2023 AIChE Annual Meeting

Session: Advances in machine learning and intelligent systems I

Chair

Mingjian Wen, University of Houston

Co-Chair

Wentao Tang, University of Minnesota

Presentations

03:30 PM

(95a) A Novel Approach for VOC Emission Characteristics Identification Based on Deep Learning and Its Application in Source Tracing of a Chemical Industrial Park
Deji Jing

03:51 PM

(95b) Bayesian Optimization for Nonlinear Model and Force Field Calibration
Ning Wang, Montana Carlozo, Bridgette Befort, Edward Maginn, Alexander Dowling

04:12 PM

(95c) AI-Driven Hypergraph Network of Organic Chemistry: Applications in Reaction Classification
Vipul Mann, Venkat Venkatasubramanian

04:33 PM

(95d) Machine Learning Full Elastic Tensors of Inorganic Materials with Equivariant Neural Networks
Mingjian Wen

04:54 PM

(95e) Automated Mechanism-Based Explanation Generation of Machine Learning Models
Arijit Chakraborty, Venkat Venkatasubramanian

05:15 PM

(95f) Automating the Search for New Drugs: From Prediction to Characterization and Back Again
Matthew A. McDonald, Brent Koscher, Richard Canty, Frank Lee, Klavs Jensen

05:36 PM

(95g) A Compressed Sensing Framework for Learning Interpretable Molecular Property Models from Limited Data: Application to Discovery of Sustainable Battery Materials
Farshud Sorourifar, Madhav Muthyala, Joel Paulson