Zoom Like a Pro! Unlock Whiteboard, Polls, AI Companion, and more to supercharge student participation. This hands-on workshop explores innovative ways to use Zoom's built-in tools to enhance active learning activities in your classes. Learn how to utilize the Whiteboard feature to make collaborative work more engaging, use Polling and Quizzes for instant feedback, AI Companion for summary, and Breakout Sessions for group activities. Register here: https://stonybrook.zoom.us/meeting/register/tJckf--rpj4pGdRV0ItgTW8Lk7gn_RuykByO#/registration
Abstract: Molecular learning has become an emerging field of AI, driving breakthroughs in drug discovery, protein design, and materials design. For high-stakes scientific tasks, however, predictive accuracy alone is not sufficient: models must also be interpretable and trustworthy. Our work aims to study molecular learning under a unified explainability perspective across two major model families: Graph Neural Networks (GNNs) and Large Language Models (LLMs).

GNNs are natural choices for molecular graphs and achieve strong performance on many molecular tasks. To enhance explainability, many GNN explanation methods have been proposed and work well for 2D GNNs. However, 3D GNNs introduce two key challenges: producing chemically meaningful substructures and reducing fidelity loss caused by dense geometric graphs. To address these challenges, I present two methods. 3DGraphX decomposes dense 3D graphs into chemically meaningful 3D motifs, enabling compact explanations that align with chemical intuition. EDMA introduces an energy-based discrete mask approximation approach to reduce the discrepancy between the soft mask optimized during training and the hard mask used for explanation, improving explanation fidelity.

LLMs present different characteristics and challenges compared with GNNs. LLMs can provide a certain level of explanation through step-by-step reasoning, and their natural-language outputs are easy for humans to understand and interpret. However, because LLMs are trained for general-purpose tasks, their performance on scientific tasks often lags behind specialized GNNs. To improve performance, existing methods guide LLMs by providing suggestions through brief feedback, retrieval-augmented generation (RAG), or planner agents. However, these approaches face several limitations, such as vague guidance, introduced bias problems, and high computational cost. To fill the gap, I propose RL-Guider, a lightweight reinforcement-learning agent that converts evaluation feedback into input-specific guidance for molecular optimization. RL-Guider improves over time by accumulating historical experience and transfers efficiently across different LLMs while preserving interpretability.

Together, these efforts aim to provide explanations that are scientifically meaningful and faithful, while also preserving or improving performance on molecular tasks to better meet real scientific needs.

Speaker: Xufeng Liu

Location: New Computer Science-1-Room 115
Join librarian Christine Fena for an interactive workshop that invites you to explore AI tools firsthand, not just as users, but as critical investigators. Through playful experimentation and collaborative discovery, you'll uncover inherent biases, probe algorithmic flaws, and gain a deeper understanding of AI's limitations and societal impacts.

Location: Melville Library, Central Reading Room, Lab B

https://library.stonybrook.edu/library-events/critiquing-ai/
Discover how U.S. Census Bureau Tools can help you find free data for your research projects, community, and more. See how to access the latest American Community Survey and 2020 Census data for various geographies including New York City and Long Island at data.census.gov. Learn about Community Resilience Estimates and how to navigate My Community Explorer; an interactive map-based tool which highlights demographic and socioeconomic data that measure inequality. This session will involve live demonstrations and hands-on exercises for participants. Registrants will receive the Zoom link one day prior to the event.

Please Register for SBU Libraries' AI Club: Exploring Census Data here.
The annual conference on Neural Information Processing Systems is a multi-track interdisciplinary annual meeting that includes invited talks, demonstrations, symposia, and oral and poster presentations of refereed papers. Along with the conference is a professional exposition focusing on machine learning in practice, a series of tutorials, and topical workshops that provide a less formal setting for the exchange of ideas.

For more information and registration, visit the official website.
Abstract: Drawing on group-theoretic and information-theoretic foundations, we propose information lattice learning (ILL) as a general framework to learn rules of a signal (e.g., an image or a probability distribution). In our definition, a rule is a coarsened signal used to help us gain one interpretable insight about the original signal. To make full sense of what might govern the signal's intrinsic structure, we seek multiple disentangled rules arranged in a hierarchy, called a lattice. Compared to representation/rule-learning models optimized for a specific task (e.g., classification), ILL focuses on explainability: it is designed to mimic human experiential learning and discover rules akin to those humans can distill and comprehend. We will detail the mathematical foundations and algorithms of ILL, and illustrate how it addresses the fundamental question what makes X an X by creating rule-based explanations designed to help humans understand. Our focus is on explaining X rather than (re)generating it. We show ILL's efficacy and interpretability on benchmarks and assessments, as well as a demonstration of ILL-enhanced classifiers achieving human-level digit recognition using only one or a few MNIST training examples (1-10 per class). We present applications in knowledge discovery, using ILL to distill music theory from scores and chemical laws from molecules and further revealing connections between them. We close with some early work on understanding the principles that govern scattering amplitudes in Super Yang-Mills theory, rather than just predicting them.

Biography: Lav R. Varshney is the Della Pietra Infinity Professor and inaugural director of the AI Innovation Institute at Stony Brook University. He is co-founder and CEO of Kocree, Inc., a startup company building novel human-controllable AI for discovery and creativity, and chief scientist of Ensaras, Inc., a startup company focused on AI and wastewater treatment. He holds appointments at RAND Corporation and at Brookhaven National Laboratory. He was previously on the faculty of the University of Illinois Urbana-Champaign, a visiting scholar at Northwestern's Kellogg School of Management, a principal research scientist at Salesforce Research AI, and a research staff member at IBM Research. He is a former White House staffer, having served on the National Security Council staff as a White House Fellow, where he contributed to national AI and wireless communications policy. His research interests include information theory and artificial intelligence. He received his B.S. degree from Cornell University and his S.M. and Ph.D. degrees from the Massachusetts Institute of Technology.

Location: Room 102
Speaker Petar Djuric Refreshments will be provided Deep Gaussian processes: Theory and applications Petar M. Djurić Department of Electrical and Computer Engineering Stony Brook University Abstract: Gaussian processes are an infinite-dimensional generalization of multivariate normal distributions. They provide a principled approach to learning with kernel machines and they have found wide applications in many fields. More recently, with the advance of deep learning, the concept of deep Gaussian processes has emerged. Deep Gaussian processes can be viewed as multilayer hierarchical organizations of Gaussian processes that are equivalent to infinitely wide multiple layer neural networks. Deep Gaussian processes have improved capacity for prediction and classification over standard Gaussian processes, while models based on them continue to allow for full Bayesian treatment and for applications when the amount of available data is limited. The theory of recent progress in deep Gaussian processes will be presented and some applications will be provided. Biosketch: Petar M. Djurić received the B.S. and M.S. degrees in electrical engineering from the University of Belgrade, Belgrade, Yugoslavia, respectively, and the Ph.D. degree in electrical engineering from the University of Rhode Island, Kingston, RI, USA. He is a SUNY Distinguished Professor and currently, he is a Chair of the Department of Electrical and Computer Engineering, Stony Brook University, Stony Brook, NY, USA. Djurić was a recipient of the IEEE Signal Processing Magazine Best Paper Award in 2007 and the EURASIP Technical Achievement Award in 2012. From 2008 to 2009, he was a Distinguished Lecturer of the IEEE Signal Processing Society. He was the Editor-in-Chief of the IEEE Transactions on Signal and Information Processing over Networks (2015-2018). Djurić is a Fellow of IEEE and EURASIP
Qualitative data can be challenging to analyze and interpret effectively. In this workshop, SBU Libraries' Data Literacies Lead, Ahmad Pratama will show you how to extract meaningful insights from textual data, including understanding sentiment trends. Learn to explore qualitative data with Python using word clouds, basic natural language processing (NLP) techniques, and lexicon-based sentiment analysis with VADER.
RSVP via link: https://t.e2ma.net/click/t70ivh/5wwlu4oe/hy5q96