The International Conference on Learning Representations (ICLR) is the premier gathering of professionals dedicated to the advancement of the branch of artificial intelligence called representation learning, but generally referred to as deep learning.
ICLR is globally renowned for presenting and publishing cutting-edge research on all aspects of deep learning used in the fields of artificial intelligence, statistics and data science, as well as important application areas such as machine vision, computational biology, speech recognition, text understanding, gaming, and robotics.
ICLR is one of the fastest growing artificial intelligence conferences in the world. Participants at ICLR span a wide range of backgrounds, from academic and industrial researchers, to entrepreneurs and engineers, to graduate students and postdocs.
The rapidly developing field of deep learning is concerned with questions surrounding how we can best learn meaningful and useful representations of data. ICLR takes a broad view of the field and includes topics such as feature learning, metric learning, compositional modeling, structured prediction, reinforcement learning, and issues regarding large-scale learning and non-convex optimization.
A non-exhaustive list of relevant topics explored at the conference include:
- Unsupervised, Semi-supervised, and Supervised Representation Learning
- Representation Learning for Planning and Reinforcement Learning
- Metric Learning and Kernel Learning
- Sparse Coding and Dimensionality Expansion
- Hierarchical Models
- Optimization for Representation Learning
- Learning Representations of Outputs or States
- Implementation Issues, Parallelization, Software Platforms, Hardware
- Applications in Vision, Audio, Speech, Natural Language Processing, Robotics, Neuroscience, or Any Other Field
For more information or registration, please visit the official website.
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
This workshop focuses on how to use AI Deep Research for investigating a topic. Go from a basic search to utilize Gemini and Perplexity to find information. We will show you our steps to evaluate and gain deeper insights from the results.
Register here for the online session.In this dissertation, we address the problem of learning neural representations of humans in a holistic way. Given that the video data in the real world include multiple modalities (e.g., audio and video) and multiple identities, we develop multi-modal and multi-identity representations. First, we propose to reconstruct the 4D face geometry of humans by leveraging both audio and video information. In this way, the network produces accurate lip shapes and is robust to cases when either modality is insufficient. Next, we introduce a NeRF-based representation for audio-driven human face animation that achieves high-quality lip synchronization for cinematic content. Since humans communicate with their full body, combining body pose, hand gestures, and facial expressions, we extend the network to capture full-body human motion for multiple identities simultaneously. In order to better disentangle identity and non-identity specific information, we subsequently study non-linear interactions between latent factors of variation, and propose a specific multiplicative module. In this way, we learn a multi-identity NeRF that robustly animates human faces under novel expressions and achieves a significant decrease in the total training time. Similarly, we propose a multi-identity Gaussian splatting representation for human bodies, by constructing a high-order tensor. Assuming a low-rank structure, we learn a tensor decomposition that leads to a significant decrease in the total number of learnable parameters, as well as to a robust animation under novel poses. Last but not least, we propose to jointly synthesize audio and visual outputs from just text input. Given the recent rise of large language models, coupling text with natural-looking avatars can enhance the overall interaction between a human and an AI system.
Location: NCS 220 or Zoom
passcode: 045476
Notebook LM allows you to interact with multiple sources of information. You can chat or ask follow up questions. Learn how you can gain more insights through these interactions.
Register here.
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.