2022 Annual Meeting

Session: Innovations in Methods of Data Science

Chair

Shuwen Yue, Princeton University

Co-Chairs

Srinivas Rangarajan, Lehigh University - Dept of Chem & Biomolecular

Presentations

03:31 PM

(416a) Global Systems Analysis Using Deep Learning on Industrially Relevant Large Datasets
Adem Aouichaoui, Gurkan Sin

03:47 PM

(416b) Uncertainty Quantification for Molecular Property Predictions Using Automatic Graph Neural Architecture Search
Victor Zavala, Shengli Jiang, Shiyi Qin, Reid Van Lehn, Prasanna Balaprakash

04:03 PM

(416c) Projecting the Effectiveness of Deep Ensembles
Charles McGill, William Green

04:19 PM

(416d) Automatic Strain Sensor Design Via Active Learning and Data Argumentation for Soft Machines
Po-Yen Chen, Tianle Chen

04:35 PM

(416e) A Framework for the Statistical Value of Extreme Points for Function Approximation
Arijit Chakraborty, Krishnan Kumaran, Venkat Venkatasubramanian

04:56 PM

(416f) Graph Hysteria – Comparing the Generative Performance of Graph and String-Based Translation Vaes for Molecular Design
Orion Dollar, Nisarg Joshi, David Beck, Jim Pfaendtner

05:12 PM

(416g) Extending Bigsmiles to Non-Covalent Bonds in Supramolecular Polymer Assemblies
Weizhong Zou, Bradley Olsen, Alexis Martell-Monterroza, Yunxin Yao, S. Cem Milik, Morgan Cencer, Nathan Rebello, Haley Beech, Melody Morris, Tzyy-Shyang Lin, Julia Kalow, Stephen Craig, Alshakim Nelson, Jeffrey Moore, Cleotilde Castano

05:28 PM

(416h) Formal Proofs in the Chemical Sciences Using the Lean Theorem Prover
Parivash Feyzishendi, Tyler R. Josephson, Maxwell P. Bobbin, Catherine M. Wraback, Samiha Sharlin

05:44 PM

(416i) Machine Learning with Differential Equation Priors
Aditi Krishnapriyan