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cs.LG2022
Zeroth-Order SciML: Non-intrusive Integration of Scientific Software with Deep Learning
Ioannis Tsaknakis, Bhavya Kailkhura, Sijia Liu +4
Using deep learning (DL) to accelerate and/or improve scientific workflows can yield discoveries that are otherwise impossible. Unfortunately, DL models have yielded limited succes…
cond-mat.mtrl-sci2022★ 2 cited
Representing Polymers as Periodic Graphs with Learned Descriptors for Accurate Polymer Property Predictions
Evan R. Antoniuk, Peggy Li, Bhavya Kailkhura +1
One of the grand challenges of utilizing machine learning for the discovery of innovative new polymers lies in the difficulty of accurately representing the complex structures of p…