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. 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.

We meet every other Tuesday at noon in CDSD's Training Room (building 725, room 2-124) 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.

Abstract: Identifying model Hamiltonians is a vital step toward creating predictive models of materials. W​e combined Bayesian optimization with the EDRIXS numerical package to infer Hamiltonian parameters from resonant inelastic X-ray scattering (RIXS) spectra within the single atom approximation. To evaluate the efficacy of our method, we tested it on experimental RIXS spectra for several materials and demonstrated that it can reproduce results obtained from hand-fitted parameters to a precision similar to expert human analysis while providing a more systematic mapping of parameter space. Our work provides a key first step toward solving the inverse scattering problem to extract effective multi- orbital models from information-dense RIXS measurements, which can be applied to a host of quantum materials.

Biography: Marton Lajer is a postdoctoral researcher at the Condensed Matter Physics and Materials Science Department, Brookhaven National Laboratory. Marton​ obtained his PhD in theoretical physics at the Eotvos Lorand University, Hungary, in 2021. He was a​ junior research fellow at the Wigner Research Centre for Physics in Budapest before joining BNL in September 2022. His background spans various analytical and performance-critical numerical methods, mostly in the context of low- dimensional quantum field theories and quantum many-body systems. His research currently focuses on incorporating AI-enhanced methods to various problems in inelastic spectroscopy.

In addition to our speaker, we will have a number of CDS staff in attendance with expertise in AI methods and applications including image analysis, foundation models development, and inverse problem solving.

Location: CDS, Bldg. 725, Training Room

Join ZoomGov Meeting: https://bnl.zoomgov.com/j/1604383624?pwd=ffQ5cUPNxTI7nzClKQO6cnsNbhF9Vf.1

Meeting ID: 160 438 3624
Passcode: 558449

Please Note: Due to a funding shortfall, we are for the time being no longer able to provide pizza and sodas for these events. We will have coffee though, and all are of course welcome to bring their lunch.











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
Title: Building foundation models for scientific data Seminar

Speaker: Ruben Ohana, Ph.D. and Michael McCabe, Ph.D - Flatiron Institute, New York

Abstract: Foundation models are very large architectures trained on large-scale datasets and can be used to transfer knowledge from a domain to another. Scientific data, particularly numerical simulations of partial differential equations (PDEs), presents unique challenges due to its complexity and the need for domain expertise to assess prediction quality, complicating the building of the first foundation models in this field. In this talk, we will develop our approach of building foundation models for scientific data, highlighting the requirements and expectations for achieving meaningful results. We will also introduce The Well, a comprehensive collection of datasets encompassing multi-scale simulations of fluid dynamics, astrophysics, and biological systems. The Well serves as a foundation for developing models that generalize across diverse physical phenomena, aiming to accelerate scientific discovery through large-scale learning.

Join Zoom Meeting: https://bnl.zoomgov.com/j/1606898802?pwd=GbbPiLGHlEokDskxjeFheMFWfuboxO.1
Meeting ID: 160 689 8802
Passcode: 281575
CSE 600 Seminar Series | Fall 2025


Abstract: The first part of the presentation focuses on the fundamental role that failures play in the Ph.D. journey, highlighting how they offer invaluable learning experiences to build resilience, critical thinking, and adaptability. Instead of viewing failures as signs of inadequacy, they should be recognized as opportunities to learn, re-evaluate, and develop the persistence needed for success in a high-stakes research environment. In the second part of the presentation, we take a quick look at the evolution of distributed databases research at Stony Brook and then focus on different challenges associated with distributed transaction processing systems functioning in untrustworthy environments. Byzantine Fault-Tolerant (BFT) protocols have recently been extensively used by distributed transaction processing systems to establish consensus on the order of transactions. However, the proliferation of different BFT protocols has made it difficult to navigate the BFT landscape, let alone determine the protocol that best meets application needs. Moreover, as novel applications, modern hardware, and new cloud platforms arise, distributed transaction processing systems need to be designed with full-stack adaptivity in mind. This presentation discusses our vision for a reinforcement learning (RL)-based distributed transaction processing system that adjusts effectively in real time to dynamic fault scenarios and evolving workloads.

Bio: Mohammad Javad Amiri is an Assistant Professor in the Department of Computer Science at Stony Brook University. Before joining Stony Brook, he was a postdoctoral researcher in the Computer and Information Science Department at the University of Pennsylvania. He received his Ph.D. in Computer Science from the University of California, Santa Barbara. His research mainly lies at the intersection of data management and distributed systems, focusing on distributed transaction processing, consensus protocols, and blockchains.

Abstract:
Deep learning models have achieved remarkable success across a wide range of computer vision tasks, including image classification, semantic segmentation, etc. However, such success highly relies on a large amount of annotated data, which are expensive to obtain. Moreover, their performance often degrades when there exist distribution shifts between training and test data. Domain Adaptation overcomes these issues by transferring knowledge from a label-rich source domain to a related but different target domain. Despite its popularity, domain adaptation is still a challenging task, especially when the data distribution shifts are severe, while the target domain has no or few labeled data.

In this thesis, I develop four efficient domain adaptation approaches to improve model performance on the target domain. Firstly, inspired by the large-scale pretraining of Vision Transformers, I explore Transformer-based domain adaptation for stronger feature representation and design a safe training mechanism to avoid model collapse in the situation of a large domain gap. Secondly, I observe that source models have low confidences on the target data. To address this, I focus on the penultimate activations of target data and propose an adversarial training strategy to enhance model prediction confidences. Thirdly, I study using weak supervision from prior knowledge about target domain label distribution. A novel Knowledge-guided Unsupervised Domain Adaptation paradigm is devised, and a plug-in module is designed to rectify pseudo labels. Lastly, I step into the task of Active Domain Adaptation, where the labels of a small portion of target data can be inquired. I propose a novel active selection criterion based on the local context and devise a progressive augmentation module to better utilize queried target data. The robustness of domain adaptation approaches, in addition to accuracy, is critical yet under-explored. To conclude the thesis, I empirically study set prediction in domain adaptation using the tool of conformal prediction and conformal training.


Location: New Computer Science Bldg., Room 120
Zoom Link: https://stonybrook.zoom.us/j/92736258273?pwd=ipDdh1CTG6dRYmqa3ltUvooei8OfaT.1Meeting ID: 927 3625 8273
Passcode: 466399
AI can help you write, you hear. AI can save you time, leverage your skills, enhance your productivity. . . . But you also hear: AI output is not reliable, not adequate for advanced tasks/learning, not ethical to use -- you could get in deep trouble for using AI tools without adequate mastery and caution. Which way is it?
Come join this hands-on workshop where you will explore AI tools and their affordances. Engage in writing tasks to learn how to use AI tools effectively and responsibly.
Sign up for a seat now: https://docs.google.com/forms/d/e/1FAIpQLSd0iDTKkTYnkxFd4LkgqbtP97zQSS4FI_MiPVm7p6IY5SGwSg/viewform

The International Neuroethics Society (INS) Speaker Series on AI & Consciousness

AI has existed as a tool for a long time, performing simple tasks such as sorting documents, suggesting music, and so on. But with the development of new generations of AI, the perception of its value to society has been increasing, as it can bring potential and promising benefits in many areas of human life. AI is known to have errors or biases that result in strange or even dangerous responses, but what happens when in AI-human interaction, the latter have errors or biases? cultural errors or biases? And what could be the implications for human relationships?

Speaker Bio

Dr. Karen Herrera-Ferrá is an independent and global consultant on ethical, medical, psychological, legal, social, cultural, policy-making, human rights and political issues and concerns on the development and use of neuroscience, neurotechnology and AI. She is a former member of the Board of Directors of the International Neuroethics Society.

Register here

https://umaryland.zoom.us/meeting/register/tJMvfuqsqDspG9BKMLfUU49UbuUyP_IEvXRh

AI3 Seminar

Meir Feder

Professor, School of Electrical Engineering
Jokel Chair in Information Theory, School of Electrical and Computer Engineering
Tel-Aviv University

Information-Theoretic Framework for Understanding Modern Machine-Learning

Abstract:

Information Theory views learning as universal prediction under log loss, characterized through regret bounds. Unlike the classical results that considered ``small'' model classes and provided uniform regret, the proposed framework provides non-uniform, model dependent bounds utilizing an effective notion of architecture-based model complexity. This complexity is defined by the probability mass or volume of the set of all models in the vicinity of the target model \theta_0, in an informational distance. This volume might be hard to evaluate, yet by local analysis it is related to spectral properties of the expected Hessian or the Fisher Information Matrix at \theta_0, leading to tractable approximations. We argue that successful architectures possess a broad complexity range, enabling learning in highly over-parameterized model classes. The framework sheds light on the role of inductive biases, the effectiveness of stochastic gradient descent (SGD) algorithm, and phenomena such as flat minima. It unifies online, batch, supervised, and generative settings, and applies across the stochastic-realizable and agnostic regimes. Moreover, it provides insights into the success of modern machine-learning architectures, such as deep neural networks and transformers, suggesting that their broad complexity range naturally arises from their layered structure. These insights open the door to the design of alternative architectures with potentially comparable or even superior performance.

Biography:

Meir Feder received the Sc.D. degree in Electrical Engineering and Ocean Engineering in 1987 from the Massachusetts Institute of Technology (MIT) and the Woods Hole Oceanographic Institution (WHOI). After being a Research Associate and a Lecturer at MIT, he joined the School of Electrical Engineering, Tel-Aviv University in 1990, where he is the Jokel Chaired Professor and the former founding head of Tel-Aviv university center for Artificial intelligence and Data science (TAD). Parallel to his academic career, he is closely involved with the high-tech industry: he founded 5 companies, among them Peach Networks (Acq: MSFT) and Amimon (Acq:LON.VTC). Recently, with his renewed interest in machine learning and AI, he co-founded Run:ai (Acq:NVDA), a virtualization, orchestration, and acceleration platform for AI infrastructure, acquired by Nvidia to support its GPU cloud operation.

Prof. Feder received several academic and professional awards including the IEEE Information Theory Society best paper award, the Padovani lectureship, the creative thinking award of the Israeli Defense Forces, and the Research Prize of the Israeli Electronic Industry, awarded by the President of Israel. For the technology he developed in Amimon, he received the 2020 Scientific and Engineering Award of the Academy of Motion Picture Arts and Sciences (OSCAR) and was announced the principal inventor of the technology that attained the 73rd Engineering Emmy Award of the Television Academy.

Location: NCS120