2022 Annual Meeting

Session: Innovations in Methods of Data Science

Chair

Yue, S., Princeton University

Co-Chairs

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

Presentations

03:31 PM

(416a) Global Systems Analysis Using Deep Learning on Industrially Relevant Large Datasets

03:47 PM

(416b) Uncertainty Quantification for Molecular Property Predictions Using Automatic Graph Neural Architecture Search

04:03 PM

(416c) Projecting the Effectiveness of Deep Ensembles

04:19 PM

(416d) Automatic Strain Sensor Design Via Active Learning and Data Argumentation for Soft Machines

04:35 PM

(416e) A Framework for the Statistical Value of Extreme Points for Function Approximation

04:56 PM

(416f) Graph Hysteria – Comparing the Generative Performance of Graph and String-Based Translation Vaes for Molecular Design

05:12 PM

(416g) Extending Bigsmiles to Non-Covalent Bonds in Supramolecular Polymer Assemblies

05:28 PM

(416h) Formal Proofs in the Chemical Sciences Using the Lean Theorem Prover

05:44 PM

(416i) Machine Learning with Differential Equation Priors