2021 Annual Meeting

Session: Innovations in Methods of Data Science

Chair

Andrew White, University of Rochester

Co-Chair

Srinivas Rangarajan, Lehigh University - Dept of Chem & Biomolecular

Presentations

03:30 PM

(203a) The Euler Characteristic: A General Topological Descriptor for Complex Data
Alexander Smith, Victor M. Zavala

03:45 PM

(203b) Machine Learning + Automated Reasoning for Theory Discovery
Tyler Josephson, Vernon Austel, Kenneth A. Clarkson, Cristina Cornelio, Sanjeeb Dash, Bachir El Khadir, Lior Horesh, Sharon Liu, Nimrod Megiddo, Francesca Nacion, Neil Tran, Catherine M. Wraback, Joao Goncalves

04:00 PM

(203c) Characterizing Uncertainty and Error in Machine Learning Chemical Property Prediction
Esther Heid, Charles J. McGill, Florence Vermeire, William Green

04:15 PM

(203d) Giving Attention to Generative Models for De Novo Molecular Design
Orion Dollar, Nisarg Joshi, David Beck, Jim Pfaendtner

04:30 PM

(203e) Improving Data Sub-Selection for Supervised Tasks with Principal Covariates Regression
Rose Cersonsky, Benjamin Helfrecht, Sergei Kliavinek, Edgar A. Engel, Michele Ceriotti

04:45 PM

(203f) Chemical Identification in Multicomponent Electrolytes Using Voltammetry, Physics-Based Modeling, and Bayesian Inference
Alexis Fenton, Fikile Brushett

05:15 PM

(203h) Deep Learning-Assisted Analysis of Anomalous Nanoparticle Surface Diffusion in Liquid Phase Transmission Electron Microscopy
Assaf Ben-Moshe, Vida Jamali, Cory Hargus, Hyun Dong Ha, Kranthi K. Mandadapu, A. Paul Alivisatos

05:30 PM

(203i) A Principal Component Normalizing Flow for Modeling Renewable Electricity Generation
Eike Cramer, Alexander Mitsos, Manuel Dahmen