We live in a new scientific paradigm: the Big Data era, in which a lot of data is available for almost anything. In this new paradigm, the driving force is to use data directly to learn about chemical and physics systems employing artificial intelligence. This paradigm has proven helpful in simulating realistic physical, biological, and chemical models, yielding impressive results. Similarly, the insight gained in these situations can be used to improve our understanding of fundamental processes. In that regard, we want to answer the question: Can a machine learn chemistry? The answer to this question is still debatable, but we will show our ideas and methods to find the answer. We will also discuss our results on predicting atom-diatom reactions and other avenues and work in progress in our group.

Please register for the STEM Speaker Series: Can a Machine learn Chemistry here.

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.

Abstract:
Coarse grained (CG) models alleviate the drawbacks of all-atom simulations. The latter still pose challenges because they are computationally expensive and give access to limited spatiotemporal scales, despite the use of modern high-performance computing clusters. CG models ignore some of the atomistic degrees of freedom, leading to fewer interatomic interactions, hence less computing time. Introducing such models emphasizes the need to properly manage these multiple scales, by carefully deriving potentials and reconstructing conformations from their CG representations, usually with the help of Machine Learning. Following a bottom-up and force matching approach, we train a Physics-Informed Neural Network to extract the CG force field parameters from all-atom simulation data. We verify our approach by applying it to fibrin monomers to study multiple-fibrin polymerization in solution at the microsecond scale, after modifying the force field to incorporate further non-bonded interactions, not present in the training data. Access to these scales will allow us to study the effects of some of the molecules' components. Furthermore, we modify recent solutions in data-driven protein backmapping. Taking advantage of the developments in graph neural networks and variational inference, we introduce an intermediate step in the all-atom reconstruction of a molecule given its CG configuration, in an attempt to more accurately de-coarsen structures whose atom-to-CG-beads ratio is very high. The combined effect of our new forward and inverse coarse graining methodology will enable the in silico study of many phenomena that are highly dynamic and intrinsically multiscale.

Bio:
Georgios Kementzidis is a third year PhD student in the Department of Applied Mathematics and Statistics at Stony Brook University. His advisor is Dr. Yuefan Deng. His research interests lie at the intersection of Computational Science, molecular dynamics (MD) simulations, and Machine Learning (ML) applications to Computational Biophysics. He is particularly interested in coarse-graining and multi-scale simulations.

*Note: this seminar will be held in-person (food provided on a first-come, first serve basis) and online*

Join Zoom Meeting https://stonybrook.zoom.us/j/99510099036?pwd=EyowuLBGvUVLZDBlG6F6chkMICFOZ7.1
Meeting ID: 995 1009 9036
Passcode: 132419

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

The Provost's Spotlight Talks feature eminent visitors to the university as well as Stony Brook faculty members who have recently been recognized for outstanding contributions in their field.

Transmedia artist Stephanie Dinkins, Kusama endowed chair in art in the College of Arts and Sciences at Stony Brook University, brings her expertise in AI to the next Spotlight Talk with The Stories We Encode: AI, Love and the Future of Algorithmic Care on Tuesday, October 22, at 3:30 pm in the Charles B. Wang Center Theatre.

Working at the intersection of emerging technologies and social collaboration, Dinkins was named a 2023 TIME 100 Most Influential People in AI. She was recognized for her work with Not the Only One, an ongoing project in which she trained an AI on three generations of Black women to give it cultural roots, a deep history, and a perspective that existing systems do not offer.

The event is free and open to the public, and the discussion will be followed by a reception in the Wang Theatre lobby, hosted by the College of Arts and Sciences for new and promoted faculty.

About the Talk

AI's impact on society necessitates addressing longstanding human rights issues and prejudices. To ensure AI benefits humanity, we must confront institutional biases, rethink our relationship with other beings and emerging technologies, and reconcile ideals with actual power structures. This involves recognizing systemic inequalities, redefining human identity, and equitably distributing resources. AI, if developed and used ethically, offers an opportunity to reimagine a more equitable world for all inhabitants.

Please join us for the next CSE 600 Seminar this Friday, October 11th, at 2:30pm in New Computer Science 120 given by Assistant Professor Mohammad Javad Amiri.

Abstract:

Today's distributed transaction processing systems must deal with untrustworthy environments where multiple mutually distrustful entities communicate with each other, and maintain data on untrusted infrastructure. 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 smart contracts, modern hardware, and new cloud platforms arise, future-proof distributed transaction processing systems need to be designed with full-stack adaptivity in mind. This talk presents our vision for a reinforcement learning (RL)-based distributed transaction processing system that adjusts effectively in real-time to changing fault scenarios and workloads.

Join us for the New York State Innovation Summit on October 28-29, 2024 in Syracuse, NY.
This multi-day is event for NYS organizations that want to showcase and discover new and emerging technologies that support innovation and drive business growth.
The event serves as an opportunity to foster collaboration; introduce industry to experts that can assist growth, strengthen our statewide innovation ecosystem and showcase promising early stage companies.
Whether you're a startup, an economic developer, or an established manufacturer, the NYS Innovation Summit is for you.
The 2024 New York State Innovation Summit will showcase companies and researchers at the forefront of emerging technologies and new advancements in production capabilities.
This event celebrates New York State leadership in technology-led economic growth with experts in biotechnology, new materials, energy innovation, and artificial intelligence that will explore current technology convergence opportunities, ways to accelerate commercialization, and issues of manufacturing sustainability.

Are you concerned about AI issues with your asynchronous online courses? Is your fully online course vulnerable to AI plagiarism? Do you want to engage your online students using AI? Discover the future of education with our AI-powered solutions designed specifically for online asynchronous courses. This innovative approach uses artificial intelligence to transform the way courses are delivered, making learning more personalized, engaging, and effective.

https://stonybrook.zoom.us/meeting/register/tJMvd-irqTotGtQONZqerPf_TnhXcx8t2sA1

Join the Office of Educational Effectiveness' upcoming workshop on the transformative potential of AI tools to enhance program assessment. Learn how to leverage AI to create targeted learning objectives, detailed rubrics, and precise benchmarks that will elevate the quality and effectiveness of your program assessment process. Join in-person on Oct. 17 at 10:30 am or virtually on Oct. 21 at 12 pm.

Register in advance: https://calendar.stonybrook.edu/site/office-educational-effectiveness/event/leveraging-ai-in-assessment-zoom/

Registration link: https://cme.stonybrookmedicine.edu/continuing-medical-education/conferences/235/bench-to-bedside-understanding-the-practical-application-of-ai-in-medicine-2024/10/17/2024

FOR QUESTIONS
joseph.cesaria@stonybrookmedicine.edu
mary.saltz@stonybookmedicine.edu