3 papers
cond-mat.soft2025
Understanding Structural Representation in Foundation Models for Polymers
Nathaniel H. Park, Eduardo Soares, Victor Y. Shirasuna +3
From the relative scarcity of training data to the lack of standardized benchmarks, the development of foundation models for polymers face significant and multi-faceted challenges.…
cs.LG2025
Towards a Foundation Model for Partial Differential Equations Across Physics Domains
Eduardo Soares, Emilio Vital Brazil, Victor Shirasuna +2
We present PDE-FM, a modular foundation model for physics-informed machine learning that unifies spatial, spectral, and temporal reasoning across heterogeneous partial differential…
cs.CE2024
SELF-BART : A Transformer-based Molecular Representation Model using SELFIES
Indra Priyadarsini, Seiji Takeda, Lisa Hamada +3
Large-scale molecular representation methods have revolutionized applications in material science, such as drug discovery, chemical modeling, and material design. With the rise of…