3 papers
cs.LG2025
XxaCT-NN: Structure Agnostic Multimodal Learning for Materials Science
Jithendaraa Subramanian, Linda Hung, Daniel Schweigert +2
Recent advances in materials discovery have been driven by structure-based models, particularly those using crystal graphs. While effective for computational datasets, these models…
cs.LG2025
Context is Key: A Benchmark for Forecasting with Essential Textual Information
Andrew Robert Williams, Arjun Ashok, Ãtienne Marcotte +8
Forecasting is a critical task in decision-making across numerous domains. While historical numerical data provide a start, they fail to convey the complete context for reliable an…
cs.LG2024
Reinforcement Learning for Sequence Design Leveraging Protein Language Models
Jithendaraa Subramanian, Shivakanth Sujit, Niloy Irtisam +4
Protein sequence design, determined by amino acid sequences, are essential to protein engineering problems in drug discovery. Prior approaches have resorted to evolutionary strateg…