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DTSTART;TZID=America/Detroit:20241004T120000
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DTSTAMP:20260604T144223
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SUMMARY:FSML Lecture Series: Tokenization for Chemistry by Alex Wadell\, University of Michigan
DESCRIPTION:Alex Wadell is a PhD candidate at the University of Michigan Department of Mechanical Engineering. \nTokenization for Chemistry\nMolecular Foundation Models are emerging as a powerful tool for molecular design\, material science\, and cheminformatics. By leveraging the transformer architecture\, these models attempt to learn the language of chemistry and discover robust molecular embeddings. However\, current models are constrained by tokenizers that fail to capture the full breadth of chemical space or even the periodic table of elements. In his talk\, Alex will introduce smirk\, a new tokenizer for molecular foundation models that can represent the entirety of the OpenSMILES specification. We’ll also discuss performance metrics for tokenizers and the results of Alex’s systematic evaluation of thirteen chemistry-specific tokenizers using N-gram language models as a low-cost proxy for transformer models. \nIf you are unable to attend in person but are interested\, please feel free to join virtually. \nJoin Zoom Meeting\nhttps://umich.zoom.us/j/97823527756?pwd=H01BbvtuG5q02Wzb8LJvhUnvijlAIe.1\nMeeting ID: 978 2352 7756\nPasscode: 2024
URL:https://micde.umich.edu/event/lecture-discussionsciml-lecture-series/
LOCATION:Walter E Lay Auto Lab – 2052
CATEGORIES:FSML,Micde,Sciml
ATTACH;FMTTYPE=image/png:https://micde.umich.edu/wp-content/uploads/2024/10/SciML-Lectures-e1727980667262.png
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SUMMARY:FSML Lecture Series: Domain decomposition and coupling data-driven models of fluid flows by Christopher Wentland\, Sandia National Labs
DESCRIPTION:Zoom link \n \nAbstract: Simulating complex physical systems often requires joining non-uniform subsystems\, which may be characterized by different geometries or mesh topologies. Coupling these separate subsystems often relies on time-intensive meshing workflows or empirical coupling models\, which may not generalize well across all operational regimes. The Schwarz alternating method proposes to overcome these issues\, establishing an effective domain decomposition framework that allows for the coupling of arbitrary geometries. This talk presents a brief history of Schwarz-based coupling work at Sandia National Laboratories\, along with recent work on combining the Schwarz alternating method with data-driven modeling approaches\, namely projection-based reduced order models (PROMs) and operator inference. This approach can generate surrogates that are capable of simulating advection-dominated fluid flows with higher accuracy and lower cost than comparable monolithic models\, aiding analysis in many-query applications such as uncertainty quantification and engineering design. Several nuances of the Schwarz algorithm and their impacts on model performance are explored\, specifically non-overlapping decompositions and PROM hyper-reduction under domain decomposition. A look into ongoing Schwarz coupling work at Sandia discusses existing challenges and efforts to apply this approach to relevant engineering problems.
URL:https://micde.umich.edu/event/lecture-discussionsciml-lecture-series-6/
LOCATION:2636 GGBA\, 2350 Hayward St\, Ann Arbor\, MI\, United States
CATEGORIES:Engineering,FSML,Science
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