Uncertainty Analysis of Molecular Quantum Properties Prediction Using Chemical Foundation ModelsSiya KundeEmilio Ashton Vital Brazilet al.2025ACS Spring 2025
Uncertainty Analysis in Predicting Molecular Properties Using Chemical Foundation ModelsSiya KundeEmilio Ashton Vital Brazilet al.2025AAAI 2025
Enhancing Federated Averaging of Self-Supervised Monocular Depth Estimators for Autonomous Vehicles with Bayesian OptimizationElton Figueiredo de Souza SoaresEmilio Ashton Vital Brazilet al.2025Future Generation Computer Systems
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
SELF-BART : A Transformer-based Molecular Representation Model using SELFIESIndra Priyadarsini SSeiji Takedaet al.2024NeurIPS 2024
Agnostic Causality-Driven Enhancement of Chemical Foundation Models on Downstream TasksVictor ShirasunaEduardo Almeida Soareset al.2024NeurIPS 2024
Advancing Open-Source AI in Chemistry and Materials—From Foundation Models to Integrated Frameworks to Solve Global ChallengesKristin SchmidtEduardo Almeida Soareset al.2024MRS Fall Meeting 2024
Foundation Models and Multi-Agent Systems for Polymer and Catalyst DesignNathaniel ParkTiffany Callahanet al.2024MRS Fall Meeting 2024