AI Innovation Institute

Johannes Hachmann, University of Buffalo Assistant Professor of Chemical Engineering presents Making Machine Learning Work in Chemistry

The use of modern machine learning, informatics and data mining approaches is a relatively new development in the chemical and materials domain. These techniques have been exceedingly successful in other application fields, and since there is no fundamental reason why they should not have a similarly transformative impact on chemical and materials research, there is now a concerted effort by the community to introduce data science in this new context. However, adapting techniques from other application domains for the study of chemical and materials systems requires a substantial rethinking and redevelopment of the existing methods.

In this presentation, we will discuss our work on designing advanced, physics-infused neural network architectures, the fusion of unsupervised clustering with supervised regression for local ensemble models, active and transfer learning techniques, bootstrapping approaches to minimize our training data footprint, methods to increase the applicability domain of data-derived models and automated hyperparameter optimization.

Biosketch: Johannes Hachmann is an Assistant Professor of Chemical Engineering at the University at Buffalo (UB), the Director of the Engineering Science in Data Science graduate program, a Core Member of the UB Computational and Data-Enabled Science and Engineering graduate program, and a Faculty Member of the New York State Center of Excellence in Materials Informatics. He earned a Dipl.-Chem. degree (2004) after undergraduate studies at the universities of Jena and Cambridge, M.Sc. (2007) and Ph.D. (2010) degrees in Chemistry from Cornell University, and he conducted postdoctoral research at Harvard University before joining the UB faculty in 2014. The research of the Hachmann Group fuses (first-principles) molecular and materials modeling with virtual high-throughput screening and modern data science (i.e., the use of database technology, machine learning and informatics) to advance a data-driven discovery and rational design paradigm in the chemical and materials disciplines. One of the centerpieces of the group's efforts is the creation of an open, general-purpose software ecosystem for the data-driven design of chemical systems and the exploration of chemical space. This work was recognized with a 2018 NSF CAREER Award.

Topic: AI Seminar: Stanley Bak
Time: Monday Nov 1, 2021 12:00 PM Eastern Time (US and Canada)

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https://stonybrook.zoom.us/j/91227496273?pwd=M3EyUDlzK3Vzd2pDOGpDU1ZjN0k1UT09

Abstract: The field of formal verification has traditionally looked at proving properties about finite state machines or software programs. The surge in deep learning has been accompanied by a surge of progress in trying to apply mathematical and algorithmic techniques to prove things about the function being computed by a neural network.

This talk formalizes the neural network verification problem and describes technical methods for neural network verification based on reachability analysis. Improvements to analysis efficiency will be given, as well as research directions for further exploration. We also include an objective comparison performed this last summer trying to evaluate the best existing verification methods in terms of speed and network size. The competition was performed on common hardware and involved the participation of twelve international teams (the tool authors) on a common set of benchmarks. 

Biography: Stanley Bak is an assistant professor in the Department of Computer Science at Stony Brook University investigating the verification of autonomy, cyber-physical systems, and neural networks. He strives to develop practical formal methods that are both scalable and useful, which demands developing new theory, programming efficient tools and building experimental systems.
Stanley Bak received a Bachelor's degree in Computer Science from Rensselaer Polytechnic Institute (RPI) in 2007 (summa cum laude), and a Master's degree in Computer Science from the University of Illinois at Urbana-Champaign (UIUC) in 2009. He completed his PhD from the Department of Computer Science at UIUC in 2013. He received the Founders Award of Excellence for his undergraduate research at RPI in 2004, the Debra and Ira Cohen Graduate Fellowship from UIUC twice, in 2008 and 2009, and was awarded the Science, Mathematics and Research for Transformation (SMART) Scholarship from 2009 to 2013. From 2013 to 2018, Stanley was a Research Computer Scientist at the US Air Force Research Lab (AFRL), both in the Information Directorate in Rome, NY, and in the Aerospace Systems Directorate in Dayton, OH. He helped run Safe Sky Analytics, a research consulting company investigating verification and autonomous systems, and performed teaching at Georgetown University before joining Stony Brook University as an assistant professor in Fall 2020.

Join CELT on Tuesday, March 31 for a focused, one-hour overview on how to redesign and future-proof assessments in the age of AI! This session will cover three key areas: leveraging AI as a co-pilot for developing effective exam questions, designing authentic assessments, and exploring how AI can strategically support active learning structures like Team-Based Learning (TBL), Project-Based Learning (PBL), and Scenario-Based Learning (SBL).

Register here.

Place:  https://stonybrook.zoom.us/j/99167126152?pwd=TFpEYzM0aFhiOFJxSFJEb1JSS3YyQT09  

Time: 3 PM EST - Dec, 16th, 2020 

Abstract: 

Shadows provide useful cues to analyze visual scenes but also hamper many computer vision algorithms such as image segmentation, object detection, or tracking. For those reasons, shadow detection and shadow removal have been well-studied in computer vision.

Early work on shadow detection and removal focused on physical illumination models of shadows. These methods can express, identify, and remove shadows in a physically plausible manner. However, these models are often hard to optimize and are slow during inference due to their reliance on hand-designed image features. Recently, deep-learning approaches have achieved breakthroughs in performance for both shadow detection and removal. They learn to extract useful features through training while being extremely efficient during inference. However, these models are data-dependent, opaque, and ignore the physical aspects of shadows. Thus they often lack generalization and produce inconsistent results.

We propose incorporating physical illumination constraints of shadows into deep-learning models. These constraints force the networks to more closely follow the physics of shadows, enabling them to systematically and realistically modify shadows in images. For shadow detection, we present a novel Generative Adversarial Network (GAN) based model where the generator learns to generate images with realistic attenuated shadows that can be used to train a shadow detector. For shadow removal, we propose a method that uses deep-networks to estimate the unknown parameters of a shadow image formation model that removes shadows. The system outputs high-quality shadow-free images with little or no image artifacts and achieves state-of-the-art performance in shadow removal when trained on a fully-supervised setting. Moreover, the system is easy to train and constrain since the shadow removal mapping is strictly defined by the simplified illumination model with interpretable parameters. Thus, it can be trained even with a much weaker form of supervision signal. In particular, we show that we can use two sets of patches, shadow and shadow-free, to train our shadow decomposition framework via an adversarial system. These patches are cropped from the shadow images themselves.
Therefore, this is the first deep-learning method for shadow removal that can be trained without any shadow-free images, providing an alternative solution to the paired data dependency issue. The advantage of this training scheme is even more pronounced when tested on a novel domain such as video shadow removal where the method can be fine-tuned on a testing video with only the shadow masks generated by a pre-trained shadow detector and further improves shadow removal results.

Abstract: Visual generation is a fundamental problem in computer vision and graphics, with applications ranging from 3D capture to content creation and image/video synthesis. Despite rapid progress in neural rendering and generative models, efficiency remains a key obstacle in practice: high-quality 3D reconstruction often depends on dense multi-view supervision; scalable 3D synthesis faces heavy optimization, training, and rendering costs; and modern image/video generators incur substantial computation as token grids grow with spatial resolution and temporal length.
This thesis targets efficient visual world modeling by improving sample efficiency in 3D reconstruction, representation efficiency in 3D generation, and computational efficiency in image/video synthesis. First, we improve sample efficiency for neural implicit surface reconstruction under sparse views by integrating multi-view stereo probability volumes as a geometric regularizer, enabling high-quality reconstruction from as few as three input images. Next, we introduce an explicit 3D representation for 3D generation, built from multi-view depth and RGB predictions with 3D Gaussian features, which enables the use of 2D generative priors while enforcing multi-view consistency via epipolar attention. We then address the computational bottleneck of image and video synthesis with importance-based token merging, using importance signals available during generation to preserve critical information while merging redundant tokens. Finally, we propose efficient mixed-resolution diffusion transformers via cross-resolution phase-aligned attention, aiming to improve attention stability under mixed token grids and support high-fidelity mixed-resolution generation.

Speaker: Haoyu Wu

Location: NCS120

The IEEE / CVF Computer Vision and Pattern Recognition Conference (CVPR) is the premier annual computer vision event comprising the main conference and several co-located workshops and short courses. With its high quality and low cost, it provides an exceptional value for students, academics and industry researchers.



Location: Colorado Convention Center

Abstract: The landscape of machine learning evolves rapidly and the complexity of the networks and their architectures defies easy comprehension. AI is touted as the next scientific revolution by allowing the processing and pattern-finding in increasingly massive data sets. One potential end results could be AI enhanced measurement technologies, but what does that mean? This talk will give examples of how classical tools indicate the technical obstacles to this vision in terms of understanding training processes, model comparisons, and feature embeddings. While the results in this talk are largely empirical, they point to interesting directions for (infomation?) theoretical investigation.

Bio: Anand D. Sarwate is an Associate Professor in the Electrical and Computer Engineering Department at Rutgers, The State University of New Jersey. He received B.S. degrees in math and electrical engineering from MIT and a Ph.D. in electrical engineering from UC Berkeley. Prior to joining Rutgers he was a Research Assistant Professor at TTI-Chicago and a postdoc at the ITA Center at UC San Diego. His research interests include information theory, machine learning, signal processing, optimization, and privacy and security.
Location: Light Engineering 250

IACS Research Theme: Human Centered Computing Seminar

Abstract: The AI art platform Artbreeder hosts daily remix parties where users build on each other's work, creating transparent evolutionary chains of images from a single seed. This study analyzes 130,882 images from 368 remix parties to identify the drivers of novelty, complexity, and competitive success. The results reveal an interesting tension: while more novel parent images produce more novel and complex children and attract more likes, users paradoxically prefer to remix images that are less novel and complex. At the group level, larger remix parties produce more novelty at the cost of lower complexity. Additionally, images tend to converge towards common thematic attractors (e.g., steampunk scenes, alien architecture, furries) over the course of remix parties. These results provide quantitative insights into collective creativity--the production of novelty by groups of people--a typically opaque aspect of human cultural evolution.

Speaker: Dr. Mason Youngblood

Location: Institute for Advanced Computational Science, Seminar Room

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.