2021 Annual Meeting

Session: Innovations in Methods of Data Science

Chair

White, A., University of Rochester

Co-Chair

Rangarajan, S., Lehigh University - Dept of Chem & Biomolecular

Presentations

03:30 PM

(203a) The Euler Characteristic: A General Topological Descriptor for Complex Data

03:45 PM

(203b) Machine Learning + Automated Reasoning for Theory Discovery

04:00 PM

(203c) Characterizing Uncertainty and Error in Machine Learning Chemical Property Prediction

04:15 PM

(203d) Giving Attention to Generative Models for De Novo Molecular Design

04:30 PM

(203e) Improving Data Sub-Selection for Supervised Tasks with Principal Covariates Regression

04:45 PM

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

05:15 PM

(203h) Deep Learning-Assisted Analysis of Anomalous Nanoparticle Surface Diffusion in Liquid Phase Transmission Electron Microscopy

05:30 PM

(203i) A Principal Component Normalizing Flow for Modeling Renewable Electricity Generation