Neural Network Reparametrization for Accelerated Optimization in Molecular SimulationsNima DehmamyCsaba Bothet al.2024NeurIPS 2024
Geometry of naturalistic object representations in recurrent neural network models of working memoryXiaoxuan LeiTaku Itoet al.2024NeurIPS 2024
Hybrid quantum-classical graph neural networks for tumor classification in digital pathologyAnupama RayDhiraj Madanet al.2024QCE 2024
Quantum Theory and Application of Contextual Optimal TransportNicola MariellaAlbert Akhrievet al.2024ICML 2024
Harnessing Remote Speech Tasks for Early ALS Biomarker IdentificationCarla Agurto RiosMichele Merleret al.2024ICDH 2024
Conformal Autoregressive Generation: Beam Search with Coverage GuaranteesNicolas DeutschmannMarvin Albertset al.2024AAAI 2024
Knowledge enhanced representation learning for drug discoveryLam Thanh HoangMarco Luca Sbodioet al.2024AAAI 2024
Pre-Training Protein Encoder via Siamese Sequence-Structure Diffusion Trajectory PredictionZuobai ZhangMinghao Xuet al.2023NeurIPS 2023
Accelerating Material Design with the Generative Toolkit for Scientific Discovery (GT4SD)Matteo ManicaJoris Cadowet al.2022ACS Fall 2022
Combining physics-based modeling and graph neural networks for drug discoveryJoseph Morrone2022ACS Fall 2022