents, provosts, academic leaders, student affairs professionals, IT specialists, librarians, researchers, administrators, institutional decision-makers, and other higher education stakeholders, the conference highlights practical strategies institutions can implement now while exploring longer-term governance, policy, and ethical considerations. Participants will leave with concrete tools, cross-institutional insights, and collaborative connections that support mission-aligned AI innovation.

Hosted by: AAC&U

Location: Atlanta, GA and Virtual

Register here.

You are cordially invited to attend the biweekly Brookhaven AI Mixer (BAM). BAM includes one short talk on AI research happening at BNL, followed by an open mixer over coffee and snacks for everyone to network and discuss all things AI. The first half hour will consist of presentations that will be available via ZOOM, and the second half hour will be for in person only networking.

Join us every other Tuesday at noon in CDSD's Training Room (building 725, 2nd floor) to learn about interesting AI methods and applications, engage with potential collaborators, prepare for pending FASST funding calls, and build a community of AI for Science at BNL.

Machine Learning for Seismic Low Frequency Extrapolation

Abstract: The cycle skipping problem that plagues seismic inversion can be mitigated by utilizing low-frequency seismic data, which captures the kinematics of wave propagation, in conjunction with a reasonable initial velocity model. However, seismic sources and receivers are band-limited and cannot provide signals down to 0 Hz. To improve solution of the seismic inverse problem one can synthesize the missing low-frequency content by solving a regression problem using machine learning (ML). The recorded high-frequency (HF) seismic data is the input and the ML models are trained to predict the missing low-frequency (LF) seismic data. Deep learning models utilizing convolutional neural networks (CNNs) and generative adversarial networks (GANs) demonstrate important capabilities for LF extrapolation. However, such models require powerful hardware and careful training. We explore the feasibility of using less costly ML models such as a random forest, Gaussian process surrogates, and gradient boosting as alternatives to computationally expensive deep learning models.

Biography: Sue Minkoff is Chair of Applied Mathematics at Brookhaven National Laboratory. From 2012-2024 she was a Professor of Mathematical Sciences and an Affiliated Professor in the Departments of Sustainable Earth Systems Sciences and Science and Mathematics Education at the University of Texas at Dallas. From 2000-2012 she served on the faculty in the Department of Mathematics and Statistics at the University of Maryland, Baltimore County. She received her doctorate in Computational and Applied Mathematics from Rice University. From 1995-1997 she was a National Science Foundation-Industrial postdoc joint with the University of Texas at Austin and British Petroleum, and from 1997-2000 she held the von Neumann Fellowship in the Mathematics Department at Sandia National Labs. In 2000 Minkoff was promoted to Senior Member of the Technical Staff in Sandia's Geophysics Department. Minkoff's research interests include scientific computing, inverse problems, uncertainty quantification and digital twins modeling, Earth science, and photonics.

Location: CDS, Bldg. 725, Training Room

Join ZoomGov Meeting: https://bnl.zoomgov.com/j/1606848158?pwd=miUtq7OkYL5SNkjbgVb19teZPNennd.1

Meeting ID: 160 684 8158
Passcode: 068399

Talk Title: Knowledge-enhanced LLMs and Human-AI Collaboration Frameworks for Creativity Support

Abstract:

Large language models (LLMs) constitute a paradigm shift in Natural Language Processing and Artificial Intelligence. To build AI systems that are human-centered, I propose we need knowledge-aware models and human-AI collaboration frameworks to help them solve tasks ultimately aligning these models better with human values. In this talk, I will discuss my research agenda for human-centered AI with a case study on creativity that focuses on how to augment LMs with external knowledge, build effective human-AI collaboration frameworks as well as theoretically grounded robust evaluation protocols for measuring capabilities of NLG systems. I will begin by describing knowledge-enhanced methods for creative text generation such as metaphors. Next, I will describe how content creators can collaborate and benefit from the creative capabilities of text-to-image-based AI models. Finally, I will focus on the design and development of theoretically grounded evaluation protocols to benchmark the creative capabilities of Large Language Models in both producing as well as assessing creative text. I will end this talk by highlighting the current limitations of existing models and future directions toward building better models that will enable efficient and trustworthy human-AI collaboration systems.

Bio:

Tuhin Chakrabarty is a final-year Ph.D. candidate in the Natural Language Processing group within the Computer Science department at Columbia University. His research is supported by the Columbia Center of Artificial Intelligence & Technology (CAIT) & an Amazon Science Ph.D. Fellowship. He was also a Computational Journalism fellow at NYTimes R&D and an intern at the Allen Institute of Artificial Intelligence, Salesforce Research, and Deepmind. His research interests are broadly in Natural Language Processing, Computer Vision, and Human-Computer Interaction with a special focus on Human-Centered Methods for Understanding, Generation, and Evaluation of Creativity. His work has been recognized at top natural language processing and human-computer interaction conferences and journals such as ACL, NAACL, EMNLP, TACL, and CHI. He has been involved in organizing several workshops and tutorials at NLP conferences such Figurative Language Processing workshop at EMNLP 2022, NAACL 2024, and the tutorial on Creative Text Generation at EMNLP 2023. His work on AI and creativity has been mentioned in mainstream news media such as The Hollywood Reporter and more recently The Washington Post.