Adversarially Robust Imitation Learning. - Jianren Wang; Ziwen Zhuang; Yuyang Wang 005; Hang Zhao (CoRL, 2021)

Airfoil GAN: Encoding and Synthesizing Airfoils forAerodynamic-aware Shape Optimization. - Yuyang Wang 005; Kenji Shimada; Amir Barati Farimani (CoRR, 2021)

Deep Reinforcement Learning Optimizes Graphene Nanopores for Efficient Desalination. - Yuyang Wang 005; Zhonglin Cao; Amir Barati Farimani (CoRR, 2021)

MolCLR: Molecular Contrastive Learning of Representations via Graph Neural Networks. - Yuyang Wang 005; Jianren Wang; Zhonglin Cao; Amir Barati Farimani (CoRR, 2021)

AugLiChem: Data Augmentation Library ofChemical Structures for Machine Learning. - Rishikesh Magar; Yuyang Wang 005; Cooper Lorsung; Chen Liang; Hariharan Ramasubramanian; Peiyuan Li; Amir Barati Farimani (CoRR, 2021)

Deep reinforcement learning for predicting kinetic pathways to surface reconstruction in a ternary alloy. - Junwoong Yoon; Zhonglin Cao; Rajesh K. Raju; Yuyang Wang 005; Robert Burnley; Andrew J. Gellman; Amir Barati Farimani; Zachary W. Ulissi (Mach. Learn. Sci. Technol., 2021)

Crystal Twins: Self-supervised Learning for Crystalline Material Property Prediction. - Rishikesh Magar; Yuyang Wang 005; Amir Barati Farimani (CoRR, 2022)

TransPolymer: a Transformer-based Language Model for Polymer Property Predictions. - Changwen Xu; Yuyang Wang 005; Amir Barati Farimani (CoRR, 2022)

Graph Neural Networks for Molecules. - Yuyang Wang 005; Zijie Li; Amir Barati Farimani (CoRR, 2022)

Predicting CO2 Absorption in Ionic Liquids with Molecular Descriptors and Explainable Graph Neural Networks. - Yue Jian; Yuyang Wang 005; Amir Barati Farimani (CoRR, 2022)

MOFormer: Self-Supervised Transformer model for Metal-Organic Framework Property Prediction. - Zhonglin Cao; Rishikesh Magar; Yuyang Wang 005; Amir Barati Farimani (CoRR, 2022)

Improving Molecular Contrastive Learning via Faulty Negative Mitigation and Decomposed Fragment Contrast. - Yuyang Wang 005; Rishikesh Magar; Chen Liang; Amir Barati Farimani (J. Chem. Inf. Model., 2022)

Molecular contrastive learning of representations via graph neural networks. - Yuyang Wang 005; Jianren Wang; Zhonglin Cao; Amir Barati Farimani (Nat. Mach. Intell., 2022)

AugLiChem: data augmentation library of chemical structures for machine learning. - Rishikesh Magar; Yuyang Wang 005; Cooper Lorsung; Chen Liang; Hariharan Ramasubramanian; Peiyuan Li; Amir Barati Farimani (Mach. Learn. Sci. Technol., 2022)

Denoise Pre-training on Non-equilibrium Molecules for Accurate and Transferable Neural Potentials. - Yuyang Wang 005; Changwen Xu; Zijie Li; Amir Barati Farimani (CoRR, 2023)

Neural Network Predicts Ion Concentration Profiles under Nanoconfinement. - Zhonglin Cao; Yuyang Wang 005; Cooper Lorsung; Amir Barati Farimani (CoRR, 2023)

Airfoil GAN: encoding and synthesizing airfoils for aerodynamic shape optimization. - Yuyang Wang 005; Kenji Shimada; Amir Barati Farimani (J. Comput. Des. Eng., 2023)