Sample-efficient Generation of Novel Photo-acid Generator Molecules using a Deep Generative ModelSamuel HoffmanVijil Vijilet al.2021NeurIPS 2021
Dynamics-Based Peptide-MHC Binding Optimization by a Convolutional Variational Autoencoder: A Use-Case Model for CASTELODavid R. BellGiacomo Domeniconiet al.2021JCTC
Open Knowledge Graphs Canonicalization using Variational AutoencodersSarthak DashGaetano Rossielloet al.2021EMNLP 2021
Generative adversarial networks for construction of virtual populations of mechanistic models: simulations to study Omecamtiv Mecarbil actionJaimit ParikhTimothy Rumbellet al.2021Journal of Pharmacokinetics and Pharmacodynamics
On the automation of de-novo molecular design and chemical synthesis planning: A case study on SARS-CoV-2Jannis BornMatteo Manicaet al.2021ACS Fall 2021
AI assisted design and synthesis of materials with targeted propertiesVictoria PiunovaDmitry Zubarevet al.2021ACS Fall 2021
Third Workshop on Adversarial Learning Methods for Machine Learning and Data Mining (AdvML 2021)Pin-Yu ChenCho-Jui Hsiehet al.2021KDD 2021
3rd Workshop on Adversarial Learning Methods for Machine Learning and Data MiningPin-Yu ChenCho-Jui Hsiehet al.2021KDD 2021
Domain adaptation for learning generator from paired few-shot dataChun-Chih TengPin-Yu Chenet al.2021ICAS 2021
Self-Supervised Ground-Roll Noise Attenuation Using Self-Labeling and Paired Data SynthesisDário Augusto Borges OliveiraDaniil G. Seminet al.2021IEEE TGRS