Regression Transformer: Concurrent Conditional Generation and Regression by Blending Numerical and Textual TokensJannis BornMatteo Manica2022ICLR 2022
Fine-Tuned MLP-Mixers as data-driven Numerical Surrogates?Imran NasimJoao Lucas de Sousa Almeida2024NeurIPS 2024
Memorization to Generalization: The Emergence of Diffusion Models from Associative MemoryBao PhamGabriel Rayaet al.2024NeurIPS 2024
A Large Encoder-Decoder Polymer-Based Foundation ModelEduardo Almeida SoaresNathaniel Parket al.2024NeurIPS 2024
A Mamba-Based Foundation Model for ChemistryEmilio Ashton Vital BrazilEduardo Almeida Soareset al.2024NeurIPS 2024
Multi-View Mixture-of-Experts for Predicting Molecular Properties Using SMILES, SELFIES, and Graph-Based RepresentationsEduardo Almeida SoaresIndra Priyadarsini Set al.2024NeurIPS 2024
Agnostic Causality-Driven Enhancement of Chemical Foundation Models on Downstream TasksVictor ShirasunaEduardo Almeida Soareset al.2024NeurIPS 2024
Towards Using Large Language Models and Deep Reinforcement Learning for Inertial Fusion EnergyVadim ElisseevMax Espositoet al.2024NeurIPS 2024