You are cordially invited to attend the biweekly Brookhaven AI Mixer (BAM). BAM includes three short talks 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.

Tuesday, November 26, 2024, 12:00 pm -- CDS, Bldg. 725, Training Room

Speakers

Hanfei Yan, NSLS-II

David Park, CDS, AI Dept

Xihaier Luo, CDS, AI Dept

Join Zoom Meeting

https://bnl.zoomgov.com/j/1601052863?pwd=eIX9qZKPGNtQ11uwbK8JP5hIdIxA3V.1

Meeting ID: 160 105 2863

Passcode: 442980




Abstract:
Large language models (LLMs) have transformed the way humans write code, bringing unprecedented automation to software development. In this talk, I will first provide an overview of my research on enhancing LLMs' code intelligence, optimizing each step of the development pipeline towards more complex software engineering tasks. I will then delve into my key contributions, focusing on how to equip LLMs with a deeper, more comprehensive understanding of software programs. Finally, I will discuss the future of AI-driven software engineering, envisioning a new era of automation that is more reliable, intelligent, and cost-efficient.

Bio:
Yangruibo (Robin) Ding is a Ph.D. candidate in the Department of Computer Science at Columbia University. His research is at the intersection of Software Engineering and Machine Learning, focusing on developing large language models (LLMs) for code. He trains LLMs to generate, analyze, and refine software programs and constructs benchmarks to systematically evaluate LLMs in solving software engineering tasks. He also studies how to improve LLMs' reasoning capability to tackle complex programming tasks, such as debugging and patching. His interdisciplinary research has been published in top-tier conferences of software engineering, programming languages, natural language processing, and machine learning. He won an ACM SIGSOFT Distinguished Paper Award, an IEEE TSE Best Paper Runner-up, and received an IBM Ph.D. Fellowship.
Location:
NCS 120

Abstract: Generative visual models like Stable Diffusion and Sora generate photorealistic images and videos that are nearly indistinguishable from real ones to a naive observer. However, their grasp of the physical world remains an open question: Do they understand 3D geometry, light, and object interactions, or are they mere pixel parrots of their training data? Through systematic probing, I will demonstrate that these models surprisingly learn fundamental scene properties--intrinsic images such as surface normals, depth, albedo, and shading (à la Barrow & Tenenbaum, 1978)--without explicit supervision, which enables applications like image relighting. But I will also show that this knowledge is insufficient. Careful analysis reveals unexpected failures: inconsistent shadows, multiple vanishing points, and scenes that defy basic physics. All these findings suggest these models excel at local texture synthesis but struggle with global reasoning: a crucial gap between imitation and true understanding. I will then conclude by outlining a path toward generative world models that emulate global and counterfactual reasoning, causality, and physics.

Bio: Anand Bhattad is a Research Assistant Professor at the Toyota Technological Institute at Chicago. He earned his PhD from the University of Illinois Urbana-Champaign in 2024 under the mentorship of David Forsyth. His research interests lie at the intersection of computer vision and computer graphics, with a current focus on understanding the knowledge encoded in generative models. Anand has received Outstanding Reviewer honors at ICCV 2023 and CVPR 2021, and his CVPR 2022 paper was nominated for a Best Paper Award. He actively contributes to the research community by leading workshops at CVPR and ECCV, including Scholars and Big Models: How Can Academics Adapt? (CVPR 2023), CV 20/20: A Retrospective Vision (CVPR 2024), Knowledge in Generative Models (ECCV 2024), and How to Stand Out in the Crowd? (CVPR 2025). For more details, visit https://anandbhattad.github.io/


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.
CSE 656 Seminars in Computer Vision - Wednesdays 11:30am-12:50pm, Room NCS 120

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 CSE656. 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.

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.

HPCortex - a new, general-purpose machine learning library for HPC

Abstract: I will introduce HPCortex, a lightweight, C++, MPI-native machine-learning library for heterogeneous HPC systems. It implements many common architecture patterns including transformers, graph neural networks, and convolutional networks, and delivers performance portability across NVIDIA, AMD, and Intel GPUs while depending only on MPI and standard compiler/BLAS stacks. I will illustrate its capabilities via a surrogate model for the RHIC AGS Booster digital twin, a simple GNN for a coupled spring system, and a compact language model, then outline the roadmap.

Biography: Christopher is a research scientist and head of the Scientific Computing Applications Group in the Computational Science Department at Brookhaven National Laboratory. Previously he was an assistant staff scientist in the Physics Dept. at Columbia University, and held physics postdoctoral research positions at both Brookhaven and Columbia. He earned his Ph.D in Theoretical Physics from the University of Edinburgh, UK.
His scientific background is in lattice QCD and high performance computing, but since joining Brookhaven in 2020 his research interests have expanded to include machine learning, applied mathematics and performance analysis, with a particular emphasis on building tools to support scientific research on HPC systems.

Location: CDS, Bldg. 725, Training Room

Join ZoomGov Meeting: https://bnl.zoomgov.com/j/1604143373?pwd=hHT2yaIjahBIQ6tieURFqs8Pwex9gU.1

Meeting ID: 160 414 3373
Passcode: 277410

How Language Makes us Smart (without Big Data) presented by Charles Yang

Abstract: Language provides the glue that combines simpler concepts into complex ones. To study how language guides conceptual development, we need precise accounts of how rules are learned from the child's linguistic experience, which is extremely limited in comparison to the amount of data available to current machine learning methods. In this talk, I discuss a mathematical model of inductive generalization, which enables language learning with very small amount of data. Such a view of learning has strong implications for the cross-cultural/linguistic variation of development. As a case study, I show that Hong Kong children learning Cantonese, which has a relatively simpler formal counting system, develop understanding of symbolic numbers a full year ahead of English-learning children in the United States, which is precisely predictable from the learning model. The new conception of learning adds another wrinkle to the eternal question of how language and thought are related to each other.

Bio: Charles Yang studied at the MIT AI lab and now teaches linguistics, computer science and psychology and directs the Program in Cognitive Science at the University of Pennsylvania. He is the author of several books: The Price of Linguistic Productivity (2016 MIT Press) won the Leonard Bloomfield Award from the Linguistic Society of America. His honors include a Guggenheim fellowship.
Abstract: DeepSeek-R1-Zero has shown that reinforcement learning (RL) at scale can directly enhance the reasoning capabilities of LLMs without supervised fine-tuning. In this work, we critically examine R1-Zero-like training by analyzing its two core components: base models and RL. We investigate a wide range of base models, including DeepSeek-V3-Base, to understand how pretraining characteristics influence RL performance. Our analysis reveals that DeepSeek-V3-Base already exhibit ''Aha moment'', while Qwen2.5 base models demonstrate strong reasoning capabilities even without prompt templates, suggesting potential pretraining biases. Additionally, we identify an optimization bias in Group Relative Policy Optimization (GRPO), which artificially increases response length (especially for incorrect outputs) during training. To address this, we introduce Dr. GRPO, an unbiased optimization method that improves token efficiency while maintaining reasoning performance. Leveraging these insights, we present a minimalist R1-Zero recipe that achieves 43.3% accuracy on AIME 2024 with a 7B base model, establishing a new state-of-the-art.

Speaker: Md. Saqib Hasan

Location: CS2311
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