Differentiable sampling of molecular geometries with uncertainty-based adversarial attacks von Schwalbe-Koda, Daniel, Tan, Aik Rui, Gómez-Bombarelli, Rafael

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Single-model uncertainty quantification in neural network potentials does not consistently outperform model ensembles von Tan, Aik Rui, Urata, Shingo, Goldman, Samuel, Dietschreit, Johannes C. B., Gómez-Bombarelli, Rafael

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Collective variable discovery and enhanced sampling using autoencoders: Innovations in network architecture and error function design von Chen, Wei, Tan, Aik Rui, Ferguson, Andrew L.

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Representations of Materials for Machine Learning von Damewood, James, Karaguesian, Jessica, Lunger, Jaclyn R, Tan, Aik Rui, Xie, Mingrou, Peng, Jiayu, Gómez-Bombarelli, Rafael

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Suppression of Rayleigh Scattering in Silica Glass by Codoping Boron and Fluorine: Molecular Dynamics Simulations with Force-Matching and Neural Network Potentials von Urata, Shingo, Nakamura, Nobuhiro, Tada, Tomofumi, Tan, Aik Rui, Gómez-Bombarelli, Rafael, Hosono, Hideo

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Graph theory-based structural analysis on density anomaly of silica glass von Tan, Aik Rui, Urata, Shingo, Yamada, Masatsugu, Gómez-Bombarelli, Rafael

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Single-model uncertainty quantification in neural network potentials does not consistently outperform model ensembles von Aik Rui Tan, Urata, Shingo, Goldman, Samuel, Dietschreit, Johannes C B, Gómez-Bombarelli, Rafael

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Modifying ring structures in lithium borate glasses under compression: MD simulations using a machine-learning potential von Urata, Shingo, Tan, Aik Rui, Gómez-Bombarelli, Rafael

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Differentiable sampling of molecular geometries with uncertainty-based adversarial attacks von Schwalbe-Koda, Daniel, Aik Rui Tan, Gómez-Bombarelli, Rafael

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Enhanced sampling of robust molecular datasets with uncertainty-based collective variables von Tan, Aik Rui, Dietschreit, Johannes C. B, Gomez-Bombarelli, Rafael

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Graph theory-based structural analysis on density anomaly of silica glass von Tan, Aik Rui, Urata, Shingo, Yamada, Masatsugu, Gómez-Bombarelli, Rafael

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Representations of Materials for Machine Learning von Damewood, James, Karaguesian, Jessica, Lunger, Jaclyn R, Tan, Aik Rui, Xie, Mingrou, Peng, Jiayu, Gómez-Bombarelli, Rafael

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Enhanced sampling of robust molecular datasets with uncertainty-based collective variables von Aik Rui Tan, Dietschreit, Johannes C B, Gomez-Bombarelli, Rafael

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Graph theory-based structural analysis on density anomaly of silica glass von Aik Rui Tan, Urata, Shingo, Yamada, Masatsugu, Gómez-Bombarelli, Rafael

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Graph theory-based structural analysis on density anomaly of silica glass von Tan, Aik Rui, Urata, Shingo, Yamada, Masatsugu, Gómez-Bombarelli, Rafael

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Differentiable sampling of molecular geometries with uncertainty-based adversarial attacks von Schwalbe-Koda, Daniel, Tan, Aik Rui, Gómez-Bombarelli, Rafael

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Representations of Materials for Machine Learning von Damewood, James, Karaguesian, Jessica, Lunger, Jaclyn R, Aik Rui Tan, Xie, Mingrou, Peng, Jiayu, Gómez-Bombarelli, Rafael

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Submarine Cable-Based Distributed Acoustic Sensing for Tide Monitoring von Hu, Dora Juan Juan, Zhang, Hailiang, Dong, Hui, Yue, Meng Fai, Yeow Lum, Kum, Chew, Gary Jia Rui, Tan, Bien Aik

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In Vitro Inhibition of Human Aldehyde Oxidase Activity by Clinically Relevant Concentrations of Gefitinib and Erlotinib: Comparison with Select Metabolites, Molecular Docking Analy... von Tan, Wee Kiat, Tan, Alyssa Rui Yi, Sivanandam, Punitha, Goh, Ernest Jing Hui, Yap, Ze Ping, Saburulla, Nur Fazilah, Austin-Muttitt, Karl, Mullins, Jonathan G.L., Lau, Aik Jiang

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SASH1 S519N Variant Links Skin Hyperpigmentation and Premature Hair Graying to Dysfunction of Melanocyte Lineage von Lambert, Karoline A., Clements, Christopher M., Mukherjee, Nabanita, Pacheco, Theresa R., Shellman, Samantha X., Henen, Morkos A., Vögeli, Beat, Goldstein, Nathaniel B., Birlea, Stanca, Hintzsche, Jennifer, Caryotakis, Griffin, Tan, Aik-Choon, Zhao, Rui, Norris, David A., Robinson, William A., Wang, Yizhou, VanTreeck, Jillian G., Shellman, Yiqun G.

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