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González, Jorge; Chapman, Theodore; Chen, Kathryn; Nguyen, Hannah; Chambers, Logan; Wang, Jianwu; Mostafa, Seraj; Purushotham, Sanjay; Wang, Chenxi; Yue, Jia (, 9th IEEE/ACM International Conference on Big Data Computing, Applications and Technologies (BDCAT 2022))Atmospheric gravity waves are produced when gravity attempts to restore disturbances through stable layers in the atmosphere. They have a visible effect on many atmospheric phenomena such as global circulation and air turbulence. Despite their importance, however, little research has been conducted on how to detect gravity waves using machine learning algorithms. We faced two major challenges in our research: our raw data had a lot of noise and the labeled dataset was extremely small. In this study, we explored various methods of preprocessing and transfer learning in order to address those challenges. We pre-trained an autoencoder on unlabeled data before training it to classify labeled data. We also created a custom CNN by combining certain pre-trained layers from the InceptionV3 Model trained on ImageNet with custom layers and a custom learning rate scheduler. Experiments show that our best model outperformed the best performing baseline model by 6.36% in terms of test accuracy.more » « less
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Praetorius, Florian; Leung, Philip J.; Tessmer, Maxx H.; Broerman, Adam; Demakis, Cullen; Dishman, Acacia F.; Pillai, Arvind; Idris, Abbas; Juergens, David; Dauparas, Justas; et al (, Science)In nature, proteins that switch between two conformations in response to environmental stimuli structurally transduce biochemical information in a manner analogous to how transistors control information flow in computing devices. Designing proteins with two distinct but fully structured conformations is a challenge for protein design as it requires sculpting an energy landscape with two distinct minima. Here we describe the design of “hinge” proteins that populate one designed state in the absence of ligand and a second designed state in the presence of ligand. X-ray crystallography, electron microscopy, double electron-electron resonance spectroscopy, and binding measurements demonstrate that despite the significant structural differences the two states are designed with atomic level accuracy and that the conformational and binding equilibria are closely coupled.more » « less
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