Abstract:
The combination of scientific models into deep learning structures, commonly referred to as scientific machine learning (SciML), has made great strides in the last few years in incorporating models such as ODEs and PDEs into deep learning through differentiable simulation. However, the vast space of scientific simulation also includes models like jump diffusions, agent-based models, and more. Is SciML constrained to the simple continuous cases or is there a way to generalize to more advanced model forms? This talk will dive into the mathematical aspects of generalizing differentiable simulation to discuss cases like chaotic simulations, differentiating stochastic simulations like particle filters and agent-based models, and solving inverse problems of Bayesian inverse problems (i.e. differentiation of Markov Chain Monte Carlo methods). We will then discuss the evolving numerical stability issues, implementation issues, and other interesting mathematical tidbits that are coming to light as these differentiable programming capabilities are being adopted.
Bio:
Dr. Chris Rackauckas is the VP of Modeling and Simulation at JuliaHub, the Director of Scientific Research at Pumas-AI, Co-PI of the Julia Lab at MIT, and the lead developer of the SciML Open Source Software Organization. For his work in mechanistic machine learning, his work is credited for the 15,000x acceleration of NASA Launch Services simulations and recently demonstrated a 60x-570x acceleration over Modelica tools in HVAC simulation, earning Chris the US Air Force Artificial Intelligence Accelerator Scientific Excellence Award. See more at https://chrisrackauckas.com/. He is the lead developer of the Pumas project and has received a top presentation award at every ACoP in the last 3 years for improving methods for uncertainty quantification, automated GPU acceleration of nonlinear mixed effects modeling (NLME), and machine learning assisted construction of NLME models with DeepNLME. For these achievements, Chris received the Emerging Scientist award from ISoP.
AI/ML @ SUFs Working Group:
The Applied AI/ML Seminar Series is presented with the goal of increasing communication and collaboration between scientists at the three facilities: [Advanced Photon Source (APS), Argonne Tandem Linac Accelerator System (ATLAS) and the Center for Nanoscale Materials (CNM)] and providing a resource for both new and experienced AI/ML practitioners at Argonne National Lab. We plan to host a monthly seminar and tutorial series. Please join the Slack workspace or see the group website for scheduling/resources.
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