Abstract: Spectroscopy and imaging are two primary tools for probing material structures. However, the discovery of trends that guide the design of improved materials is often hindered by intertwined physical interactions or significant experimental noise. In this talk, I will present machine learning approaches that address both challenges. The first part focuses on the interpretation of X-ray absorption spectroscopy (XAS). We developed a controlled projection algorithm, RankAAE, which disentangles coupled structural descriptors in complex datasets and reveals analysis rules for inferring new structural information visually from spectra. The second part targets transmission electron microscopy (TEM) imaging of material structures. We developed a machine learning model capable of denoising extremely noisy images, while demonstrating strong out-of-distribution generalization. I will describe the construction of these models and demonstrate their effectiveness through representative scientific case studies.

Bio: Dr. Xiaohui Qu is a Staff Scientist in the Theory and Computation Group at the Center for Functional Nanomaterials (CFN), Brookhaven National Laboratory. His research focuses on developing interpretable machine learning and data analytics methods for materials science, with an emphasis on extracting structural insights from X-ray absorption spectroscopy and transmission electron microscopy. Dr. Qu earned his B.S. in Environmental Engineering and Ph.D. in Environmental Science from Shandong University, China, followed by postdoctoral research in Physics at Nanyang Technological University, Singapore, in Chemistry at Universidade Nova de Lisboa, Portugal, and in Materials at Lawrence Berkeley National Laboratory.

Location: IACS Seminar Room


Event Details & Calendar Link (includes zoom info): https://calendar.stonybrook.edu/site/iacs/event/iacs-seminar-speaker--xiaohui-qu-brookhaven-national-lab/
The SUNY Office of Research, Innovation & Economic Development (ORIED) is hosting a webinar, Pathways to Innovation: Exclusive STEM Opportunities for Students at Premier Labs, with the Air Force Research Laboratory (AFRL), the Griffiss Institute and Brookhaven National Laboratory (BNL).

Please join us on October 30 from 12:30 - 2:00 pm to learn more about the labs and the wide variety of research, education, and workforce development programs they offer.

Register here: https://rfsuny.zoom.us/webinar/register/WN_fjWNU9l8Sr6WO_M3AoZ-Rw?mc_cid=50c2045945&mc_eid=357e15f9df#/registration

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


Please join us this Friday, February 13th for the CSE 600 seminar given by Associate Professor Debswapna Bhattacharya, from the Department of Computer Science at Virginia Tech.

Abstract: Building a model of a biological system that can provide actionable hypotheses to form a solid foundation for experimental and theoretical analyses is one of the key challenges in biology and medicine. In this talk, I will present my group's ongoing work in developing, evaluating, and disseminating a new generation of computational methods for biomolecular modeling powered by artificial intelligence (AI) and machine learning (ML). First, I will introduce a new generation of AI/ML methods for improved modeling and characterization of protein-nucleic acid assemblies by deep graph learning using embeddings from biological large language models (LLMs) as well as geometric attention-enabled pairing of heterogeneous biological LLMs, a previously unexplored avenue. Then, I will present a novel generative deep learning model based on equivariant flow matching for end-to-end generation of all-atom RNA 3D structural ensemble. Finally, I will outline my future research directions on attaining atomic-level accuracy in computational modeling of biomolecules and their assemblies at scale.

Speaker: Debswapna Bhattacharya is an Associate Professor in the Department of Computer Science at Virginia Tech. He received his Ph.D. in Computer Science from the University of Missouri-Columbia in 2016. Before joining Virginia Tech in 2022, he was an Assistant Professor at Auburn University from 2017 to 2021. His research interests lie at the intersection of computational biology and machine learning, with a particular focus on artificial intelligence for computational structural biology, specifically in modeling and characterization of biomolecular structures and interactions. His research group has been developing novel computational and data-driven methods, software, and information systems for diverse biomolecular modeling problems, ranking among the best methods in community-wide blind assessments and serving the worldwide community of biomedical users. He received various research awards (NSF CAREER Award, NIH Maximizing Investigators' Research Award, NSF National AI Research Resource Award) and numerous institutional honors (National Distinction and Outstanding Contributor at Virginia Tech, Ginn Faculty Fellowship at Auburn University, Outstanding Engineering Faculty Award at Auburn University).
Location: NCS 120
Abstract : Humans reason about everyday situations by making commonsense-based inferences, derived both from explicitly stated information and implicit, unstated knowledge. In this thesis, I investigate whether NLP models have different aspects of causal knowledge about events and how to improve their understanding of narratives and plans.
Answering questions about why people perform actions in a narrative can test whether NLP systems contain and can effectively apply causal knowledge about events. I introduce TellMeWhy, a dataset concerning why characters in short narratives perform the actions described. An evaluation of then SOTA finetuned models show that they are far worse than humans. To improve models, it is important to understand what aspects of causal knowledge they need and how to best use external sources to inject this knowledge. In KnowWhy, I analyze different ways of injecting knowledge into models, which is difficult since we do not know apriori what type of knowledge will be needed to answer a question, hence requiring a ranking model to pick the most important inference. Results show that this retrieved knowledge helps models of all sizes, thereby improving their understanding of narratives.
Next, I study whether models can reason about causal aspects of plans. I focus on testing whether they understand the underlying causal dependencies reflected in the temporal order of a plan's steps. I introduce CAT-Bench, and find that SOTA models are underwhelming, and that model answers are not consistent across questions about the same step pairs. In their current state, these models cannot yet reliably be used for complex user-facing tasks. I then measure contemporary models' ability to perform user-facing and user-centric plan customization. I introduce the use of semi-symbolic edits in large language model (LLM) based agents and test several multi-LLM-agent architectures for plan customization. While LLMs still lack the ability to understand complex customization hints, my results suggest that LLM-based architectures may be worth exploring further for other customization applications. Finally, I distill complex reasoning capabilities into small language models (SLMs) using synthetic data that reflects a decomposition-then-editing process for plan customization. I demonstrate that explicitly teaching this latent causal reasoning significantly improves the quality of SLM-generated customizations. Overall, my work has improved how well NLP models understand complex reasoning associated with events in different contexts.

Speaker: Yash Kumar Lal

Location: NCS 220 or Zoom https://stonybrook.zoom.us/j/95849648243?pwd=dgPpZtDpgwQrK9z1SaPpNbBifaorzk.1
The Institute for AI-Driven Discovery and Innovation hosts Dr. Mary
Simoni for a talk on her music and its intersection with AI, as part
of the Music and AI Seminars series.

The event will be held on Thursday, December 10, 2020, at 3:00 PM.

Abstract: Mary Simoni, Dean of Humanities, Arts & Social Sciences at
Rensselaer Polytechnic Institute will discuss her research in the use
of computer algorithms and technology in the composition and
performance of music. The talk will feature compositions inspired by
Augmented Transition Networks (ATNs), employ motion tracking to
control synthesis parameters, and a work in progress that employs
machine learning using training data that juxtaposes classical music
with COVID-19. During this talk, participants will be introduced to
several technologies that support music information retrieval, machine
learning, and algorithmic composition such as jSymbolic, Weka, and
Common Music.

Zoom details below:
https://stonybrook.zoom.us/j/98236706900?pwd=bDFEZFZtaHBWU0cyL0wxK3UrdUpIdz09
Meeting ID: 982 3670 6900
Passcode: 133945  
CSE 600 Seminar Series | Fall 2025



Abstract:

We often talk about AI as if it begins with a dataset and ends with an application. But behind every model lie two sets of actors who are rarely acknowledged in technical documentation: the workers who train AI systems and the researchers who try to make sense of them. This talk brings both groups into view.
Dr. Ben Zhang will offer an on-the-ground examination of the prevailing values and invisible labor that underpin commercial AI production and data production. Drawing on ethnographic research inside AI data annotation centers in China, he introduces the concept of precision labor to unpack the labor dimension of constructing, managing, and performing technical accuracy. This concept highlights the hidden and excessive labor required to reconcile the ambiguity and uncertainty involved in AI training. A precision labor lens challenges the legitimacy and sustainability of the relentless pursuit of technical accuracy, raising new questions about its consequences and implications.
On the other end of the pipeline, as LLMs become embedded in society, social scientists like Dr. Jieshu Wang is scrutinizing their potential biases while employing them as research tools. She will present her recent work auditing LLM responses across different contexts, revealing that LLMs exhibit varying levels of environmental awareness and disproportionately reward institutional prestige in peer-review simulations. She also demonstrates how LLMs can serve as useful tools in social-science pipelines, e.g., extracting location information, inferring demographics, parsing citations, mapping social networks, and analyzing occupational data.
By placing these two worlds side by side - the labor of training AI and the scholarly efforts to study it - we show why responsible AI should go beyond the deployment phase - emphasizing fairness audits, and model explainability. It requires reimaging the values, labor regimes, and social science practices that shape AI systems from annotation to analysis.


Bios:

Dr. Jieshu Wang is an interdisciplinary researcher studying the human and social dimensions of artificial intelligence (AI) and how people can thrive in an AI-integrated future. She combines computational methods with qualitative insights to trace technology trends and understand their broader societal impact. She earned her Ph.D. in Human and Social Dimensions of Science and Technology from Arizona State University, after earlier degrees in Civil Engineering, Economics, and Science and Technology Studies. She has also worked as a patent examiner, an editor at a popular science magazine, and co-founded Synced (机器之心), an AI-focused media company in China. Her research looks both backward and forward. Backward-looking, she examines how AI are created, who creates them, and who is missing from the process. Forward-looking, she studies how AI is transforming the way we live, connect, invent, work, and adapt, as well as how AI might help address challenges such as climate change and workforce transitions.
Dr. Ben Zhang is an Assistant Professor in the Department of Technology. His research explores the production and sociotechnical impacts of AI systems in critical areas such as work, health, and sustainability. Drawing from his background in Human-Computer Interaction (HCI), Human-Centered AI, and Science and Technology Studies (STS), he employs a life-cycle-centered approach to holistically examine the promises and harms of these systems and to inform the design of responsible AI infrastructures across their development, deployment, and governance. Ben received his Ph.D. in Information Science from the University of Michigan. Ben's work has been supported by competitive awards and fellowships, including the University of Michigan Rackham Predoctoral Fellowship and the Weizenbaum Fellowship. His research has appeared in premier computing venues, including ACM CHI, ACM CSCW, and AAAI ICWSM.

Location: NCS 120

Join the Department of Biomedical Informatics for an exclusive fall semester programming bootcamp. Discover essential programming, data analytics, and machine learning skills crucial for biomedical informatics. Special topics such as Bioinformatics and NLP will be briefly covered.

Gain hands-on programming experience and discover diverse career opportunities in biomedical informatics.

Don't miss this chance to excel in healthcare data analytics and shape the future of the industry.

https://bmi.stonybrookmedicine.edu/Bootcamp/Bootcamp-Fall-2025

Location: NCS 120