Abstract:
Artificial intelligence (AI)-based methods and computational materials science continue to make inroads into accelerated materials design and development. I will review Al-enabled advances made in the subfield of polymer informatics, with a particular focus on the design of application-specific practical polymeric materials. I will describe exemplar design attempts within a few critical and emerging application spaces, including materials designs for storing, producing, and conserving energy, and those that can prepare us for a sustainable economy powered by recyclable and/or biodegradable polymers. Al- powered workflows help efficiently search the staggeringly large chemical and configurational space of materials, using modern machine-learning (ML) algorithms to solve forward and inverse materials design problems. A practical informatics-based design protocol involves creating a set of application-specific target property criteria, building ML model predictors for those relevant target properties, enumerating or generating a tangible population of viable polymers, and selecting candidates that meet design recommendations. The protocol will be demonstrated for several energy and sustainability-related applications. Finally, I will offer an outlook on the lingering obstacles that must be overcome to achieve widespread adoption of informatics-driven protocols in industrial-scale materials development.

Speaker Bio:
Prof. Ramprasad is the Regents' Entrepreneur, Michael E. Tennenbaum Family Chair and Georgia Research Alliance Eminent Scholar in the School of Materials Science & Engineering at the Georgia Institute of Technology. He is also the CEO and co-founder of Matmerize, Inc. His area of expertise is the development and application of computational and machine learning tools to accelerate sustainable materials development aimed at energy production, storage and utilization. Prof. Ramprasad received his B. Tech. in Metallurgical Engineering at the Indian Institute of Technology, Madras, India, an M.S. degree in Materials Science & Engineering at the Washington State University, and a Ph.D. degree also in Materials Science & Engineering at the University of Illinois, Urbana-Champaign.
Prof. Ramprasad is a Fellow of the Materials Research Society, a Fellow of the American Physical Society, an elected member of the Connecticut Academy of Science and Engineering, and the recipient of the Alexander von Humboldt Fellowship and the Max Planck Society Fellowship for Distinguished Scientists. He has authored or co-authored over 300 peer-reviewed journal articles, 8 book chapters and 8 patents, and has delivered over 300 invited talks at Universities and Conferences worldwide. He is a member of the Editorial Advisory Boards of npj Computational Materials, ACS Materials Letters and Journal of Physical Chemistry A/B/C. He created and chaired the inaugural 2022 Gordon Research Conference on Computational Materials Science and Engineering.

Location: Room 301, Engineering Building
The Future Histories Studio welcomes Moontae Lee, LG AI Research.


Generative AI is transforming how we understand, create, and interact with information. Large Language Models (LLMS) comprehend contexts, answer non-trivial questions, and spark creative ideas. This talk introduces the evolution of these models, highlighting the most recent advancements in planning, reasoning, and evaluation. The talk also touches on the criticalconsiderations for both model developers and users, carefully addressing limitations of LLMs as well as ethical and societal implications. Finally, the talk provides ongoing directions in researchand production: from the rise of personalized AI agents to the future frontiers of AI.

Moontae Lee is the Director of the Superintelligence Lab at LG AI Research and an Assistant Professor of Information and Decision Sciences at the University of Illinois Chicago. His journey with Large Language Models began as a visiting scholar at Microsoft Research in 2019, continuously consulting the Deep Learning Group at Redmond until joining LG. He holds a PhD in Computer Science from Cornell, an MS from Stanford, and BS degrees in Computer Science, Mathematics, and Psychology from Sogang University. He has been an area chair for major AI conferences and earned recognition in Operations Research and Computational Social Science, including awards from INFORMS and Amazon.

His research interests include:
● Computational Creativity, Algorithmic Awareness
● Retrieval-Augmented Generation and Evaluation
● Code Generation, Reasoning, Planning
● Fine-grained Alignment from Human/AI Feedback in Generative AI
● Large Time-series Models, Diffusion/Consistency
● Machine Unlearning
● Ranking Monopoly, Voting Fairness
● AI Safety, Ethics, and Market Impacts

Join us in person @ Future Histories Studio Staller Center for the Arts, 4222
Abstract: Foundation models brought a paradigm shift on representation learning and the deep learning community. In my talk, I will examine the role of foundation models in medical imaging, focusing on their potential to unify diverse tasks through large-scale, generalist architectures. While these models achieve strong performance, their deployment in healthcare raises challenges related to data limitations, privacy, validation, and trust. We will also discuss domain-specific models for imaging, along with efficient adaptation techniques to adapt such models on domains that they have not been trained on. The presentation will also address key issues of reliability and interpretability, highlighting approaches like conformal prediction and counterfactual intervention to improve uncertainty estimation and model transparency. Overall, the talk will emphasize that despite their promise, foundation models require robust evaluation and trustworthy design to ensure safe and effective use in clinical settings.

Speaker: Maria Vakalopoulou is an assistant professor (MCF) in applied mathematics at CentraleSupelec, University Paris Saclay in France and the group leader of the biomathematics group of MICS Laboratory focusing on mathematical modeling in Life Sciences. She is affliated with Inria Saclay in France and Archimedes Unit in Greece. Her main research interest include the development of computational methods for image perception focusing on earth observation and medical applications. Before that, she was a postdoctoral student at CentraleSupelec, where she worked with Nikos Paragios. She completed her PhD at the Remote Sensing Laboratory at the School of Rural, Surveying and Geo-Informatics Engineering of the National Technical University of Athens under the supervision of Konstantinos Karantzalos.

Location: NCS 220
Virtual Talk: Contextual Modeling for Natural Language Understanding, Generation and Grounding by Rui Zhang

Zoom link to come.

Abstract: Natural language is a fundamental form of information and communication. In both human-human and human-computer communication, people reason about the context of text and world state to understand language and produce language response. In this talk, I present 
several deep-neural-network-based systems that first understand the meaning of language grounded in various contexts where the language is used, and then generate effective language responses in different forms for information access and human-computer communication. First, 
I will introduce Speaker Interaction RNNs for addressee and response selection in multi-party conversations based on explicit representations for different discourse participants. Then, I will 
present a text summarization approach for generating email subject lines by optimizing quality scores in a reinforcement learning framework. Finally, I will show an editing-based multi-turn SQL query generation system towards intelligent natural language interfaces to databases. 

Bio: Rui Zhang is a final-year PhD student at Yale University advised by Professor Dragomir Radev. His research interest lies in various natural language processing problems in understanding, generation, and grounding. He has been working on (1) End-to-End Neural Modeling for Entities, Sentences, Documents and Multi-party Multi-turn Dialogues, (2) Text Summarization for Emails, News and Scientific Articles, (3) Cross-lingual Information Retrieval for Low-Resource Languages, (4) Context-Dependent Text-to-SQL Semantic Parsing in Human-Computer Interaction. Rui Zhang has published papers and served as Program Committee members at top-tier NLP and AI conferences including ACL, NAACL, EMNLP, AAAI and CoNLL. During his PhD, he has done research internships at IBM Thomas J. Watson Research Center, Grammarly Research and Google AI. He was a graduate student at the University of Michigan and got his Bachelor's degrees at both the University of Michigan and Shanghai Jiao Tong University from the UM-SJTU Joint Institute.
The overall purpose of this seminar is to bring together people with interests in Computer Vision theory and techniques and to examine current research issues. This course will be appropriate for people who already took a Computer Vision graduate course or already had research experience in Computer Vision. To enroll in this course, you must either: (1) be in the PhD program or (2) receive permission from the instructors.

Each seminar will consist of multiple short talks (around 10 minutes) by multiple people. Students can register for 1 credit for CSE 656. Registered students must attend and present a minimum of 2 or 3 talks. Everyone else is welcome to attend. Fill in https://forms.gle/pCVXovgfMfQwGqG38 to subscribe to our mailing list for further announcement.
Abstract: Recent studies have highlighted the vulnerability of Natural Language Processing (NLP) and Vision-Language Models (VLMs) to backdoor attacks, posing significant security risks. Understanding these attack strategies is crucial for assessing model robustness and developing effective defenses. This thesis proposal aims to investigate the vulnerability of language and vision-language models, analyze abnormal behaviors in backdoor-attacked models, and develop defense methods to enhance safety of modern machine learning models at deployment.


We investigate the internal mechanisms of backdoored NLP models, identifying a distinct attention focus drifting phenomenon, where trigger tokens hijack attention regardless of the input context. Through comprehensive qualitative and quantitative analysis, we provide insights into the underlying mechanisms that enable backdoor attacks. Building on these insights, we propose detection methods to differentiate backdoored models from clean ones, through inspecting both the attention distribution and the model predictions. To better understand the vulnerability, we develop advanced backdoor attack strategies targeting language models in classification tasks. For BERT variants, we introduce Trojan Attention Loss (TAL), a novel method that directly manipulates attention patterns to enhance backdoor effectiveness, ensuring stealth and robustness. Vision-Language Models have demonstrated strong performance in recent years. Yet their vulnerability is largely underexplored. We investigate advanced backdoor attack strategies on Vision-Language Models, focusing on image-to-text generation tasks. We demonstrate how backdoors can be embedded in complex multimodal tasks while maintaining semantic integrity under poisoned inputs. Additionally, we propose innovative techniques for injecting backdoors without requiring access to the original training data, expanding the feasibility of real-world attacks.

This proposal provides novel insights into the internal mechanisms of backdoored models, propose effective detection strategies, and develop advanced attack techniques that expose critical vulnerabilities. These findings underscore the urgent need for robust security measures to defend against emerging backdoor threats in deep learning models. The results have been published in top venues including ICLR, ECCV, NAACL, EMNLP, etc.

Speaker: Weimin Lyu


Zoom link: https://stonybrook.zoom.us/j/99880605139?pwd=cfWbRG6n9v3GXEa7OqvXa5cOp5eLBv.1
Meeting ID: 998 8060 5139
Passcode: 843302
Communication-Efficient Heterogeneity-Aware Machine Learning System and Architecture by Xuehai Qian

ABSTRACT: The key success of deep learning is the increasing size of models that can achieve high accuracy. At the same time, it is difficult to train the complex models with large data sets. Therefore, it is crucial to accelerate training with distributed systems and architectures, where communication and heterogeneity are two key challenges. In this talk, I will present two heterogeneity-aware decentralized training protocols without communication bottleneck. Specifically, Hop supports arbitrary iteration gap between workers by novel queue-based synchronization which can tolerate heterogeneity with system techniques. Prague uses randomized communication to tolerate heterogeneity with a new training algorithm based on partial reduce -- an efficient communication primitive. If time permits, I will present the systematic tensor partitioning for training on heterogeneous accelerator arrays (e.g., GPU/TPU). We believe that our principled approaches are crucial for achieving high-performance and efficient distributed training.

BIO: Xuehai Qian is an assistant professor at University of Southern California. His research interests include domain-specific systems and architectures, performance tuning and resource management of cloud systems and parallel computer architectures. He received his PhD from the University of Illinois Urbana Champaign and was a postdoc at UC Berkeley. He is the recipient of W.J Poppelbaum Memorial Award at UIUC, NSF CRII and CAREER Award, and the inaugural ACSIC (American Chinese Scholar In Computing) Rising Star Award.

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

ICB&DD 19th Annual Symposium

Iwao Ojima, Director, ICB&DD
Ivet Bahar Chair, Organizing Committee
Dima KozakovCo-Chair, OrganizingCommittee

There will be poster sessions on projects conducted in the ICB&DD member's laboratories aswell as other laboratories in the area. Awards will be given to the best three posters.

Please see the link for the registration and poster sessions in:
https://www.stonybrook.edu/commcms/icbdd/https://forms.gle/Wh4UzVx9U4HWStXb8